============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 1 1.000 -6.362 20.610 5.435 -99.200 -91.000 TRP 10 1.040 -2.307 7.261 -11.812 -99.200 -91.000 TRP6 10 1.020 -2.426 5.415 -10.348 -99.200 -91.000 HIS 13 0.900 -13.915 3.215 -14.175 -99.200 -91.000 TYR 14 0.840 -10.624 -0.339 -16.313 -99.200 -91.000 TYR 17 0.840 -3.008 -5.932 -6.591 -99.200 -91.000 TYR 22 0.840 5.442 -12.701 -4.616 -99.200 -91.000 TYR 33 0.840 -5.831 -14.551 3.782 -99.200 -91.000 PHE 39 1.000 -3.579 -3.703 -4.142 -99.200 -91.000 TRP 42 1.040 -6.442 1.776 0.570 -99.200 -91.000 TRP6 42 1.020 -6.856 3.890 1.533 -99.200 -91.000 PHE 50 1.000 -8.071 -0.064 -5.930 -99.200 -91.000 PHE 64 1.000 7.694 -7.386 -0.501 -99.200 -91.000 HIS 69 0.900 15.184 0.578 -3.358 -99.200 -91.000 PHE 72 1.000 16.846 8.442 -8.600 -99.200 -91.000 HIS 73 0.900 14.281 4.088 -0.594 -99.200 -91.000 PHE 75 1.000 12.815 0.976 1.848 -99.200 -91.000 HIS 84 0.900 10.543 4.664 -1.130 -99.200 -91.000 PHE 86 1.000 8.471 6.305 -6.701 -99.200 -91.000 HIS 97 0.900 10.024 1.746 -4.554 -99.200 -91.000 PHE 98 1.000 5.410 -2.948 0.756 -99.200 -91.000 PHE 103 1.000 10.664 -12.275 10.463 -99.200 -91.000 TRP 104 1.040 8.650 -6.680 4.776 -99.200 -91.000 TRP6 104 1.020 7.617 -4.603 5.211 -99.200 -91.000 HIS 107 0.900 3.015 -14.345 11.546 -99.200 -91.000 PHE 114 1.000 -5.169 -6.151 5.934 -99.200 -91.000 HIS 119 0.900 1.279 3.915 4.223 -99.200 -91.000 HIS 123 0.900 1.794 7.562 0.801 -99.200 -91.000 HIS 129 0.900 2.126 10.505 5.002 -99.200 -91.000 PHE 138 1.000 -0.457 10.497 12.514 -99.200 -91.000 TYR 141 0.840 2.585 -1.044 9.924 -99.200 -91.000 TYR 143 0.840 -1.208 -7.451 14.079 -99.200 -91.000 PHE 149 1.000 -6.629 -1.060 8.196 -99.200 -91.000 TYR 163 0.840 -8.567 7.404 -6.863 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2pojA9 PHE 100 HA 0.04 -0.16 0.20 -0.75 4.62 3.95 2pojA9 PHE 100 HB2 0.02 0.06 0.07 -0.04 3.15 3.26 2pojA9 PHE 100 HB3 0.02 0.02 0.03 -0.04 3.06 3.09 2pojA9 PHE 100 HD2 0.02 0.01 -0.00 -0.04 7.28 7.27 2pojA9 PHE 100 HE2 0.02 -0.01 0.00 -0.04 7.38 7.35 2pojA9 PHE 100 HZ 0.02 -0.01 0.00 -0.04 7.32 7.29 2pojA9 ARG 101 H 0.07 0.13 0.08 -0.55 8.46 8.19 2pojA9 ARG 101 HA 0.10 -0.11 -0.02 -0.75 4.34 3.55 2pojA9 ARG 101 HB2 0.11 -0.01 0.19 -0.04 1.90 2.15 2pojA9 ARG 101 HB3 0.11 -0.22 0.00 -0.04 1.80 1.65 2pojA9 ARG 101 HG2 0.19 -0.04 -0.98 -0.04 1.67 0.80 2pojA9 ARG 101 HG3 0.11 0.10 -0.07 -0.04 1.67 1.78 2pojA9 ARG 101 HD2 0.10 -0.04 -0.08 -0.04 3.22 3.16 2pojA9 ARG 101 HD3 0.12 -0.21 -0.00 -0.04 3.22 3.08 2pojA9 GLU 102 H 0.08 0.14 -0.44 -0.55 8.60 7.84 2pojA9 GLU 102 HA 0.00 -0.26 0.45 -0.75 4.29 3.74 2pojA9 GLU 102 HB2 -0.01 0.03 0.09 -0.04 2.09 2.15 2pojA9 GLU 102 HB3 0.04 0.25 -0.00 -0.04 1.99 2.24 2pojA9 GLU 102 HG2 0.05 -0.02 -0.07 -0.04 2.34 2.25 2pojA9 GLU 102 HG3 0.10 -0.03 -0.13 -0.04 2.34 2.24 2pojA9 MET 103 H -0.03 0.22 -0.06 -0.55 8.47 8.05 2pojA9 MET 103 HA -0.01 0.00 0.35 -0.75 4.52 4.11 2pojA9 MET 103 HB2 -0.07 0.30 0.06 -0.04 2.15 2.40 2pojA9 MET 103 HB3 -0.04 -0.26 -0.03 -0.04 2.03 1.66 2pojA9 MET 103 HG2 -0.01 -0.03 -0.09 -0.04 2.63 2.46 2pojA9 MET 103 HG3 -0.05 0.12 -0.20 -0.04 2.56 2.39 2pojA9 MET 103 HE3 -0.04 -0.00 -0.12 -0.04 2.10 1.89 2pojA9 PRO 104 HA 0.02 0.17 0.45 -0.51 4.44 4.56 2pojA9 PRO 104 HB2 -0.00 0.02 0.00 -0.04 2.28 2.26 2pojA9 PRO 104 HB3 0.01 0.04 0.13 -0.04 2.02 2.16 2pojA9 PRO 104 HG2 -0.02 0.01 0.04 -0.04 2.03 2.03 2pojA9 PRO 104 HG3 -0.02 0.03 0.07 -0.04 2.03 2.08 2pojA9 PRO 104 HD2 -0.03 0.07 0.20 -0.04 3.68 3.88 2pojA9 PRO 104 HD3 -0.01 0.14 0.20 -0.04 3.65 3.94 2pojA9 GLY 105 H -0.02 0.05 -0.28 -0.55 8.43 7.63 2pojA9 GLY 105 HA2 -0.02 0.20 0.57 -0.51 4.01 4.25 2pojA9 GLY 105 HA3 -0.02 -0.02 0.29 -0.51 4.01 3.76 2pojA9 GLY 106 H -0.05 0.21 -0.26 -0.55 8.43 7.79 2pojA9 GLY 106 HA2 -0.07 0.22 0.88 -0.51 4.01 4.53 2pojA9 GLY 106 HA3 -0.09 0.00 0.33 -0.51 4.01 3.74 2pojA9 PRO 107 HA -0.08 0.08 0.40 -0.51 4.44 4.33 2pojA9 PRO 107 HB2 -0.02 0.07 0.16 -0.04 2.28 2.44 2pojA9 PRO 107 HB3 -0.03 -0.01 0.07 -0.04 2.02 2.01 2pojA9 PRO 107 HG2 -0.01 0.01 0.11 -0.04 2.03 2.10 2pojA9 PRO 107 HG3 -0.01 -0.00 0.08 -0.04 2.03 2.05 2pojA9 PRO 107 HD2 -0.05 0.06 0.26 -0.04 3.68 3.91 2pojA9 PRO 107 HD3 -0.04 0.20 -0.15 -0.04 3.65 3.62 2pojA9 VAL 108 H -0.21 0.44 0.35 -0.55 8.24 8.27 2pojA9 VAL 108 HA -0.56 0.04 0.38 -0.75 4.13 3.23 2pojA9 VAL 108 HB -0.38 0.04 0.08 -0.04 2.12 1.82 2pojA9 VAL 108 HG13 -0.69 -0.09 0.06 -0.04 0.97 0.21 2pojA9 VAL 108 HG23 -0.38 -0.00 0.07 -0.04 0.95 0.60 2pojA9 TRP 109 H -0.79 0.19 0.20 -0.55 7.97 7.03 2pojA9 TRP 109 HA 0.03 0.10 0.41 -0.75 4.62 4.41 2pojA9 TRP 109 HB2 0.15 -0.10 0.10 -0.04 3.23 3.34 2pojA9 TRP 109 HB3 0.09 -0.01 0.10 -0.04 3.23 3.37 2pojA9 TRP 109 HD1 0.03 0.02 0.01 -0.04 7.22 7.24 2pojA9 TRP 109 HE1 0.02 -0.11 0.14 -0.04 10.20 10.21 2pojA9 TRP 109 HE3 0.20 -0.03 0.06 -0.04 7.59 7.78 2pojA9 TRP 109 HZ2 0.03 0.08 0.06 -0.04 7.44 7.57 2pojA9 TRP 109 HZ3 0.07 -0.12 -0.01 -0.04 7.13 7.03 2pojA9 TRP 109 HH2 0.02 -0.13 -0.18 -0.04 7.19 6.86 2pojA9 ARG 110 H 0.11 0.03 -0.39 -0.55 8.46 7.66 2pojA9 ARG 110 HA 0.14 0.10 0.24 -0.75 4.34 4.06 2pojA9 ARG 110 HB2 0.10 0.18 0.08 -0.04 1.90 2.22 2pojA9 ARG 110 HB3 0.07 -0.06 0.21 -0.04 1.80 1.98 2pojA9 ARG 110 HG2 -0.04 0.05 0.01 -0.04 1.67 1.66 2pojA9 ARG 110 HG3 -0.08 -0.02 -0.25 -0.04 1.67 1.29 2pojA9 ARG 110 HD2 -0.03 -0.09 -0.08 -0.04 3.22 2.98 2pojA9 ARG 110 HD3 0.03 0.12 -0.17 -0.04 3.22 3.16 2pojA9 LYS 111 H 0.51 0.03 -0.23 -0.55 8.42 8.18 2pojA9 LYS 111 HA 0.25 0.22 0.93 -0.75 4.32 4.96 2pojA9 LYS 111 HB2 0.28 -0.06 -0.04 -0.04 1.87 2.01 2pojA9 LYS 111 HB3 0.21 0.12 -0.07 -0.04 1.79 2.00 2pojA9 LYS 111 HG2 0.33 0.13 -0.12 -0.04 1.46 1.76 2pojA9 LYS 111 HG3 0.52 -0.10 0.02 -0.04 1.46 1.86 2pojA9 LYS 111 HD2 0.07 0.04 -0.01 -0.04 1.69 1.74 2pojA9 LYS 111 HD3 0.14 -0.01 -0.01 -0.04 1.68 1.76 2pojA9 LYS 111 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 2pojA9 LYS 111 HE3 -0.33 -0.00 0.03 -0.04 2.99 2.64 2pojA9 HIS 112 H 0.45 0.22 0.08 -0.55 8.41 8.62 2pojA9 HIS 112 HA 0.15 0.05 0.64 -0.75 4.63 4.72 2pojA9 HIS 112 HB2 0.07 0.01 0.31 -0.04 3.26 3.62 2pojA9 HIS 112 HB3 0.12 0.14 0.17 -0.04 3.20 3.59 2pojA9 HIS 112 HD2 0.26 -0.07 -0.06 -0.04 6.97 7.06 2pojA9 HIS 112 HE1 0.13 -0.03 0.02 -0.04 7.75 7.82 2pojA9 TYR 113 H 0.38 0.36 -0.87 -0.55 8.29 7.61 2pojA9 TYR 113 HA 0.01 0.20 0.81 -0.75 4.56 4.83 2pojA9 TYR 113 HB2 0.08 -0.08 -0.09 -0.04 3.06 2.93 2pojA9 TYR 113 HB3 -0.00 -0.01 0.11 -0.04 2.98 3.03 2pojA9 TYR 113 HD2 -0.25 -0.02 -0.23 -0.04 7.15 6.61 2pojA9 TYR 113 HE2 -0.24 -0.03 -0.01 -0.04 6.85 6.53 2pojA9 ILE 114 H 0.19 0.82 0.29 -0.55 8.25 9.01 2pojA9 ILE 114 HA 0.03 0.19 1.01 -0.75 4.18 4.66 2pojA9 ILE 114 HB 0.43 -0.02 0.00 -0.04 1.89 2.26 2pojA9 ILE 114 HG12 0.63 0.02 -0.03 -0.04 1.49 2.08 2pojA9 ILE 114 HG13 0.43 0.08 -0.22 -0.04 1.21 1.46 2pojA9 ILE 114 HG23 0.20 -0.01 0.08 -0.04 0.93 1.16 2pojA9 ILE 114 HD13 0.45 0.08 -0.02 -0.04 0.88 1.35 2pojA9 THR 115 H 0.04 0.20 0.33 -0.55 8.28 8.30 2pojA9 THR 115 HA 0.01 -0.01 0.81 -0.75 4.39 4.45 2pojA9 THR 115 HB -0.10 0.04 0.03 -0.04 4.32 4.25 2pojA9 THR 115 HG23 -0.05 0.01 -0.18 -0.04 1.22 0.95 2pojA9 TYR 116 H -0.52 0.74 0.45 -0.55 8.29 8.41 2pojA9 TYR 116 HA 0.01 0.18 0.91 -0.75 4.56 4.91 2pojA9 TYR 116 HB2 0.09 0.03 0.06 -0.04 3.06 3.20 2pojA9 TYR 116 HB3 0.15 0.02 -0.00 -0.04 2.98 3.11 2pojA9 TYR 116 HD2 -0.37 -0.06 -0.13 -0.04 7.15 6.55 2pojA9 TYR 116 HE2 -0.36 -0.02 -0.24 -0.04 6.85 6.19 2pojA9 ARG 117 H 0.11 0.48 0.11 -0.55 8.46 8.61 2pojA9 ARG 117 HA -0.01 0.29 0.96 -0.75 4.34 4.82 2pojA9 ARG 117 HB2 -0.04 -0.10 -0.29 -0.04 1.90 1.44 2pojA9 ARG 117 HB3 0.02 0.01 -0.01 -0.04 1.80 1.78 2pojA9 ARG 117 HG2 0.02 0.17 0.02 -0.04 1.67 1.84 2pojA9 ARG 117 HG3 -0.01 -0.27 -0.32 -0.04 1.67 1.03 2pojA9 ARG 117 HD2 0.04 -0.07 -0.43 -0.04 3.22 2.71 2pojA9 ARG 117 HD3 0.04 0.12 -0.33 -0.04 3.22 3.00 2pojA9 ILE 118 H 0.09 0.16 0.12 -0.55 8.25 8.07 2pojA9 ILE 118 HA 0.02 0.10 0.70 -0.75 4.18 4.25 2pojA9 ILE 118 HB 0.09 -0.01 0.12 -0.04 1.89 2.05 2pojA9 ILE 118 HG12 -0.02 0.01 -0.01 -0.04 1.49 1.44 2pojA9 ILE 118 HG13 0.11 -0.04 0.03 -0.04 1.21 1.27 2pojA9 ILE 118 HG23 -0.50 -0.05 -0.14 -0.04 0.93 0.20 2pojA9 ILE 118 HD13 -0.21 -0.01 -0.08 -0.04 0.88 0.54 2pojA9 ASN 119 H 0.04 0.63 0.42 -0.55 8.53 9.08 2pojA9 ASN 119 HA 0.07 0.04 0.38 -0.75 4.76 4.49 2pojA9 ASN 119 HB2 0.04 0.03 0.06 -0.04 2.88 2.96 2pojA9 ASN 119 HB3 0.04 -0.07 0.18 -0.04 2.79 2.90 2pojA9 ASN 119 HD21 0.04 -0.02 -0.10 -0.04 7.03 6.90 2pojA9 ASN 119 HD22 0.06 -0.02 -0.42 -0.04 7.74 7.32 2pojA9 ASN 120 H 0.12 0.21 0.10 -0.55 8.53 8.42 2pojA9 ASN 120 HA 0.23 0.21 0.73 -0.75 4.76 5.18 2pojA9 ASN 120 HB2 0.13 0.03 0.04 -0.04 2.88 3.04 2pojA9 ASN 120 HB3 0.10 0.10 -0.04 -0.04 2.79 2.92 2pojA9 ASN 120 HD21 0.20 0.04 -0.17 -0.04 7.03 7.06 2pojA9 ASN 120 HD22 0.18 0.03 -0.05 -0.04 7.74 7.86 2pojA9 TYR 121 H 0.26 0.23 0.14 -0.55 8.29 8.37 2pojA9 TYR 121 HA -0.21 0.12 0.94 -0.75 4.56 4.66 2pojA9 TYR 121 HB2 -0.05 0.02 0.05 -0.04 3.06 3.04 2pojA9 TYR 121 HB3 -0.12 0.04 -0.08 -0.04 2.98 2.78 2pojA9 TYR 121 HD2 -0.00 -0.09 -0.28 -0.04 7.15 6.73 2pojA9 TYR 121 HE2 0.04 0.09 -0.08 -0.04 6.85 6.87 2pojA9 THR 122 H -0.83 0.09 0.12 -0.55 8.28 7.12 2pojA9 THR 122 HA -0.13 0.25 0.71 -0.75 4.39 4.46 2pojA9 THR 122 HB -0.77 0.02 0.08 -0.04 4.32 3.62 2pojA9 THR 122 HG23 -0.30 -0.04 0.03 -0.04 1.22 0.87 2pojA9 PRO 123 HA -0.03 0.12 0.41 -0.51 4.44 4.43 2pojA9 PRO 123 HB2 -0.05 0.03 0.07 -0.04 2.28 2.29 2pojA9 PRO 123 HB3 -0.03 0.03 0.13 -0.04 2.02 2.12 2pojA9 PRO 123 HG2 -0.08 0.05 0.02 -0.04 2.03 1.99 2pojA9 PRO 123 HG3 -0.03 0.06 0.08 -0.04 2.03 2.10 2pojA9 PRO 123 HD2 -0.04 0.08 0.25 -0.04 3.68 3.93 2pojA9 PRO 123 HD3 -0.03 0.23 0.25 -0.04 3.65 4.06 2pojA9 ASP 124 H -0.08 -0.03 -0.60 -0.55 8.40 7.15 2pojA9 ASP 124 HA -0.19 0.09 0.55 -0.75 4.63 4.33 2pojA9 ASP 124 HB2 0.12 -0.04 0.08 -0.04 2.71 2.83 2pojA9 ASP 124 HB3 -0.20 -0.07 0.10 -0.04 2.70 2.50 2pojA9 MET 125 H -0.04 0.25 -0.19 -0.55 8.47 7.94 2pojA9 MET 125 HA 0.08 0.14 0.88 -0.75 4.52 4.87 2pojA9 MET 125 HB2 -0.06 0.03 -0.12 -0.04 2.15 1.96 2pojA9 MET 125 HB3 0.04 -0.16 -0.08 -0.04 2.03 1.79 2pojA9 MET 125 HG2 0.15 0.05 -0.65 -0.04 2.63 2.14 2pojA9 MET 125 HG3 0.03 -0.07 -0.20 -0.04 2.56 2.28 2pojA9 MET 125 HE3 -0.82 0.03 -0.01 -0.04 2.10 1.25 2pojA9 ASN 126 H 0.07 0.04 0.11 -0.55 8.53 8.20 2pojA9 ASN 126 HA 0.05 0.32 0.81 -0.75 4.76 5.18 2pojA9 ASN 126 HB2 0.06 -0.19 0.17 -0.04 2.88 2.88 2pojA9 ASN 126 HB3 0.05 0.02 0.11 -0.04 2.79 2.93 2pojA9 ASN 126 HD21 0.04 -0.01 0.03 -0.04 7.03 7.05 2pojA9 ASN 126 HD22 0.06 0.08 -0.02 -0.04 7.74 7.81 2pojA9 ARG 127 H 0.04 0.29 0.16 -0.55 8.46 8.39 2pojA9 ARG 127 HA 0.11 0.12 0.32 -0.75 4.34 4.13 2pojA9 ARG 127 HB2 -0.03 0.07 0.03 -0.04 1.90 1.93 2pojA9 ARG 127 HB3 -0.05 0.10 0.13 -0.04 1.80 1.94 2pojA9 ARG 127 HG2 0.03 -0.30 0.08 -0.04 1.67 1.44 2pojA9 ARG 127 HG3 0.00 0.09 -0.02 -0.04 1.67 1.70 2pojA9 ARG 127 HD2 -0.00 0.03 0.12 -0.04 3.22 3.32 2pojA9 ARG 127 HD3 0.01 -0.00 0.07 -0.04 3.22 3.25 2pojA9 GLU 128 H 0.06 0.03 -0.41 -0.55 8.60 7.74 2pojA9 GLU 128 HA 0.11 0.20 0.61 -0.75 4.29 4.45 2pojA9 GLU 128 HB2 0.07 -0.03 0.02 -0.04 2.09 2.11 2pojA9 GLU 128 HB3 0.11 0.07 0.02 -0.04 1.99 2.15 2pojA9 GLU 128 HG2 0.05 0.06 -0.06 -0.04 2.34 2.34 2pojA9 GLU 128 HG3 0.04 -0.05 0.01 -0.04 2.34 2.30 2pojA9 ASP 129 H 0.09 0.02 -0.10 -0.55 8.40 7.86 2pojA9 ASP 129 HA 0.10 0.10 0.44 -0.75 4.63 4.52 2pojA9 ASP 129 HB2 0.07 -0.14 0.23 -0.04 2.71 2.83 2pojA9 ASP 129 HB3 0.07 0.01 -0.00 -0.04 2.70 2.74 2pojA9 VAL 130 H 0.13 0.68 -0.31 -0.55 8.24 8.19 2pojA9 VAL 130 HA 0.07 0.03 0.35 -0.75 4.13 3.82 2pojA9 VAL 130 HB 0.28 0.14 0.01 -0.04 2.12 2.51 2pojA9 VAL 130 HG13 -0.14 0.00 -0.12 -0.04 0.97 0.67 2pojA9 VAL 130 HG23 0.04 0.03 -0.20 -0.04 0.95 0.79 2pojA9 ASP 131 H 0.18 0.31 -0.21 -0.55 8.40 8.14 2pojA9 ASP 131 HA 0.18 0.08 0.51 -0.75 4.63 4.65 2pojA9 ASP 131 HB2 0.15 0.13 0.16 -0.04 2.71 3.11 2pojA9 ASP 131 HB3 0.12 0.03 -0.03 -0.04 2.70 2.78 2pojA9 TYR 132 H 0.23 0.29 -0.37 -0.55 8.29 7.90 2pojA9 TYR 132 HA 0.05 0.11 0.50 -0.75 4.56 4.46 2pojA9 TYR 132 HB2 0.05 0.18 0.10 -0.04 3.06 3.34 2pojA9 TYR 132 HB3 0.05 -0.05 0.13 -0.04 2.98 3.08 2pojA9 TYR 132 HD2 -0.01 -0.01 -0.22 -0.04 7.15 6.87 2pojA9 TYR 132 HE2 -0.04 0.00 -0.02 -0.04 6.85 6.75 2pojA9 ALA 133 H 0.24 0.60 -0.07 -0.55 8.40 8.62 2pojA9 ALA 133 HA 0.18 0.06 0.48 -0.75 4.34 4.31 2pojA9 ALA 133 HB3 0.23 0.06 0.01 -0.04 1.41 1.67 2pojA9 ILE 134 H 0.18 0.29 -0.40 -0.55 8.25 7.77 2pojA9 ILE 134 HA 0.18 0.08 0.43 -0.75 4.18 4.12 2pojA9 ILE 134 HB 0.19 0.17 0.20 -0.04 1.89 2.41 2pojA9 ILE 134 HG12 0.15 -0.02 -0.05 -0.04 1.49 1.53 2pojA9 ILE 134 HG13 0.16 -0.02 -0.03 -0.04 1.21 1.28 2pojA9 ILE 134 HG23 0.30 -0.01 -0.22 -0.04 0.93 0.96 2pojA9 ILE 134 HD13 0.02 -0.03 -0.09 -0.04 0.88 0.74 2pojA9 ARG 135 H 0.16 0.49 -0.14 -0.55 8.46 8.42 2pojA9 ARG 135 HA 0.22 0.02 0.30 -0.75 4.34 4.12 2pojA9 ARG 135 HB2 0.08 -0.03 0.11 -0.04 1.90 2.01 2pojA9 ARG 135 HB3 0.02 0.27 0.23 -0.04 1.80 2.28 2pojA9 ARG 135 HG2 -0.09 0.02 -0.27 -0.04 1.67 1.30 2pojA9 ARG 135 HG3 0.02 -0.03 -0.18 -0.04 1.67 1.44 2pojA9 ARG 135 HD2 -0.06 0.00 -0.04 -0.04 3.22 3.08 2pojA9 ARG 135 HD3 -0.05 -0.00 -0.00 -0.04 3.22 3.12 2pojA9 LYS 136 H 0.06 0.28 -0.53 -0.55 8.42 7.67 2pojA9 LYS 136 HA 0.03 0.09 0.41 -0.75 4.32 4.10 2pojA9 LYS 136 HB2 -0.36 0.04 0.06 -0.04 1.87 1.57 2pojA9 LYS 136 HB3 -0.41 -0.02 -0.01 -0.04 1.79 1.31 2pojA9 LYS 136 HG2 -0.21 0.00 0.03 -0.04 1.46 1.24 2pojA9 LYS 136 HG3 -0.23 -0.04 0.03 -0.04 1.46 1.18 2pojA9 LYS 136 HD2 -0.15 -0.04 -0.01 -0.04 1.69 1.45 2pojA9 LYS 136 HD3 -0.18 0.01 -0.01 -0.04 1.68 1.46 2pojA9 LYS 136 HE2 -0.06 0.02 -0.05 -0.04 2.99 2.87 2pojA9 LYS 136 HE3 -0.17 -0.01 -0.07 -0.04 2.99 2.70 2pojA9 ALA 137 H 0.31 0.31 -0.29 -0.55 8.40 8.18 2pojA9 ALA 137 HA 0.39 0.00 0.41 -0.75 4.34 4.38 2pojA9 ALA 137 HB3 0.07 0.08 0.06 -0.04 1.41 1.57 2pojA9 PHE 138 H 0.32 0.61 -0.12 -0.55 8.34 8.59 2pojA9 PHE 138 HA 0.36 0.05 0.43 -0.75 4.62 4.71 2pojA9 PHE 138 HB2 0.10 0.12 -0.01 -0.04 3.15 3.32 2pojA9 PHE 138 HB3 0.47 -0.03 -0.02 -0.04 3.06 3.44 2pojA9 PHE 138 HD2 -0.31 0.14 -0.12 -0.04 7.28 6.94 2pojA9 PHE 138 HE2 -0.44 -0.02 -0.11 -0.04 7.38 6.77 2pojA9 PHE 138 HZ -0.33 0.02 -0.06 -0.04 7.32 6.91 2pojA9 GLN 139 H 0.28 0.28 -0.61 -0.55 8.47 7.88 2pojA9 GLN 139 HA 0.15 0.06 0.47 -0.75 4.36 4.29 2pojA9 GLN 139 HB2 0.12 0.28 0.19 -0.04 2.15 2.70 2pojA9 GLN 139 HB3 0.09 0.04 0.02 -0.04 2.02 2.13 2pojA9 GLN 139 HG2 0.04 -0.01 0.08 -0.04 2.40 2.47 2pojA9 GLN 139 HG3 0.06 -0.01 0.04 -0.04 2.39 2.44 2pojA9 GLN 139 HE21 0.06 0.16 -0.07 -0.04 6.97 7.08 2pojA9 GLN 139 HE22 -0.01 -0.07 -0.08 -0.04 7.69 7.48 2pojA9 VAL 140 H 0.20 0.31 -0.62 -0.55 8.24 7.58 2pojA9 VAL 140 HA -0.04 0.17 0.71 -0.75 4.13 4.22 2pojA9 VAL 140 HB -0.11 0.16 0.11 -0.04 2.12 2.24 2pojA9 VAL 140 HG13 -0.44 -0.03 0.01 -0.04 0.97 0.47 2pojA9 VAL 140 HG23 0.30 -0.00 -0.07 -0.04 0.95 1.14 2pojA9 TRP 141 H 0.33 0.18 -0.19 -0.55 7.97 7.75 2pojA9 TRP 141 HA 0.12 0.19 0.85 -0.75 4.62 5.02 2pojA9 TRP 141 HB2 0.38 0.03 0.09 -0.04 3.23 3.69 2pojA9 TRP 141 HB3 0.28 0.03 -0.05 -0.04 3.23 3.45 2pojA9 TRP 141 HD1 -0.06 0.09 -0.01 -0.04 7.22 7.19 2pojA9 TRP 141 HE1 -0.01 -0.08 -0.38 -0.04 10.20 9.69 2pojA9 TRP 141 HE3 0.10 0.03 -0.01 -0.04 7.59 7.66 2pojA9 TRP 141 HZ2 0.05 -0.04 -0.14 -0.04 7.44 7.28 2pojA9 TRP 141 HZ3 0.05 0.05 -0.09 -0.04 7.13 7.09 2pojA9 TRP 141 HH2 0.03 -0.15 -0.03 -0.04 7.19 7.00 2pojA9 SER 142 H 0.43 0.51 0.14 -0.55 8.46 8.99 2pojA9 SER 142 HA -0.40 0.11 0.43 -0.75 4.49 3.87 2pojA9 SER 142 HB2 -0.21 0.20 0.18 -0.04 3.95 4.08 2pojA9 SER 142 HB3 -0.22 0.01 0.01 -0.04 3.93 3.69 2pojA9 ASN 143 H 0.06 -0.02 -0.81 -0.55 8.53 7.21 2pojA9 ASN 143 HA -0.02 0.21 0.72 -0.75 4.76 4.91 2pojA9 ASN 143 HB2 -0.01 0.06 -0.06 -0.04 2.88 2.83 2pojA9 ASN 143 HB3 -0.02 -0.05 0.08 -0.04 2.79 2.76 2pojA9 ASN 143 HD21 0.00 -0.09 0.02 -0.04 7.03 6.93 2pojA9 ASN 143 HD22 -0.01 -0.05 0.03 -0.04 7.74 7.67 2pojA9 VAL 144 H 0.06 0.20 -0.44 -0.55 8.24 7.52 2pojA9 VAL 144 HA 0.01 0.17 0.81 -0.75 4.13 4.37 2pojA9 VAL 144 HB 0.04 -0.07 0.12 -0.04 2.12 2.17 2pojA9 VAL 144 HG13 -0.11 0.01 -0.06 -0.04 0.97 0.77 2pojA9 VAL 144 HG23 0.15 -0.04 0.02 -0.04 0.95 1.04 2pojA9 THR 145 H 0.05 0.17 -0.19 -0.55 8.28 7.76 2pojA9 THR 145 HA 0.08 0.19 0.70 -0.75 4.39 4.62 2pojA9 THR 145 HB 0.09 0.04 -0.07 -0.04 4.32 4.34 2pojA9 THR 145 HG23 0.26 0.10 -0.36 -0.04 1.22 1.18 2pojA9 PRO 146 HA 0.02 0.11 0.35 -0.51 4.44 4.41 2pojA9 PRO 146 HB2 0.07 0.01 0.20 -0.04 2.28 2.52 2pojA9 PRO 146 HB3 0.05 -0.01 0.09 -0.04 2.02 2.11 2pojA9 PRO 146 HG2 0.10 0.12 -0.09 -0.04 2.03 2.12 2pojA9 PRO 146 HG3 0.07 0.01 0.02 -0.04 2.03 2.09 2pojA9 PRO 146 HD2 0.11 0.08 0.01 -0.04 3.68 3.84 2pojA9 PRO 146 HD3 0.07 0.12 0.06 -0.04 3.65 3.86 2pojA9 LEU 147 H -0.08 0.45 -1.00 -0.55 8.37 7.20 2pojA9 LEU 147 HA 0.07 0.13 0.83 -0.75 4.35 4.63 2pojA9 LEU 147 HB2 -0.14 0.00 -0.12 -0.04 1.64 1.33 2pojA9 LEU 147 HB3 0.12 -0.07 -0.02 -0.04 1.64 1.63 2pojA9 LEU 147 HG -1.13 0.00 -0.14 -0.04 1.64 0.34 2pojA9 LEU 147 HD13 0.15 0.12 -0.27 -0.04 0.93 0.88 2pojA9 LEU 147 HD23 -0.17 0.00 -0.33 -0.04 0.89 0.35 2pojA9 LYS 148 H 0.00 0.09 -0.01 -0.55 8.42 7.96 2pojA9 LYS 148 HA -0.34 0.17 0.94 -0.75 4.32 4.34 2pojA9 LYS 148 HB2 -0.35 0.17 0.15 -0.04 1.87 1.80 2pojA9 LYS 148 HB3 -0.26 -0.03 0.02 -0.04 1.79 1.49 2pojA9 LYS 148 HG2 -0.16 0.02 -0.06 -0.04 1.46 1.22 2pojA9 LYS 148 HG3 -0.12 -0.02 -0.42 -0.04 1.46 0.85 2pojA9 LYS 148 HD2 -0.45 -0.03 0.04 -0.04 1.69 1.21 2pojA9 LYS 148 HD3 -0.17 -0.06 -0.01 -0.04 1.68 1.40 2pojA9 LYS 148 HE2 -0.33 0.11 0.07 -0.04 2.99 2.81 2pojA9 LYS 148 HE3 -0.34 -0.07 0.03 -0.04 2.99 2.57 2pojA9 PHE 149 H -0.22 0.20 0.15 -0.55 8.34 7.92 2pojA9 PHE 149 HA 0.05 0.34 0.88 -0.75 4.62 5.14 2pojA9 PHE 149 HB2 0.18 -0.01 -0.03 -0.04 3.15 3.25 2pojA9 PHE 149 HB3 0.21 -0.04 -0.07 -0.04 3.06 3.11 2pojA9 PHE 149 HD2 0.27 0.10 -0.34 -0.04 7.28 7.27 2pojA9 PHE 149 HE2 0.17 -0.08 -0.14 -0.04 7.38 7.29 2pojA9 PHE 149 HZ 0.05 0.06 -0.28 -0.04 7.32 7.11 2pojA9 SER 150 H 0.08 0.27 0.33 -0.55 8.46 8.60 2pojA9 SER 150 HA -0.07 0.16 0.88 -0.75 4.49 4.70 2pojA9 SER 150 HB2 -0.12 0.00 0.02 -0.04 3.95 3.82 2pojA9 SER 150 HB3 -0.14 0.00 0.07 -0.04 3.93 3.82 2pojA9 LYS 151 H -0.28 0.19 0.19 -0.55 8.42 7.97 2pojA9 LYS 151 HA -1.36 0.23 1.05 -0.75 4.32 3.49 2pojA9 LYS 151 HB2 -0.47 -0.01 0.00 -0.04 1.87 1.35 2pojA9 LYS 151 HB3 -0.22 -0.00 0.09 -0.04 1.79 1.62 2pojA9 LYS 151 HG2 -0.32 0.05 0.07 -0.04 1.46 1.21 2pojA9 LYS 151 HG3 -0.01 -0.04 -0.01 -0.04 1.46 1.36 2pojA9 LYS 151 HD2 0.04 -0.02 -0.05 -0.04 1.69 1.62 2pojA9 LYS 151 HD3 -0.07 -0.00 -0.13 -0.04 1.68 1.43 2pojA9 LYS 151 HE2 -0.01 -0.03 -0.18 -0.04 2.99 2.73 2pojA9 LYS 151 HE3 -0.03 0.06 -0.24 -0.04 2.99 2.75 2pojA9 ILE 152 H -0.36 0.62 0.38 -0.55 8.25 8.34 2pojA9 ILE 152 HA -0.11 0.12 0.67 -0.75 4.18 4.11 2pojA9 ILE 152 HB -0.07 -0.14 -0.05 -0.04 1.89 1.59 2pojA9 ILE 152 HG12 -0.16 0.19 -0.25 -0.04 1.49 1.23 2pojA9 ILE 152 HG13 -0.07 -0.06 -0.36 -0.04 1.21 0.68 2pojA9 ILE 152 HG23 -0.14 0.03 -0.40 -0.04 0.93 0.39 2pojA9 ILE 152 HD13 -0.07 0.03 -0.59 -0.04 0.88 0.21 2pojA9 ASN 153 H -0.04 0.19 0.09 -0.55 8.53 8.23 2pojA9 ASN 153 HA 0.02 0.24 0.89 -0.75 4.76 5.16 2pojA9 ASN 153 HB2 0.00 -0.04 0.03 -0.04 2.88 2.82 2pojA9 ASN 153 HB3 0.01 0.06 0.12 -0.04 2.79 2.94 2pojA9 ASN 153 HD21 0.11 -0.02 0.01 -0.04 7.03 7.09 2pojA9 ASN 153 HD22 0.02 0.00 0.04 -0.04 7.74 7.76 2pojA9 THR 154 H -0.03 -0.05 -0.12 -0.55 8.28 7.54 2pojA9 THR 154 HA -0.00 0.16 0.36 -0.75 4.39 4.15 2pojA9 THR 154 HB -0.00 0.22 0.02 -0.04 4.32 4.51 2pojA9 THR 154 HG23 -0.02 -0.05 -0.07 -0.04 1.22 1.05 2pojA9 GLY 155 H -0.02 0.12 -0.07 -0.55 8.43 7.91 2pojA9 GLY 155 HA2 -0.02 0.24 0.66 -0.51 4.01 4.38 2pojA9 GLY 155 HA3 -0.04 -0.02 0.26 -0.51 4.01 3.70 2pojA9 MET 156 H -0.04 0.17 -0.00 -0.55 8.47 8.05 2pojA9 MET 156 HA -0.03 0.23 0.90 -0.75 4.52 4.86 2pojA9 MET 156 HB2 -0.06 0.06 0.03 -0.04 2.15 2.14 2pojA9 MET 156 HB3 -0.04 0.02 0.00 -0.04 2.03 1.98 2pojA9 MET 156 HG2 -0.04 -0.05 0.14 -0.04 2.63 2.64 2pojA9 MET 156 HG3 -0.04 0.05 0.05 -0.04 2.56 2.58 2pojA9 MET 156 HE3 -0.02 -0.05 0.05 -0.04 2.10 2.04 2pojA9 ALA 157 H -0.03 0.24 -0.09 -0.55 8.40 7.97 2pojA9 ALA 157 HA -0.06 0.13 0.61 -0.75 4.34 4.26 2pojA9 ALA 157 HB3 -0.03 0.02 -0.46 -0.04 1.41 0.90 2pojA9 ASP 158 H -0.03 0.25 0.17 -0.55 8.40 8.24 2pojA9 ASP 158 HA -0.10 0.14 0.56 -0.75 4.63 4.48 2pojA9 ASP 158 HB2 -0.14 -0.24 0.31 -0.04 2.71 2.60 2pojA9 ASP 158 HB3 0.16 0.08 -0.01 -0.04 2.70 2.89 2pojA9 ILE 159 H 0.15 0.41 0.26 -0.55 8.25 8.52 2pojA9 ILE 159 HA 0.13 0.50 0.63 -0.75 4.18 4.68 2pojA9 ILE 159 HB 0.31 -0.17 0.21 -0.04 1.89 2.20 2pojA9 ILE 159 HG12 0.07 0.01 0.04 -0.04 1.49 1.56 2pojA9 ILE 159 HG13 0.25 0.08 -0.09 -0.04 1.21 1.41 2pojA9 ILE 159 HG23 0.05 0.01 -0.05 -0.04 0.93 0.89 2pojA9 ILE 159 HD13 0.26 -0.04 -0.04 -0.04 0.88 1.02 2pojA9 LEU 160 H 0.08 0.49 -0.01 -0.55 8.37 8.38 2pojA9 LEU 160 HA 0.07 0.07 0.70 -0.75 4.35 4.44 2pojA9 LEU 160 HB2 0.07 0.21 0.04 -0.04 1.64 1.93 2pojA9 LEU 160 HB3 0.08 -0.07 0.14 -0.04 1.64 1.76 2pojA9 LEU 160 HG 0.05 -0.04 -0.04 -0.04 1.64 1.56 2pojA9 LEU 160 HD13 0.03 0.02 -0.04 -0.04 0.93 0.90 2pojA9 LEU 160 HD23 0.04 0.01 -0.00 -0.04 0.89 0.90 2pojA9 VAL 161 H 0.07 0.26 0.16 -0.55 8.24 8.17 2pojA9 VAL 161 HA 0.00 0.39 0.74 -0.75 4.13 4.52 2pojA9 VAL 161 HB -0.04 -0.11 0.13 -0.04 2.12 2.05 2pojA9 VAL 161 HG13 -0.54 -0.02 -0.16 -0.04 0.97 0.21 2pojA9 VAL 161 HG23 0.08 0.00 -0.13 -0.04 0.95 0.87 2pojA9 VAL 162 H -0.04 0.69 0.33 -0.55 8.24 8.66 2pojA9 VAL 162 HA -0.00 0.00 0.89 -0.75 4.13 4.27 2pojA9 VAL 162 HB -0.01 0.03 -0.11 -0.04 2.12 1.99 2pojA9 VAL 162 HG13 -0.07 0.03 0.03 -0.04 0.97 0.91 2pojA9 VAL 162 HG23 -0.09 0.00 -0.20 -0.04 0.95 0.62 2pojA9 PHE 163 H 0.23 0.19 0.03 -0.55 8.34 8.24 2pojA9 PHE 163 HA 0.07 0.13 0.68 -0.75 4.62 4.74 2pojA9 PHE 163 HB2 -0.04 -0.02 0.04 -0.04 3.15 3.09 2pojA9 PHE 163 HB3 -0.01 0.04 -0.02 -0.04 3.06 3.02 2pojA9 PHE 163 HD2 -0.47 0.13 -0.08 -0.04 7.28 6.83 2pojA9 PHE 163 HE2 -0.94 0.06 -0.03 -0.04 7.38 6.43 2pojA9 PHE 163 HZ -0.69 -0.01 -0.06 -0.04 7.32 6.53 2pojA9 ALA 164 H 0.21 0.44 0.42 -0.55 8.40 8.93 2pojA9 ALA 164 HA 0.15 0.19 0.91 -0.75 4.34 4.83 2pojA9 ALA 164 HB3 -0.10 0.02 -0.04 -0.04 1.41 1.25 2pojA9 ARG 165 H 0.26 0.27 0.15 -0.55 8.46 8.58 2pojA9 ARG 165 HA 0.24 -0.01 1.04 -0.75 4.34 4.86 2pojA9 ARG 165 HB2 0.11 -0.04 0.07 -0.04 1.90 2.00 2pojA9 ARG 165 HB3 0.13 0.01 -0.00 -0.04 1.80 1.90 2pojA9 ARG 165 HG2 0.13 0.03 -0.30 -0.04 1.67 1.49 2pojA9 ARG 165 HG3 0.09 0.04 -0.04 -0.04 1.67 1.72 2pojA9 ARG 165 HD2 0.14 -0.05 0.10 -0.04 3.22 3.37 2pojA9 ARG 165 HD3 0.16 0.04 0.10 -0.04 3.22 3.48 2pojA9 GLY 166 H 0.29 -0.01 0.13 -0.55 8.43 8.29 2pojA9 GLY 166 HA2 0.17 0.01 0.17 -0.51 4.01 3.86 2pojA9 GLY 166 HA3 0.10 0.15 0.26 -0.51 4.01 4.01 2pojA9 ALA 167 H -0.05 0.25 0.16 -0.55 8.40 8.21 2pojA9 ALA 167 HA -0.31 -0.25 0.63 -0.75 4.34 3.66 2pojA9 ALA 167 HB3 -0.08 0.05 0.15 -0.04 1.41 1.49 2pojA9 HIS 168 H -0.76 -0.11 0.32 -0.55 8.41 7.32 2pojA9 HIS 168 HA 0.04 0.28 0.91 -0.75 4.63 5.10 2pojA9 HIS 168 HB2 -0.02 0.06 -0.03 -0.04 3.26 3.23 2pojA9 HIS 168 HB3 0.06 0.04 0.03 -0.04 3.20 3.29 2pojA9 HIS 168 HD2 0.28 0.06 -0.26 -0.04 6.97 7.00 2pojA9 HIS 168 HE1 -0.48 0.09 -0.06 -0.04 7.75 7.25 2pojA9 GLY 169 H -0.15 -0.36 0.22 -0.55 8.43 7.60 2pojA9 GLY 169 HA2 -0.08 0.03 0.27 -0.51 4.01 3.72 2pojA9 GLY 169 HA3 -0.05 0.33 0.91 -0.51 4.01 4.69 2pojA9 ASP 170 H -0.15 -0.30 0.24 -0.55 8.40 7.64 2pojA9 ASP 170 HA -0.45 0.35 0.88 -0.75 4.63 4.65 2pojA9 ASP 170 HB2 0.16 0.16 0.05 -0.04 2.71 3.05 2pojA9 ASP 170 HB3 0.10 -0.09 -0.01 -0.04 2.70 2.66 2pojA9 PHE 171 H -0.16 -0.14 0.03 -0.55 8.34 7.52 2pojA9 PHE 171 HA 0.02 0.01 0.26 -0.75 4.62 4.16 2pojA9 PHE 171 HB2 0.09 0.26 0.35 -0.04 3.15 3.80 2pojA9 PHE 171 HB3 0.03 0.00 0.14 -0.04 3.06 3.20 2pojA9 PHE 171 HD2 0.03 0.02 -0.09 -0.04 7.28 7.20 2pojA9 PHE 171 HE2 0.01 0.00 -0.07 -0.04 7.38 7.28 2pojA9 PHE 171 HZ 0.01 0.01 -0.05 -0.04 7.32 7.25 2pojA9 HIS 172 H 0.09 -0.35 0.01 -0.55 8.41 7.61 2pojA9 HIS 172 HA -0.08 0.30 0.78 -0.75 4.63 4.88 2pojA9 HIS 172 HB2 -0.38 0.11 -0.09 -0.04 3.26 2.86 2pojA9 HIS 172 HB3 0.01 0.03 -0.34 -0.04 3.20 2.85 2pojA9 HIS 172 HD2 -1.45 0.07 -0.28 -0.04 6.97 5.26 2pojA9 HIS 172 HE1 -0.82 0.19 -0.13 -0.04 7.75 6.94 2pojA9 ALA 173 H -0.20 -0.27 0.09 -0.55 8.40 7.47 2pojA9 ALA 173 HA -0.41 -0.19 0.24 -0.75 4.34 3.22 2pojA9 ALA 173 HB3 -0.18 0.07 0.03 -0.04 1.41 1.30 2pojA9 PHE 174 H -0.38 0.06 -0.61 -0.55 8.34 6.86 2pojA9 PHE 174 HA -0.29 0.20 0.24 -0.75 4.62 4.02 2pojA9 PHE 174 HB2 0.10 -0.01 0.13 -0.04 3.15 3.33 2pojA9 PHE 174 HB3 0.07 -0.24 0.25 -0.04 3.06 3.11 2pojA9 PHE 174 HD2 0.30 0.03 -0.16 -0.04 7.28 7.41 2pojA9 PHE 174 HE2 0.24 -0.02 -0.39 -0.04 7.38 7.17 2pojA9 PHE 174 HZ 0.24 0.21 -0.32 -0.04 7.32 7.42 2pojA9 ASP 175 H 0.24 0.20 0.17 -0.55 8.40 8.46 2pojA9 ASP 175 HA 0.03 0.17 0.80 -0.75 4.63 4.87 2pojA9 ASP 175 HB2 0.01 0.00 0.16 -0.04 2.71 2.85 2pojA9 ASP 175 HB3 0.04 -0.04 -0.05 -0.04 2.70 2.60 2pojA9 GLY 176 H 0.10 -0.22 0.07 -0.55 8.43 7.83 2pojA9 GLY 176 HA2 0.01 -0.18 0.32 -0.51 4.01 3.65 2pojA9 GLY 176 HA3 0.02 0.06 0.36 -0.51 4.01 3.94 2pojA9 LYS 177 H -0.02 0.01 0.11 -0.55 8.42 7.96 2pojA9 LYS 177 HA -0.08 -0.08 0.18 -0.75 4.32 3.59 2pojA9 LYS 177 HB2 -0.02 -0.03 0.15 -0.04 1.87 1.93 2pojA9 LYS 177 HB3 -0.02 0.03 0.02 -0.04 1.79 1.78 2pojA9 LYS 177 HG2 -0.05 -0.02 0.07 -0.04 1.46 1.42 2pojA9 LYS 177 HG3 -0.02 -0.01 0.03 -0.04 1.46 1.43 2pojA9 LYS 177 HD2 -0.02 0.03 -0.18 -0.04 1.69 1.47 2pojA9 LYS 177 HD3 -0.05 -0.06 -0.07 -0.04 1.68 1.46 2pojA9 LYS 177 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.92 2pojA9 LYS 177 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.92 2pojA9 GLY 178 H -0.09 -0.07 0.08 -0.55 8.43 7.80 2pojA9 GLY 178 HA2 -0.06 -0.05 0.36 -0.51 4.01 3.74 2pojA9 GLY 178 HA3 -0.03 0.03 0.33 -0.51 4.01 3.83 2pojA9 GLY 179 H -0.01 0.03 0.12 -0.55 8.43 8.03 2pojA9 GLY 179 HA2 0.02 0.01 0.31 -0.51 4.01 3.84 2pojA9 GLY 179 HA3 0.02 0.16 0.57 -0.51 4.01 4.25 2pojA9 ILE 180 H 0.07 0.15 0.10 -0.55 8.25 8.01 2pojA9 ILE 180 HA 0.13 0.04 0.36 -0.75 4.18 3.95 2pojA9 ILE 180 HB 0.44 -0.15 0.11 -0.04 1.89 2.25 2pojA9 ILE 180 HG12 0.06 0.01 0.06 -0.04 1.49 1.59 2pojA9 ILE 180 HG13 0.08 -0.01 0.08 -0.04 1.21 1.32 2pojA9 ILE 180 HG23 0.25 0.01 -0.16 -0.04 0.93 0.99 2pojA9 ILE 180 HD13 -0.03 0.02 -0.05 -0.04 0.88 0.78 2pojA9 LEU 181 H 0.09 0.19 0.32 -0.55 8.37 8.42 2pojA9 LEU 181 HA -0.02 0.03 0.38 -0.75 4.35 3.99 2pojA9 LEU 181 HB2 0.04 0.04 0.16 -0.04 1.64 1.84 2pojA9 LEU 181 HB3 0.13 -0.05 -0.03 -0.04 1.64 1.65 2pojA9 LEU 181 HG -0.08 0.20 0.07 -0.04 1.64 1.79 2pojA9 LEU 181 HD13 -0.32 -0.00 -0.01 -0.04 0.93 0.56 2pojA9 LEU 181 HD23 -0.35 -0.03 -0.02 -0.04 0.89 0.45 2pojA9 ALA 182 H 0.22 0.22 0.01 -0.55 8.40 8.31 2pojA9 ALA 182 HA 0.45 0.05 0.49 -0.75 4.34 4.57 2pojA9 ALA 182 HB3 -0.34 0.02 -0.01 -0.04 1.41 1.04 2pojA9 HIS 183 H 0.07 0.72 0.33 -0.55 8.41 8.99 2pojA9 HIS 183 HA -0.20 0.13 0.65 -0.75 4.63 4.46 2pojA9 HIS 183 HB2 -0.24 0.08 0.05 -0.04 3.26 3.12 2pojA9 HIS 183 HB3 -0.03 -0.01 -0.30 -0.04 3.20 2.81 2pojA9 HIS 183 HD2 -0.34 -0.00 -0.01 -0.04 6.97 6.56 2pojA9 HIS 183 HE1 -0.28 -0.00 -0.19 -0.04 7.75 7.23 2pojA9 ALA 184 H -0.44 0.25 0.18 -0.55 8.40 7.84 2pojA9 ALA 184 HA -1.18 0.40 0.84 -0.75 4.34 3.65 2pojA9 ALA 184 HB3 -0.39 -0.01 -0.26 -0.04 1.41 0.72 2pojA9 PHE 185 H -0.43 0.14 -0.26 -0.55 8.34 7.25 2pojA9 PHE 185 HA -0.16 0.22 0.68 -0.75 4.62 4.61 2pojA9 PHE 185 HB2 -0.06 -0.19 0.18 -0.04 3.15 3.05 2pojA9 PHE 185 HB3 -0.05 -0.05 0.15 -0.04 3.06 3.06 2pojA9 PHE 185 HD2 -0.09 -0.04 0.00 -0.04 7.28 7.12 2pojA9 PHE 185 HE2 0.06 0.02 -0.03 -0.04 7.38 7.40 2pojA9 PHE 185 HZ 0.09 -0.03 -0.02 -0.04 7.32 7.32 2pojA9 GLY 186 H 0.18 -0.02 0.01 -0.55 8.43 8.05 2pojA9 GLY 186 HA2 -0.10 0.22 0.67 -0.51 4.01 4.29 2pojA9 GLY 186 HA3 -0.12 0.10 0.32 -0.51 4.01 3.80 2pojA9 PRO 187 HA 0.06 0.13 0.37 -0.51 4.44 4.49 2pojA9 PRO 187 HB2 0.03 0.02 0.19 -0.04 2.28 2.48 2pojA9 PRO 187 HB3 -0.14 0.18 -0.20 -0.04 2.02 1.82 2pojA9 PRO 187 HG2 -0.02 -0.00 0.07 -0.04 2.03 2.04 2pojA9 PRO 187 HG3 -0.09 -0.02 0.02 -0.04 2.03 1.91 2pojA9 PRO 187 HD2 -0.05 0.03 0.09 -0.04 3.68 3.71 2pojA9 PRO 187 HD3 -0.20 0.17 0.03 -0.04 3.65 3.61 2pojA9 GLY 188 H 0.47 0.79 0.26 -0.55 8.43 9.40 2pojA9 GLY 188 HA2 0.09 0.22 0.97 -0.51 4.01 4.79 2pojA9 GLY 188 HA3 0.08 -0.12 0.31 -0.51 4.01 3.78 2pojA9 SER 189 H 0.03 0.17 0.20 -0.55 8.46 8.30 2pojA9 SER 189 HA -0.03 0.27 0.89 -0.75 4.49 4.86 2pojA9 SER 189 HB2 -0.02 0.07 0.08 -0.04 3.95 4.04 2pojA9 SER 189 HB3 0.01 0.02 0.11 -0.04 3.93 4.03 2pojA9 GLY 190 H -0.05 0.22 0.12 -0.55 8.43 8.17 2pojA9 GLY 190 HA2 -0.02 0.06 0.42 -0.51 4.01 3.96 2pojA9 GLY 190 HA3 -0.01 0.04 0.40 -0.51 4.01 3.93 2pojA9 ILE 191 H -0.00 0.75 0.56 -0.55 8.25 9.00 2pojA9 ILE 191 HA 0.06 0.20 0.82 -0.75 4.18 4.51 2pojA9 ILE 191 HB 0.06 -0.03 0.17 -0.04 1.89 2.05 2pojA9 ILE 191 HG12 -0.02 0.04 0.16 -0.04 1.49 1.63 2pojA9 ILE 191 HG13 -0.08 -0.02 -0.12 -0.04 1.21 0.95 2pojA9 ILE 191 HG23 0.02 0.01 -0.04 -0.04 0.93 0.87 2pojA9 ILE 191 HD13 -0.05 -0.01 0.02 -0.04 0.88 0.80 2pojA9 GLY 192 H 0.04 0.02 -0.85 -0.55 8.43 7.10 2pojA9 GLY 192 HA2 0.06 -0.03 0.37 -0.51 4.01 3.89 2pojA9 GLY 192 HA3 0.16 0.09 0.06 -0.51 4.01 3.81 2pojA9 GLY 193 H 0.27 -0.06 0.12 -0.55 8.43 8.21 2pojA9 GLY 193 HA2 0.13 -0.03 -0.16 -0.51 4.01 3.43 2pojA9 GLY 193 HA3 0.29 0.18 0.27 -0.51 4.01 4.23 2pojA9 ASP 194 H 0.35 0.06 -0.88 -0.55 8.40 7.38 2pojA9 ASP 194 HA 0.05 -0.20 0.57 -0.75 4.63 4.30 2pojA9 ASP 194 HB2 0.50 0.05 0.19 -0.04 2.71 3.41 2pojA9 ASP 194 HB3 0.37 -0.06 0.01 -0.04 2.70 2.98 2pojA9 ALA 195 H -0.08 0.08 0.07 -0.55 8.40 7.93 2pojA9 ALA 195 HA -0.58 0.07 0.61 -0.75 4.34 3.69 2pojA9 ALA 195 HB3 -0.12 -0.02 -0.15 -0.04 1.41 1.08 2pojA9 HIS 196 H -0.68 0.66 0.27 -0.55 8.41 8.11 2pojA9 HIS 196 HA -0.16 0.16 1.05 -0.75 4.63 4.92 2pojA9 HIS 196 HB2 -0.19 -0.05 0.15 -0.04 3.26 3.13 2pojA9 HIS 196 HB3 -0.07 -0.04 0.07 -0.04 3.20 3.12 2pojA9 HIS 196 HD2 -0.21 0.16 -0.56 -0.04 6.97 6.32 2pojA9 HIS 196 HE1 -0.15 -0.04 -0.05 -0.04 7.75 7.47 2pojA9 PHE 197 H 0.08 0.29 0.08 -0.55 8.34 8.23 2pojA9 PHE 197 HA 0.03 0.23 1.08 -0.75 4.62 5.20 2pojA9 PHE 197 HB2 -0.97 -0.11 -0.02 -0.04 3.15 2.01 2pojA9 PHE 197 HB3 -1.25 0.08 -0.08 -0.04 3.06 1.77 2pojA9 PHE 197 HD2 -1.05 -0.01 -0.24 -0.04 7.28 5.94 2pojA9 PHE 197 HE2 -0.29 0.00 -0.34 -0.04 7.38 6.72 2pojA9 PHE 197 HZ -0.22 0.04 -0.19 -0.04 7.32 6.91 2pojA9 ASP 198 H 0.11 0.72 0.29 -0.55 8.40 8.97 2pojA9 ASP 198 HA -0.53 0.22 0.64 -0.75 4.63 4.21 2pojA9 ASP 198 HB2 -1.15 0.19 0.11 -0.04 2.71 1.81 2pojA9 ASP 198 HB3 -0.12 0.02 0.20 -0.04 2.70 2.76 2pojA9 GLU 199 H 0.20 0.77 0.21 -0.55 8.60 9.23 2pojA9 GLU 199 HA 0.52 0.05 0.30 -0.75 4.29 4.40 2pojA9 GLU 199 HB2 0.23 0.07 -0.28 -0.04 2.09 2.07 2pojA9 GLU 199 HB3 0.15 -0.10 -0.16 -0.04 1.99 1.84 2pojA9 GLU 199 HG2 0.14 -0.06 0.02 -0.04 2.34 2.40 2pojA9 GLU 199 HG3 0.10 0.04 -0.07 -0.04 2.34 2.38 2pojA9 ASP 200 H 0.07 0.00 -0.21 -0.55 8.40 7.71 2pojA9 ASP 200 HA -0.00 0.07 0.30 -0.75 4.63 4.24 2pojA9 ASP 200 HB2 -0.02 -0.03 -0.03 -0.04 2.71 2.60 2pojA9 ASP 200 HB3 -0.03 -0.09 0.03 -0.04 2.70 2.58 2pojA9 GLU 201 H -0.06 0.28 -0.88 -0.55 8.60 7.39 2pojA9 GLU 201 HA -0.26 -0.00 0.50 -0.75 4.29 3.78 2pojA9 GLU 201 HB2 -1.32 0.14 -0.03 -0.04 2.09 0.83 2pojA9 GLU 201 HB3 -0.85 -0.14 0.03 -0.04 1.99 1.00 2pojA9 GLU 201 HG2 -0.19 -0.10 -0.14 -0.04 2.34 1.86 2pojA9 GLU 201 HG3 -0.36 0.06 0.01 -0.04 2.34 2.02 2pojA9 PHE 202 H -0.27 0.09 0.10 -0.55 8.34 7.71 2pojA9 PHE 202 HA -0.18 0.24 0.82 -0.75 4.62 4.76 2pojA9 PHE 202 HB2 -0.15 0.06 0.10 -0.04 3.15 3.12 2pojA9 PHE 202 HB3 -0.16 -0.15 0.25 -0.04 3.06 2.96 2pojA9 PHE 202 HD2 -0.05 0.01 -0.26 -0.04 7.28 6.94 2pojA9 PHE 202 HE2 0.01 0.07 -0.01 -0.04 7.38 7.41 2pojA9 PHE 202 HZ 0.02 0.01 0.00 -0.04 7.32 7.31 2pojA9 TRP 203 H -0.04 0.31 -0.02 -0.55 7.97 7.67 2pojA9 TRP 203 HA 0.08 0.23 0.49 -0.75 4.62 4.67 2pojA9 TRP 203 HB2 -0.06 -0.10 -0.01 -0.04 3.23 3.02 2pojA9 TRP 203 HB3 0.04 0.01 -0.06 -0.04 3.23 3.18 2pojA9 TRP 203 HD1 -0.03 -0.04 -0.01 -0.04 7.22 7.09 2pojA9 TRP 203 HE1 0.14 0.17 -0.40 -0.04 10.20 10.07 2pojA9 TRP 203 HE3 0.10 0.24 -0.14 -0.04 7.59 7.75 2pojA9 TRP 203 HZ2 0.05 -0.00 0.06 -0.04 7.44 7.51 2pojA9 TRP 203 HZ3 0.08 -0.02 -0.16 -0.04 7.13 6.98 2pojA9 TRP 203 HH2 0.08 0.08 -0.15 -0.04 7.19 7.16 2pojA9 THR 204 H 0.17 0.31 -0.21 -0.55 8.28 7.99 2pojA9 THR 204 HA 0.03 0.27 0.69 -0.75 4.39 4.63 2pojA9 THR 204 HB -1.18 -0.23 0.14 -0.04 4.32 3.01 2pojA9 THR 204 HG23 0.17 0.05 -0.27 -0.04 1.22 1.13 2pojA9 THR 205 H -0.47 0.21 0.12 -0.55 8.28 7.59 2pojA9 THR 205 HA 0.07 0.12 0.92 -0.75 4.39 4.74 2pojA9 THR 205 HB 0.05 0.06 0.21 -0.04 4.32 4.61 2pojA9 THR 205 HG23 0.06 -0.01 0.03 -0.04 1.22 1.26 2pojA9 HIS 206 H -0.61 0.07 -0.19 -0.55 8.41 7.13 2pojA9 HIS 206 HA 0.04 0.27 0.87 -0.75 4.63 5.05 2pojA9 HIS 206 HB2 -0.12 -0.12 0.12 -0.04 3.26 3.10 2pojA9 HIS 206 HB3 -0.04 0.13 0.08 -0.04 3.20 3.33 2pojA9 HIS 206 HD2 -0.13 -0.02 0.01 -0.04 6.97 6.78 2pojA9 HIS 206 HE1 0.03 0.07 0.03 -0.04 7.75 7.84 2pojA9 SER 207 H -0.19 0.16 0.13 -0.55 8.46 8.02 2pojA9 SER 207 HA -2.29 0.06 0.40 -0.75 4.49 1.90 2pojA9 SER 207 HB2 -0.51 0.06 0.11 -0.04 3.95 3.56 2pojA9 SER 207 HB3 -0.39 -0.04 0.12 -0.04 3.93 3.58 2pojA9 GLY 208 H -0.10 -0.16 -0.45 -0.55 8.43 7.17 2pojA9 GLY 208 HA2 -0.14 0.08 0.33 -0.51 4.01 3.77 2pojA9 GLY 208 HA3 -0.09 -0.11 0.32 -0.51 4.01 3.62 2pojA9 GLY 209 H -0.25 -0.05 0.01 -0.55 8.43 7.59 2pojA9 GLY 209 HA2 -0.15 -0.00 0.37 -0.51 4.01 3.72 2pojA9 GLY 209 HA3 -0.10 0.21 0.32 -0.51 4.01 3.94 2pojA9 THR 210 H -0.19 0.28 0.12 -0.55 8.28 7.95 2pojA9 THR 210 HA 0.06 0.09 0.42 -0.75 4.39 4.21 2pojA9 THR 210 HB -0.72 -0.06 -0.01 -0.04 4.32 3.49 2pojA9 THR 210 HG23 -0.17 0.01 -0.17 -0.04 1.22 0.85 2pojA9 ASN 211 H 0.26 0.31 0.21 -0.55 8.53 8.76 2pojA9 ASN 211 HA 0.20 0.21 0.33 -0.75 4.76 4.75 2pojA9 ASN 211 HB2 0.48 0.17 0.09 -0.04 2.88 3.58 2pojA9 ASN 211 HB3 0.32 -0.14 0.08 -0.04 2.79 3.01 2pojA9 ASN 211 HD21 0.16 0.14 -0.22 -0.04 7.03 7.07 2pojA9 ASN 211 HD22 0.25 0.03 -0.20 -0.04 7.74 7.78 2pojA9 LEU 212 H 0.25 0.52 0.30 -0.55 8.37 8.89 2pojA9 LEU 212 HA 0.26 0.13 0.36 -0.75 4.35 4.35 2pojA9 LEU 212 HB2 0.15 0.03 0.01 -0.04 1.64 1.78 2pojA9 LEU 212 HB3 0.15 -0.04 0.04 -0.04 1.64 1.74 2pojA9 LEU 212 HG 0.01 -0.00 -0.33 -0.04 1.64 1.27 2pojA9 LEU 212 HD13 -0.36 0.01 -0.08 -0.04 0.93 0.45 2pojA9 LEU 212 HD23 0.03 0.00 -0.06 -0.04 0.89 0.81 2pojA9 PHE 213 H 0.31 0.09 -0.12 -0.55 8.34 8.06 2pojA9 PHE 213 HA 0.08 0.23 0.31 -0.75 4.62 4.48 2pojA9 PHE 213 HB2 0.12 -0.02 0.16 -0.04 3.15 3.37 2pojA9 PHE 213 HB3 0.08 -0.09 0.10 -0.04 3.06 3.12 2pojA9 PHE 213 HD2 0.02 0.09 0.03 -0.04 7.28 7.39 2pojA9 PHE 213 HE2 0.05 0.04 -0.29 -0.04 7.38 7.14 2pojA9 PHE 213 HZ 0.22 0.11 -0.10 -0.04 7.32 7.51 2pojA9 LEU 214 H -0.10 0.07 -0.19 -0.55 8.37 7.60 2pojA9 LEU 214 HA -0.97 0.07 0.36 -0.75 4.35 3.06 2pojA9 LEU 214 HB2 0.00 0.04 0.02 -0.04 1.64 1.66 2pojA9 LEU 214 HB3 -0.57 0.08 -0.01 -0.04 1.64 1.10 2pojA9 LEU 214 HG -0.18 -0.12 0.05 -0.04 1.64 1.34 2pojA9 LEU 214 HD13 -0.33 0.01 0.05 -0.04 0.93 0.62 2pojA9 LEU 214 HD23 -1.15 0.06 -0.00 -0.04 0.89 -0.24 2pojA9 THR 215 H 0.31 0.41 -0.23 -0.55 8.28 8.22 2pojA9 THR 215 HA 0.44 0.04 0.24 -0.75 4.39 4.36 2pojA9 THR 215 HB 0.41 0.03 -0.09 -0.04 4.32 4.62 2pojA9 THR 215 HG23 0.42 -0.01 -0.12 -0.04 1.22 1.46 2pojA9 ALA 216 H 0.13 0.52 -0.57 -0.55 8.40 7.94 2pojA9 ALA 216 HA 0.19 -0.01 0.38 -0.75 4.34 4.15 2pojA9 ALA 216 HB3 0.03 0.02 0.03 -0.04 1.41 1.45 2pojA9 VAL 217 H -0.01 0.58 0.05 -0.55 8.24 8.31 2pojA9 VAL 217 HA 0.17 0.02 0.31 -0.75 4.13 3.87 2pojA9 VAL 217 HB 0.20 -0.01 0.09 -0.04 2.12 2.35 2pojA9 VAL 217 HG13 0.10 0.03 0.04 -0.04 0.97 1.09 2pojA9 VAL 217 HG23 -0.30 -0.01 0.16 -0.04 0.95 0.75 2pojA9 HIS 218 H 0.26 0.49 -0.11 -0.55 8.41 8.51 2pojA9 HIS 218 HA 0.23 -0.02 0.33 -0.75 4.63 4.42 2pojA9 HIS 218 HB2 0.18 -0.01 0.01 -0.04 3.26 3.40 2pojA9 HIS 218 HB3 0.16 0.04 0.01 -0.04 3.20 3.36 2pojA9 HIS 218 HD2 -0.03 -0.07 -0.10 -0.04 6.97 6.73 2pojA9 HIS 218 HE1 0.19 -0.01 -0.12 -0.04 7.75 7.77 2pojA9 ALA 219 H 0.05 0.27 -0.62 -0.55 8.40 7.56 2pojA9 ALA 219 HA -0.35 0.01 0.31 -0.75 4.34 3.55 2pojA9 ALA 219 HB3 -0.07 -0.02 0.04 -0.04 1.41 1.32 2pojA9 ILE 220 H -0.23 0.61 -0.16 -0.55 8.25 7.92 2pojA9 ILE 220 HA -0.21 0.05 0.43 -0.75 4.18 3.69 2pojA9 ILE 220 HB -0.54 0.09 -0.00 -0.04 1.89 1.40 2pojA9 ILE 220 HG12 -0.93 -0.09 -0.06 -0.04 1.49 0.37 2pojA9 ILE 220 HG13 -0.41 0.12 0.05 -0.04 1.21 0.93 2pojA9 ILE 220 HG23 -0.24 -0.03 -0.06 -0.04 0.93 0.55 2pojA9 ILE 220 HD13 -1.23 -0.04 -0.24 -0.04 0.88 -0.66 2pojA9 GLY 221 H -0.51 0.40 -0.27 -0.55 8.43 7.50 2pojA9 GLY 221 HA2 -1.00 -0.01 0.31 -0.51 4.01 2.81 2pojA9 GLY 221 HA3 -0.86 0.06 0.25 -0.51 4.01 2.95 2pojA9 HIS 222 H -0.42 0.37 -0.36 -0.55 8.41 7.45 2pojA9 HIS 222 HA -0.22 0.10 0.47 -0.75 4.63 4.22 2pojA9 HIS 222 HB2 -0.33 0.06 0.07 -0.04 3.26 3.01 2pojA9 HIS 222 HB3 -0.23 0.15 -0.11 -0.04 3.20 2.97 2pojA9 HIS 222 HD2 -0.49 -0.04 -0.04 -0.04 6.97 6.36 2pojA9 HIS 222 HE1 0.06 -0.02 -0.15 -0.04 7.75 7.59 2pojA9 SER 223 H -0.18 0.20 -0.22 -0.55 8.46 7.72 2pojA9 SER 223 HA -0.02 0.02 0.17 -0.75 4.49 3.91 2pojA9 SER 223 HB2 0.01 -0.01 0.07 -0.04 3.95 3.98 2pojA9 SER 223 HB3 0.14 -0.03 0.14 -0.04 3.93 4.14 2pojA9 LEU 224 H -0.28 0.36 -0.49 -0.55 8.37 7.42 2pojA9 LEU 224 HA -0.75 0.02 0.49 -0.75 4.35 3.36 2pojA9 LEU 224 HB2 -0.27 0.19 0.11 -0.04 1.64 1.63 2pojA9 LEU 224 HB3 0.10 -0.05 -0.01 -0.04 1.64 1.65 2pojA9 LEU 224 HG -0.24 0.11 -0.09 -0.04 1.64 1.38 2pojA9 LEU 224 HD13 -0.28 -0.03 -0.13 -0.04 0.93 0.44 2pojA9 LEU 224 HD23 0.10 -0.02 -0.05 -0.04 0.89 0.88 2pojA9 GLY 225 H -0.30 0.28 -0.17 -0.55 8.43 7.69 2pojA9 GLY 225 HA2 -0.26 0.00 0.28 -0.51 4.01 3.52 2pojA9 GLY 225 HA3 -0.41 0.12 0.92 -0.51 4.01 4.13 2pojA9 LEU 226 H -0.23 0.25 0.25 -0.55 8.37 8.09 2pojA9 LEU 226 HA -0.11 0.10 0.58 -0.75 4.35 4.16 2pojA9 LEU 226 HB2 -0.33 0.18 -0.12 -0.04 1.64 1.34 2pojA9 LEU 226 HB3 -0.16 -0.04 -0.13 -0.04 1.64 1.28 2pojA9 LEU 226 HG -0.22 0.04 -0.06 -0.04 1.64 1.36 2pojA9 LEU 226 HD13 -0.42 -0.04 -0.02 -0.04 0.93 0.41 2pojA9 LEU 226 HD23 -0.04 -0.02 -0.23 -0.04 0.89 0.56 2pojA9 GLY 227 H 0.00 0.12 -0.14 -0.55 8.43 7.87 2pojA9 GLY 227 HA2 0.07 0.27 0.70 -0.51 4.01 4.54 2pojA9 GLY 227 HA3 0.05 -0.01 -0.16 -0.51 4.01 3.38 2pojA9 HIS 228 H 0.14 0.24 0.02 -0.55 8.41 8.26 2pojA9 HIS 228 HA 0.08 0.25 0.87 -0.75 4.63 5.08 2pojA9 HIS 228 HB2 0.02 -0.05 0.00 -0.04 3.26 3.20 2pojA9 HIS 228 HB3 -0.02 0.03 -0.09 -0.04 3.20 3.07 2pojA9 HIS 228 HD2 -0.05 -0.07 -0.01 -0.04 6.97 6.79 2pojA9 HIS 228 HE1 0.54 -0.03 -0.05 -0.04 7.75 8.16 2pojA9 SER 229 H 0.06 0.19 -0.18 -0.55 8.46 7.98 2pojA9 SER 229 HA 0.06 0.17 0.92 -0.75 4.49 4.89 2pojA9 SER 229 HB2 0.14 -0.03 -0.01 -0.04 3.95 4.01 2pojA9 SER 229 HB3 0.10 -0.15 0.13 -0.04 3.93 3.97 2pojA9 SER 230 H 0.07 0.12 0.17 -0.55 8.46 8.26 2pojA9 SER 230 HA 0.34 0.28 0.79 -0.75 4.49 5.15 2pojA9 SER 230 HB2 -0.02 0.04 0.04 -0.04 3.95 3.97 2pojA9 SER 230 HB3 0.04 -0.01 0.02 -0.04 3.93 3.93 2pojA9 ASP 231 H 0.13 -0.10 -0.06 -0.55 8.40 7.82 2pojA9 ASP 231 HA -0.05 0.21 0.49 -0.75 4.63 4.52 2pojA9 ASP 231 HB2 0.03 -0.07 0.16 -0.04 2.71 2.79 2pojA9 ASP 231 HB3 -0.06 -0.19 0.01 -0.04 2.70 2.41 2pojA9 PRO 232 HA -0.75 0.16 0.40 -0.51 4.44 3.74 2pojA9 PRO 232 HB2 -0.18 0.04 0.08 -0.04 2.28 2.19 2pojA9 PRO 232 HB3 -0.20 0.07 0.14 -0.04 2.02 1.99 2pojA9 PRO 232 HG2 -0.12 0.01 0.01 -0.04 2.03 1.89 2pojA9 PRO 232 HG3 -0.10 0.07 0.09 -0.04 2.03 2.05 2pojA9 PRO 232 HD2 -0.10 -0.01 0.23 -0.04 3.68 3.76 2pojA9 PRO 232 HD3 -0.11 0.26 0.25 -0.04 3.65 4.01 2pojA9 LYS 233 H -0.20 -0.14 -0.73 -0.55 8.42 6.80 2pojA9 LYS 233 HA -0.13 0.27 0.61 -0.75 4.32 4.32 2pojA9 LYS 233 HB2 -0.08 0.06 0.14 -0.04 1.87 1.95 2pojA9 LYS 233 HB3 -0.10 0.08 -0.19 -0.04 1.79 1.54 2pojA9 LYS 233 HG2 -0.08 -0.13 -0.21 -0.04 1.46 1.00 2pojA9 LYS 233 HG3 -0.07 0.07 -0.00 -0.04 1.46 1.41 2pojA9 LYS 233 HD2 -0.11 -0.08 -0.14 -0.04 1.69 1.32 2pojA9 LYS 233 HD3 -0.07 -0.08 -0.03 -0.04 1.68 1.47 2pojA9 LYS 233 HE2 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2pojA9 LYS 233 HE3 -0.06 0.07 -0.04 -0.04 2.99 2.91 2pojA9 ALA 234 H -0.14 0.39 -0.15 -0.55 8.40 7.94 2pojA9 ALA 234 HA 0.01 0.00 0.82 -0.75 4.34 4.42 2pojA9 ALA 234 HB3 0.07 0.01 0.09 -0.04 1.41 1.54 2pojA9 VAL 235 H 0.08 0.03 0.23 -0.55 8.24 8.04 2pojA9 VAL 235 HA 0.12 0.18 0.34 -0.75 4.13 4.02 2pojA9 VAL 235 HB 0.24 -0.14 0.16 -0.04 2.12 2.34 2pojA9 VAL 235 HG13 0.53 0.03 -0.19 -0.04 0.97 1.29 2pojA9 VAL 235 HG23 0.31 0.01 0.00 -0.04 0.95 1.23 2pojA9 MET 236 H 0.18 -0.14 -0.29 -0.55 8.47 7.67 2pojA9 MET 236 HA 0.15 0.21 0.35 -0.75 4.52 4.48 2pojA9 MET 236 HB2 0.11 -0.20 -0.04 -0.04 2.15 1.98 2pojA9 MET 236 HB3 0.13 0.22 0.02 -0.04 2.03 2.36 2pojA9 MET 236 HG2 0.19 -0.21 -0.05 -0.04 2.63 2.52 2pojA9 MET 236 HG3 0.13 0.05 -0.19 -0.04 2.56 2.52 2pojA9 MET 236 HE3 -0.15 0.02 -0.16 -0.04 2.10 1.78 2pojA9 PHE 237 H 0.16 0.23 -0.58 -0.55 8.34 7.60 2pojA9 PHE 237 HA -0.20 0.14 0.43 -0.75 4.62 4.23 2pojA9 PHE 237 HB2 -0.06 0.04 0.16 -0.04 3.15 3.25 2pojA9 PHE 237 HB3 -0.08 -0.00 0.00 -0.04 3.06 2.94 2pojA9 PHE 237 HD2 -0.05 -0.14 -0.16 -0.04 7.28 6.89 2pojA9 PHE 237 HE2 -0.02 -0.04 -0.07 -0.04 7.38 7.20 2pojA9 PHE 237 HZ -0.02 -0.03 -0.04 -0.04 7.32 7.18 2pojA9 PRO 238 HA -0.14 0.13 0.39 -0.51 4.44 4.31 2pojA9 PRO 238 HB2 -0.08 -0.03 0.07 -0.04 2.28 2.20 2pojA9 PRO 238 HB3 -0.02 0.04 0.13 -0.04 2.02 2.12 2pojA9 PRO 238 HG2 -0.51 -0.01 -0.01 -0.04 2.03 1.47 2pojA9 PRO 238 HG3 -0.36 0.03 0.06 -0.04 2.03 1.71 2pojA9 PRO 238 HD2 -2.05 0.07 0.22 -0.04 3.68 1.87 2pojA9 PRO 238 HD3 -0.72 0.17 0.22 -0.04 3.65 3.28 2pojA9 THR 239 H 0.15 0.01 -0.75 -0.55 8.28 7.15 2pojA9 THR 239 HA 0.11 0.09 0.73 -0.75 4.39 4.57 2pojA9 THR 239 HB 0.34 0.02 -0.07 -0.04 4.32 4.56 2pojA9 THR 239 HG23 0.10 0.01 -0.12 -0.04 1.22 1.16 2pojA9 TYR 240 H 0.16 0.16 0.15 -0.55 8.29 8.21 2pojA9 TYR 240 HA -0.00 0.22 0.88 -0.75 4.56 4.90 2pojA9 TYR 240 HB2 0.01 0.10 -0.12 -0.04 3.06 3.00 2pojA9 TYR 240 HB3 0.03 -0.04 0.06 -0.04 2.98 2.99 2pojA9 TYR 240 HD2 0.02 0.06 -0.22 -0.04 7.15 6.97 2pojA9 TYR 240 HE2 0.08 -0.05 -0.18 -0.04 6.85 6.66 2pojA9 LYS 241 H -0.60 0.25 0.05 -0.55 8.42 7.56 2pojA9 LYS 241 HA -0.00 0.06 0.65 -0.75 4.32 4.28 2pojA9 LYS 241 HB2 -0.10 -0.00 -0.10 -0.04 1.87 1.63 2pojA9 LYS 241 HB3 -0.04 0.07 -0.03 -0.04 1.79 1.75 2pojA9 LYS 241 HG2 0.02 0.01 0.10 -0.04 1.46 1.55 2pojA9 LYS 241 HG3 0.01 0.00 -0.57 -0.04 1.46 0.86 2pojA9 LYS 241 HD2 -0.02 -0.00 -0.05 -0.04 1.69 1.58 2pojA9 LYS 241 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.59 2pojA9 LYS 241 HE2 -0.00 -0.02 -0.16 -0.04 2.99 2.76 2pojA9 LYS 241 HE3 -0.05 0.01 -0.13 -0.04 2.99 2.78 2pojA9 TYR 242 H 0.10 0.15 0.13 -0.55 8.29 8.12 2pojA9 TYR 242 HA -0.15 -0.02 0.42 -0.75 4.56 4.05 2pojA9 TYR 242 HB2 0.03 0.11 0.16 -0.04 3.06 3.33 2pojA9 TYR 242 HB3 -0.00 0.02 0.14 -0.04 2.98 3.09 2pojA9 TYR 242 HD2 0.03 0.01 -0.06 -0.04 7.15 7.09 2pojA9 TYR 242 HE2 0.06 -0.01 -0.19 -0.04 6.85 6.67 2pojA9 VAL 243 H -0.76 0.12 0.12 -0.55 8.24 7.17 2pojA9 VAL 243 HA -0.30 0.06 0.58 -0.75 4.13 3.72 2pojA9 VAL 243 HB -0.06 0.03 -0.13 -0.04 2.12 1.92 2pojA9 VAL 243 HG13 -0.08 0.04 -0.12 -0.04 0.97 0.77 2pojA9 VAL 243 HG23 -0.24 0.05 -0.06 -0.04 0.95 0.66 2pojA9 ASP 244 H -0.19 0.19 0.09 -0.55 8.40 7.94 2pojA9 ASP 244 HA -0.11 0.03 0.42 -0.75 4.63 4.21 2pojA9 ASP 244 HB2 -0.01 0.08 0.14 -0.04 2.71 2.89 2pojA9 ASP 244 HB3 -0.00 0.03 0.11 -0.04 2.70 2.79 2pojA9 ILE 245 H 0.08 0.14 0.23 -0.55 8.25 8.16 2pojA9 ILE 245 HA 0.43 0.13 0.41 -0.75 4.18 4.39 2pojA9 ILE 245 HB 0.03 -0.03 0.15 -0.04 1.89 2.01 2pojA9 ILE 245 HG12 0.04 0.07 -0.10 -0.04 1.49 1.45 2pojA9 ILE 245 HG13 0.33 0.04 0.07 -0.04 1.21 1.61 2pojA9 ILE 245 HG23 0.03 -0.02 -0.02 -0.04 0.93 0.88 2pojA9 ILE 245 HD13 -0.70 -0.00 -0.02 -0.04 0.88 0.12 2pojA9 ASN 246 H 0.06 -0.05 -0.34 -0.55 8.53 7.65 2pojA9 ASN 246 HA 0.04 0.17 0.46 -0.75 4.76 4.68 2pojA9 ASN 246 HB2 0.03 0.02 0.06 -0.04 2.88 2.95 2pojA9 ASN 246 HB3 0.03 -0.12 0.04 -0.04 2.79 2.70 2pojA9 ASN 246 HD21 0.02 -0.09 -0.26 -0.04 7.03 6.65 2pojA9 ASN 246 HD22 0.01 0.02 -0.15 -0.04 7.74 7.57 2pojA9 THR 247 H 0.06 0.23 -0.44 -0.55 8.28 7.58 2pojA9 THR 247 HA 0.00 0.20 0.81 -0.75 4.39 4.64 2pojA9 THR 247 HB -0.00 0.01 0.02 -0.04 4.32 4.30 2pojA9 THR 247 HG23 0.00 -0.01 -0.08 -0.04 1.22 1.10 2pojA9 PHE 248 H 0.17 0.32 -0.03 -0.55 8.34 8.25 2pojA9 PHE 248 HA -0.09 0.01 0.39 -0.75 4.62 4.19 2pojA9 PHE 248 HB2 -0.08 0.01 -0.10 -0.04 3.15 2.94 2pojA9 PHE 248 HB3 0.06 0.01 0.04 -0.04 3.06 3.13 2pojA9 PHE 248 HD2 -0.05 0.04 -0.07 -0.04 7.28 7.17 2pojA9 PHE 248 HE2 -0.20 0.02 -0.07 -0.04 7.38 7.09 2pojA9 PHE 248 HZ -0.20 -0.03 -0.06 -0.04 7.32 7.00 2pojA9 ARG 249 H -0.84 0.12 0.08 -0.55 8.46 7.26 2pojA9 ARG 249 HA -0.67 0.01 0.42 -0.75 4.34 3.36 2pojA9 ARG 249 HB2 -0.25 0.02 -0.03 -0.04 1.90 1.60 2pojA9 ARG 249 HB3 -0.21 0.23 0.02 -0.04 1.80 1.80 2pojA9 ARG 249 HG2 -0.19 -0.01 -0.22 -0.04 1.67 1.20 2pojA9 ARG 249 HG3 -0.18 -0.07 -0.09 -0.04 1.67 1.29 2pojA9 ARG 249 HD2 -0.08 -0.05 -0.07 -0.04 3.22 2.98 2pojA9 ARG 249 HD3 -0.10 -0.06 -0.08 -0.04 3.22 2.94 2pojA9 LEU 250 H -0.61 0.19 0.12 -0.55 8.37 7.53 2pojA9 LEU 250 HA -0.39 -0.11 0.46 -0.75 4.35 3.55 2pojA9 LEU 250 HB2 -0.33 0.08 0.11 -0.04 1.64 1.46 2pojA9 LEU 250 HB3 -0.34 -0.12 0.07 -0.04 1.64 1.21 2pojA9 LEU 250 HG -0.73 -0.02 0.12 -0.04 1.64 0.96 2pojA9 LEU 250 HD13 -0.75 0.02 0.05 -0.04 0.93 0.21 2pojA9 LEU 250 HD23 -1.57 -0.03 -0.03 -0.04 0.89 -0.78 2pojA9 SER 251 H -0.12 -0.09 0.34 -0.55 8.46 8.05 2pojA9 SER 251 HA -0.10 0.29 0.57 -0.75 4.49 4.50 2pojA9 SER 251 HB2 -0.07 0.49 0.06 -0.04 3.95 4.39 2pojA9 SER 251 HB3 -0.02 -0.30 0.13 -0.04 3.93 3.70 2pojA9 ALA 252 H -0.03 0.23 0.17 -0.55 8.40 8.21 2pojA9 ALA 252 HA -0.01 0.17 0.36 -0.75 4.34 4.11 2pojA9 ALA 252 HB3 0.00 0.04 0.10 -0.04 1.41 1.50 2pojA9 ASP 253 H 0.02 0.01 -0.29 -0.55 8.40 7.59 2pojA9 ASP 253 HA 0.07 0.20 0.41 -0.75 4.63 4.55 2pojA9 ASP 253 HB2 0.05 -0.11 0.11 -0.04 2.71 2.71 2pojA9 ASP 253 HB3 0.08 0.02 -0.02 -0.04 2.70 2.75 2pojA9 ASP 254 H 0.06 0.02 -0.18 -0.55 8.40 7.76 2pojA9 ASP 254 HA 0.23 0.07 0.43 -0.75 4.63 4.62 2pojA9 ASP 254 HB2 -0.01 0.14 0.16 -0.04 2.71 2.96 2pojA9 ASP 254 HB3 0.32 0.12 0.06 -0.04 2.70 3.16 2pojA9 ILE 255 H 0.04 0.52 -0.10 -0.55 8.25 8.16 2pojA9 ILE 255 HA 0.14 0.07 0.37 -0.75 4.18 4.01 2pojA9 ILE 255 HB 0.02 0.00 0.03 -0.04 1.89 1.90 2pojA9 ILE 255 HG12 -0.04 0.06 0.01 -0.04 1.49 1.48 2pojA9 ILE 255 HG13 -0.06 -0.11 -0.02 -0.04 1.21 0.98 2pojA9 ILE 255 HG23 0.04 0.03 -0.08 -0.04 0.93 0.87 2pojA9 ILE 255 HD13 -0.09 -0.03 -0.26 -0.04 0.88 0.46 2pojA9 ARG 256 H 0.08 0.37 -0.35 -0.55 8.46 8.01 2pojA9 ARG 256 HA 0.07 0.05 0.43 -0.75 4.34 4.14 2pojA9 ARG 256 HB2 0.07 0.01 0.22 -0.04 1.90 2.16 2pojA9 ARG 256 HB3 0.07 -0.00 -0.01 -0.04 1.80 1.82 2pojA9 ARG 256 HG2 0.04 0.01 0.07 -0.04 1.67 1.75 2pojA9 ARG 256 HG3 0.05 -0.13 -0.03 -0.04 1.67 1.52 2pojA9 ARG 256 HD2 0.04 -0.01 0.00 -0.04 3.22 3.22 2pojA9 ARG 256 HD3 0.04 0.04 0.04 -0.04 3.22 3.30 2pojA9 GLY 257 H 0.12 0.39 -0.16 -0.55 8.43 8.24 2pojA9 GLY 257 HA2 0.08 0.15 0.65 -0.51 4.01 4.38 2pojA9 GLY 257 HA3 0.10 0.11 0.49 -0.51 4.01 4.19 2pojA9 ILE 258 H 0.20 0.74 0.15 -0.55 8.25 8.80 2pojA9 ILE 258 HA 0.13 0.03 0.35 -0.75 4.18 3.94 2pojA9 ILE 258 HB 0.52 -0.03 0.10 -0.04 1.89 2.43 2pojA9 ILE 258 HG12 0.57 0.01 -0.08 -0.04 1.49 1.95 2pojA9 ILE 258 HG13 0.43 -0.01 -0.05 -0.04 1.21 1.54 2pojA9 ILE 258 HG23 0.31 0.01 -0.05 -0.04 0.93 1.16 2pojA9 ILE 258 HD13 -0.15 -0.02 -0.02 -0.04 0.88 0.66 2pojA9 GLN 259 H 0.15 0.35 -0.55 -0.55 8.47 7.88 2pojA9 GLN 259 HA 0.18 -0.02 0.70 -0.75 4.36 4.48 2pojA9 GLN 259 HB2 0.09 0.19 0.11 -0.04 2.15 2.50 2pojA9 GLN 259 HB3 0.09 -0.10 0.12 -0.04 2.02 2.08 2pojA9 GLN 259 HG2 0.14 -0.05 0.03 -0.04 2.40 2.47 2pojA9 GLN 259 HG3 0.12 0.18 0.11 -0.04 2.39 2.76 2pojA9 GLN 259 HE21 0.08 0.53 0.21 -0.04 6.97 7.74 2pojA9 GLN 259 HE22 0.05 -0.12 0.01 -0.04 7.69 7.59 2pojA9 SER 260 H 0.07 0.29 -0.39 -0.55 8.46 7.88 2pojA9 SER 260 HA 0.03 0.01 0.47 -0.75 4.49 4.24 2pojA9 SER 260 HB2 0.03 -0.01 0.22 -0.04 3.95 4.15 2pojA9 SER 260 HB3 0.03 0.21 0.36 -0.04 3.93 4.49 2pojA9 LEU 261 H -0.01 0.03 -0.53 -0.55 8.37 7.31 2pojA9 LEU 261 HA -0.11 0.21 0.86 -0.75 4.35 4.57 2pojA9 LEU 261 HB2 -0.38 -0.00 -0.04 -0.04 1.64 1.17 2pojA9 LEU 261 HB3 -0.33 -0.04 0.08 -0.04 1.64 1.31 2pojA9 LEU 261 HG -0.09 -0.01 -0.39 -0.04 1.64 1.12 2pojA9 LEU 261 HD13 -0.14 0.03 -0.03 -0.04 0.93 0.75 2pojA9 LEU 261 HD23 -0.13 0.02 0.04 -0.04 0.89 0.79 2pojA9 TYR 262 H 0.07 -0.09 -0.10 -0.55 8.29 7.62 2pojA9 TYR 262 HA 0.06 0.16 0.85 -0.75 4.56 4.87 2pojA9 TYR 262 HB2 0.09 0.23 0.17 -0.04 3.06 3.51 2pojA9 TYR 262 HB3 0.11 -0.09 -0.09 -0.04 2.98 2.86 2pojA9 TYR 262 HD2 0.10 0.12 -0.04 -0.04 7.15 7.28 2pojA9 TYR 262 HE2 0.06 -0.10 -0.06 -0.04 6.85 6.72 2pojA9 GLY 263 H 0.15 -0.04 0.18 -0.55 8.43 8.17 2pojA9 GLY 263 HA2 0.10 0.02 0.27 -0.51 4.01 3.90 2pojA9 GLY 263 HA3 0.08 0.06 0.29 -0.51 4.01 3.94