============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 10 0.840 22.268 -17.647 52.218 -99.200 -91.000 PHE 15 1.000 27.477 -12.329 53.020 -99.200 -91.000 TYR 21 0.840 21.440 -10.727 60.178 -99.200 -91.000 TRP 22 1.040 26.383 -15.867 66.053 -99.200 -91.000 TRP6 22 1.020 28.653 -16.318 66.522 -99.200 -91.000 TYR 34 0.840 36.394 -18.406 58.586 -99.200 -91.000 PHE 42 1.000 39.980 -10.616 61.839 -99.200 -91.000 TRP 43 1.040 45.410 -10.659 55.947 -99.200 -91.000 TRP6 43 1.020 46.166 -8.533 56.615 -99.200 -91.000 HIS 52 0.900 41.761 -41.191 65.529 -99.200 -91.000 TYR 60 0.840 46.569 -26.483 55.331 -99.200 -91.000 PHE 63 1.000 43.634 -14.420 54.213 -99.200 -91.000 PHE 69 1.000 50.074 -22.729 58.491 -99.200 -91.000 TRP 78 1.040 36.165 -34.014 60.934 -99.200 -91.000 TRP6 78 1.020 37.293 -33.411 58.951 -99.200 -91.000 PHE 80 1.000 36.236 -27.938 61.775 -99.200 -91.000 PHE 81 1.000 44.233 -27.219 64.620 -99.200 -91.000 PHE 84 1.000 45.135 -11.904 64.056 -99.200 -91.000 PHE 92 1.000 48.220 -16.350 57.830 -99.200 -91.000 TYR 110 0.840 27.429 -7.739 69.665 -99.200 -91.000 TRP 115 1.040 31.850 -10.924 68.981 -99.200 -91.000 TRP6 115 1.020 31.988 -10.883 71.339 -99.200 -91.000 PHE 117 1.000 29.581 -20.512 68.946 -99.200 -91.000 HIS 118 0.900 37.320 -20.363 72.892 -99.200 -91.000 HIS 142 0.900 38.232 -21.919 50.728 -99.200 -91.000 PHE 145 1.000 27.499 -18.613 53.684 -99.200 -91.000 TYR 146 0.840 22.923 -24.298 57.032 -99.200 -91.000 TYR 159 0.840 20.814 -25.257 64.676 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2aenG1 THR 60 HA -0.01 -0.07 0.16 -0.75 4.39 3.72 2aenG1 THR 60 HB -0.01 -0.02 -0.07 -0.04 4.32 4.18 2aenG1 THR 60 HG23 -0.01 -0.01 0.01 -0.04 1.22 1.17 2aenG1 VAL 61 H -0.00 0.19 0.06 -0.55 8.24 7.93 2aenG1 VAL 61 HA -0.00 0.18 0.82 -0.75 4.13 4.37 2aenG1 VAL 61 HB -0.00 -0.05 0.08 -0.04 2.12 2.10 2aenG1 VAL 61 HG13 -0.00 -0.01 -0.17 -0.04 0.97 0.75 2aenG1 VAL 61 HG23 -0.00 0.01 -0.15 -0.04 0.95 0.76 2aenG1 GLU 62 H -0.00 0.27 0.08 -0.55 8.60 8.41 2aenG1 GLU 62 HA 0.00 0.18 0.89 -0.75 4.29 4.60 2aenG1 GLU 62 HB2 0.00 0.00 -0.02 -0.04 2.09 2.04 2aenG1 GLU 62 HB3 0.01 0.07 0.02 -0.04 1.99 2.04 2aenG1 GLU 62 HG2 -0.00 -0.12 -0.48 -0.04 2.34 1.70 2aenG1 GLU 62 HG3 -0.01 -0.00 -0.12 -0.04 2.34 2.17 2aenG1 PRO 63 HA 0.01 0.01 0.50 -0.51 4.44 4.44 2aenG1 PRO 63 HB2 0.02 0.17 -0.02 -0.04 2.28 2.42 2aenG1 PRO 63 HB3 0.02 -0.02 0.11 -0.04 2.02 2.09 2aenG1 PRO 63 HG2 0.02 0.01 0.05 -0.04 2.03 2.07 2aenG1 PRO 63 HG3 0.02 0.01 0.07 -0.04 2.03 2.09 2aenG1 PRO 63 HD2 0.01 0.07 0.23 -0.04 3.68 3.95 2aenG1 PRO 63 HD3 0.01 0.12 0.14 -0.04 3.65 3.88 2aenG1 VAL 64 H 0.00 0.06 0.18 -0.55 8.24 7.93 2aenG1 VAL 64 HA -0.02 0.15 0.77 -0.75 4.13 4.28 2aenG1 VAL 64 HB -0.05 -0.00 0.13 -0.04 2.12 2.16 2aenG1 VAL 64 HG13 -0.02 0.00 0.04 -0.04 0.97 0.95 2aenG1 VAL 64 HG23 -0.01 0.04 -0.05 -0.04 0.95 0.89 2aenG1 LEU 65 H -0.12 0.10 0.07 -0.55 8.37 7.87 2aenG1 LEU 65 HA 0.03 0.04 0.46 -0.75 4.35 4.13 2aenG1 LEU 65 HB2 -0.33 0.01 -0.07 -0.04 1.64 1.21 2aenG1 LEU 65 HB3 -0.03 0.02 -0.11 -0.04 1.64 1.48 2aenG1 LEU 65 HG -0.42 0.02 -0.01 -0.04 1.64 1.20 2aenG1 LEU 65 HD13 -0.88 -0.00 -0.12 -0.04 0.93 -0.11 2aenG1 LEU 65 HD23 0.15 0.00 -0.10 -0.04 0.89 0.89 2aenG1 ASP 66 H 0.12 0.17 0.19 -0.55 8.40 8.34 2aenG1 ASP 66 HA 0.04 0.09 0.64 -0.75 4.63 4.65 2aenG1 ASP 66 HB2 0.12 0.01 0.21 -0.04 2.71 3.00 2aenG1 ASP 66 HB3 0.20 0.13 0.37 -0.04 2.70 3.36 2aenG1 GLY 67 H -0.12 0.33 0.27 -0.55 8.43 8.36 2aenG1 GLY 67 HA2 -0.81 -0.01 0.28 -0.51 4.01 2.96 2aenG1 GLY 67 HA3 -0.28 0.14 0.71 -0.51 4.01 4.07 2aenG1 PRO 68 HA -0.87 0.23 0.44 -0.51 4.44 3.73 2aenG1 PRO 68 HB2 -0.37 0.03 -0.06 -0.04 2.28 1.84 2aenG1 PRO 68 HB3 -0.62 0.02 -0.02 -0.04 2.02 1.36 2aenG1 PRO 68 HG2 -0.19 0.00 0.13 -0.04 2.03 1.93 2aenG1 PRO 68 HG3 -0.10 0.03 0.07 -0.04 2.03 1.98 2aenG1 PRO 68 HD2 -0.16 0.07 0.24 -0.04 3.68 3.79 2aenG1 PRO 68 HD3 -0.02 0.12 0.25 -0.04 3.65 3.96 2aenG1 TYR 69 H -0.63 0.59 0.39 -0.55 8.29 8.09 2aenG1 TYR 69 HA -0.37 0.02 0.59 -0.75 4.56 4.04 2aenG1 TYR 69 HB2 -2.11 0.01 0.09 -0.04 3.06 1.01 2aenG1 TYR 69 HB3 -0.75 0.08 -0.00 -0.04 2.98 2.26 2aenG1 TYR 69 HD2 -0.45 0.07 0.04 -0.04 7.15 6.77 2aenG1 TYR 69 HE2 -0.15 0.01 -0.12 -0.04 6.85 6.56 2aenG1 GLN 70 H -0.09 0.06 0.15 -0.55 8.47 8.04 2aenG1 GLN 70 HA -0.04 0.09 0.48 -0.75 4.36 4.14 2aenG1 GLN 70 HB2 -0.03 -0.03 0.10 -0.04 2.15 2.15 2aenG1 GLN 70 HB3 -0.01 0.06 0.12 -0.04 2.02 2.14 2aenG1 GLN 70 HG2 -0.12 0.02 0.04 -0.04 2.40 2.30 2aenG1 GLN 70 HG3 -0.06 -0.03 0.04 -0.04 2.39 2.30 2aenG1 GLN 70 HE21 -0.13 -0.07 -0.10 -0.04 6.97 6.63 2aenG1 GLN 70 HE22 -0.19 0.37 -0.20 -0.04 7.69 7.63 2aenG1 PRO 71 HA 0.16 0.14 0.31 -0.51 4.44 4.54 2aenG1 PRO 71 HB2 0.03 -0.07 0.02 -0.04 2.28 2.21 2aenG1 PRO 71 HB3 0.05 0.12 0.05 -0.04 2.02 2.20 2aenG1 PRO 71 HG2 0.04 0.04 -0.01 -0.04 2.03 2.07 2aenG1 PRO 71 HG3 0.08 -0.05 -0.37 -0.04 2.03 1.65 2aenG1 PRO 71 HD2 0.02 0.06 0.13 -0.04 3.68 3.85 2aenG1 PRO 71 HD3 0.03 0.05 0.08 -0.04 3.65 3.77 2aenG1 THR 72 H 0.08 0.45 0.38 -0.55 8.28 8.64 2aenG1 THR 72 HA 0.04 0.05 0.70 -0.75 4.39 4.43 2aenG1 THR 72 HB 0.09 0.20 -0.41 -0.04 4.32 4.16 2aenG1 THR 72 HG23 0.15 -0.03 -0.25 -0.04 1.22 1.05 2aenG1 THR 73 H 0.05 0.20 0.21 -0.55 8.28 8.19 2aenG1 THR 73 HA 0.07 0.34 1.07 -0.75 4.39 5.12 2aenG1 THR 73 HB 0.05 -0.02 0.13 -0.04 4.32 4.44 2aenG1 THR 73 HG23 0.06 -0.00 -0.18 -0.04 1.22 1.05 2aenG1 PHE 74 H 0.12 0.54 0.28 -0.55 8.34 8.72 2aenG1 PHE 74 HA -0.02 0.10 0.72 -0.75 4.62 4.66 2aenG1 PHE 74 HB2 -0.02 0.01 -0.34 -0.04 3.15 2.75 2aenG1 PHE 74 HB3 -0.12 0.01 -0.00 -0.04 3.06 2.90 2aenG1 PHE 74 HD2 -0.10 -0.02 -0.06 -0.04 7.28 7.06 2aenG1 PHE 74 HE2 -0.05 -0.00 -0.07 -0.04 7.38 7.22 2aenG1 PHE 74 HZ -0.13 -0.02 -0.04 -0.04 7.32 7.09 2aenG1 LYS 75 H 0.00 0.18 0.10 -0.55 8.42 8.14 2aenG1 LYS 75 HA -0.20 0.21 0.93 -0.75 4.32 4.50 2aenG1 LYS 75 HB2 -0.07 -0.05 0.07 -0.04 1.87 1.78 2aenG1 LYS 75 HB3 -0.10 -0.08 0.20 -0.04 1.79 1.77 2aenG1 LYS 75 HG2 -0.15 -0.02 -0.11 -0.04 1.46 1.14 2aenG1 LYS 75 HG3 -0.14 0.27 -0.04 -0.04 1.46 1.51 2aenG1 LYS 75 HD2 -0.07 -0.01 -0.04 -0.04 1.69 1.53 2aenG1 LYS 75 HD3 -0.05 -0.10 -0.01 -0.04 1.68 1.48 2aenG1 LYS 75 HE2 -0.08 0.15 -0.01 -0.04 2.99 3.01 2aenG1 LYS 75 HE3 -0.06 -0.12 -0.13 -0.04 2.99 2.65 2aenG1 PRO 76 HA -1.37 0.07 0.29 -0.51 4.44 2.92 2aenG1 PRO 76 HB2 -0.25 0.02 -0.08 -0.04 2.28 1.93 2aenG1 PRO 76 HB3 -0.35 0.01 0.01 -0.04 2.02 1.65 2aenG1 PRO 76 HG2 -0.23 -0.03 -0.06 -0.04 2.03 1.67 2aenG1 PRO 76 HG3 -0.39 -0.00 -0.08 -0.04 2.03 1.52 2aenG1 PRO 76 HD2 -0.26 0.24 0.13 -0.04 3.68 3.75 2aenG1 PRO 76 HD3 -0.29 0.21 0.19 -0.04 3.65 3.72 2aenG1 PRO 77 HA -0.07 0.04 0.55 -0.51 4.44 4.46 2aenG1 PRO 77 HB2 0.13 0.12 0.01 -0.04 2.28 2.50 2aenG1 PRO 77 HB3 -0.02 0.01 0.12 -0.04 2.02 2.08 2aenG1 PRO 77 HG2 0.01 -0.01 -0.00 -0.04 2.03 1.99 2aenG1 PRO 77 HG3 -0.16 0.02 0.04 -0.04 2.03 1.89 2aenG1 PRO 77 HD2 -0.18 0.06 0.16 -0.04 3.68 3.68 2aenG1 PRO 77 HD3 -0.21 0.15 0.17 -0.04 3.65 3.72 2aenG1 ASN 78 H -0.00 0.06 0.17 -0.55 8.53 8.21 2aenG1 ASN 78 HA -0.02 0.14 0.63 -0.75 4.76 4.76 2aenG1 ASN 78 HB2 0.01 -0.02 0.10 -0.04 2.88 2.93 2aenG1 ASN 78 HB3 0.01 -0.05 0.08 -0.04 2.79 2.79 2aenG1 ASN 78 HD21 -0.04 -0.04 -0.04 -0.04 7.03 6.87 2aenG1 ASN 78 HD22 -0.02 -0.01 0.00 -0.04 7.74 7.67 2aenG1 ASP 79 H -0.04 0.79 0.39 -0.55 8.40 8.99 2aenG1 ASP 79 HA -0.20 -0.02 0.34 -0.75 4.63 4.00 2aenG1 ASP 79 HB2 -0.15 0.24 -0.05 -0.04 2.71 2.71 2aenG1 ASP 79 HB3 -0.23 -0.12 0.21 -0.04 2.70 2.52 2aenG1 TYR 80 H 0.06 0.34 -0.28 -0.55 8.29 7.86 2aenG1 TYR 80 HA 0.02 0.05 0.78 -0.75 4.56 4.65 2aenG1 TYR 80 HB2 0.02 0.10 -0.04 -0.04 3.06 3.11 2aenG1 TYR 80 HB3 0.10 0.04 -0.15 -0.04 2.98 2.93 2aenG1 TYR 80 HD2 0.05 0.07 -0.33 -0.04 7.15 6.90 2aenG1 TYR 80 HE2 0.04 -0.00 -0.05 -0.04 6.85 6.80 2aenG1 TRP 81 H 0.33 0.57 0.15 -0.55 7.97 8.48 2aenG1 TRP 81 HA 0.12 0.15 0.70 -0.75 4.62 4.84 2aenG1 TRP 81 HB2 0.12 0.05 0.05 -0.04 3.23 3.41 2aenG1 TRP 81 HB3 0.16 0.02 -0.23 -0.04 3.23 3.13 2aenG1 TRP 81 HD1 -0.00 0.05 -0.23 -0.04 7.22 7.00 2aenG1 TRP 81 HE1 -0.11 -0.01 -0.10 -0.04 10.20 9.94 2aenG1 TRP 81 HE3 0.22 0.03 -0.24 -0.04 7.59 7.56 2aenG1 TRP 81 HZ2 -0.18 -0.01 -0.18 -0.04 7.44 7.03 2aenG1 TRP 81 HZ3 0.30 0.06 -0.59 -0.04 7.13 6.86 2aenG1 TRP 81 HH2 -0.06 -0.01 -0.42 -0.04 7.19 6.66 2aenG1 LEU 82 H 0.30 0.70 0.36 -0.55 8.37 9.18 2aenG1 LEU 82 HA 0.35 0.34 0.98 -0.75 4.35 5.26 2aenG1 LEU 82 HB2 0.08 -0.10 0.16 -0.04 1.64 1.74 2aenG1 LEU 82 HB3 0.07 0.02 -0.02 -0.04 1.64 1.67 2aenG1 LEU 82 HG 0.06 0.10 0.02 -0.04 1.64 1.78 2aenG1 LEU 82 HD13 -0.17 -0.01 -0.07 -0.04 0.93 0.63 2aenG1 LEU 82 HD23 0.30 0.01 -0.15 -0.04 0.89 1.00 2aenG1 LEU 83 H 0.35 0.70 0.17 -0.55 8.37 9.05 2aenG1 LEU 83 HA 0.17 0.25 0.92 -0.75 4.35 4.93 2aenG1 LEU 83 HB2 0.15 -0.05 -0.12 -0.04 1.64 1.58 2aenG1 LEU 83 HB3 0.26 -0.07 0.11 -0.04 1.64 1.90 2aenG1 LEU 83 HG 0.06 0.04 -0.28 -0.04 1.64 1.42 2aenG1 LEU 83 HD13 -0.10 0.03 -0.21 -0.04 0.93 0.61 2aenG1 LEU 83 HD23 -0.11 -0.01 -0.16 -0.04 0.89 0.56 2aenG1 ILE 84 H 0.12 0.68 0.25 -0.55 8.25 8.75 2aenG1 ILE 84 HA 0.22 0.17 0.69 -0.75 4.18 4.51 2aenG1 ILE 84 HB 0.13 -0.09 0.02 -0.04 1.89 1.91 2aenG1 ILE 84 HG12 -0.01 0.07 -0.22 -0.04 1.49 1.30 2aenG1 ILE 84 HG13 0.10 -0.06 -0.40 -0.04 1.21 0.82 2aenG1 ILE 84 HG23 0.13 0.04 -0.25 -0.04 0.93 0.80 2aenG1 ILE 84 HD13 -0.06 -0.01 -0.17 -0.04 0.88 0.60 2aenG1 SER 85 H 0.11 0.79 0.27 -0.55 8.46 9.08 2aenG1 SER 85 HA -0.02 0.19 0.72 -0.75 4.49 4.62 2aenG1 SER 85 HB2 0.18 -0.06 -0.04 -0.04 3.95 3.99 2aenG1 SER 85 HB3 0.06 0.02 0.13 -0.04 3.93 4.09 2aenG1 SER 86 H -0.12 0.59 0.31 -0.55 8.46 8.70 2aenG1 SER 86 HA 0.00 -0.00 0.49 -0.75 4.49 4.22 2aenG1 SER 86 HB2 0.02 -0.06 -0.03 -0.04 3.95 3.84 2aenG1 SER 86 HB3 -0.04 0.04 0.09 -0.04 3.93 3.98 2aenG1 ASN 87 H -0.03 0.13 0.20 -0.55 8.53 8.29 2aenG1 ASN 87 HA -0.16 0.23 0.90 -0.75 4.76 4.99 2aenG1 ASN 87 HB2 -0.02 -0.02 0.18 -0.04 2.88 2.97 2aenG1 ASN 87 HB3 -0.03 0.05 -0.04 -0.04 2.79 2.73 2aenG1 ASN 87 HD21 0.02 -0.01 0.03 -0.04 7.03 7.03 2aenG1 ASN 87 HD22 0.00 -0.01 0.04 -0.04 7.74 7.73 2aenG1 THR 88 H -0.07 0.22 0.05 -0.55 8.28 7.93 2aenG1 THR 88 HA 0.12 0.09 0.42 -0.75 4.39 4.26 2aenG1 THR 88 HB 0.07 0.11 -0.13 -0.04 4.32 4.33 2aenG1 THR 88 HG23 0.09 0.06 -0.13 -0.04 1.22 1.20 2aenG1 ASN 89 H 0.27 0.08 0.11 -0.55 8.53 8.45 2aenG1 ASN 89 HA 0.43 0.12 0.52 -0.75 4.76 5.09 2aenG1 ASN 89 HB2 0.23 0.14 0.23 -0.04 2.88 3.43 2aenG1 ASN 89 HB3 0.36 -0.07 0.03 -0.04 2.79 3.08 2aenG1 ASN 89 HD21 0.07 0.01 0.02 -0.04 7.03 7.09 2aenG1 ASN 89 HD22 0.05 -0.03 0.05 -0.04 7.74 7.77 2aenG1 GLY 90 H 0.23 0.50 0.32 -0.55 8.43 8.94 2aenG1 GLY 90 HA2 0.40 0.01 0.34 -0.51 4.01 4.25 2aenG1 GLY 90 HA3 0.18 0.16 0.67 -0.51 4.01 4.51 2aenG1 VAL 91 H 0.09 0.14 0.19 -0.55 8.24 8.11 2aenG1 VAL 91 HA -0.17 0.13 0.59 -0.75 4.13 3.93 2aenG1 VAL 91 HB -0.26 0.01 0.15 -0.04 2.12 1.98 2aenG1 VAL 91 HG13 -0.45 0.00 -0.13 -0.04 0.97 0.35 2aenG1 VAL 91 HG23 0.03 0.03 0.02 -0.04 0.95 0.99 2aenG1 VAL 92 H -0.16 0.70 0.43 -0.55 8.24 8.65 2aenG1 VAL 92 HA 0.01 0.12 0.63 -0.75 4.13 4.14 2aenG1 VAL 92 HB -0.06 -0.05 0.07 -0.04 2.12 2.04 2aenG1 VAL 92 HG13 0.12 -0.01 -0.16 -0.04 0.97 0.88 2aenG1 VAL 92 HG23 0.19 0.02 -0.15 -0.04 0.95 0.98 2aenG1 TYR 93 H -0.24 0.23 0.33 -0.55 8.29 8.07 2aenG1 TYR 93 HA 0.08 0.30 0.71 -0.75 4.56 4.90 2aenG1 TYR 93 HB2 0.05 0.09 0.06 -0.04 3.06 3.22 2aenG1 TYR 93 HB3 0.03 0.05 -0.14 -0.04 2.98 2.88 2aenG1 TYR 93 HD2 0.07 0.02 -0.33 -0.04 7.15 6.88 2aenG1 TYR 93 HE2 0.15 0.02 -0.18 -0.04 6.85 6.81 2aenG1 GLU 94 H 0.24 0.60 0.34 -0.55 8.60 9.24 2aenG1 GLU 94 HA -0.01 0.16 1.05 -0.75 4.29 4.73 2aenG1 GLU 94 HB2 -0.10 -0.02 0.27 -0.04 2.09 2.20 2aenG1 GLU 94 HB3 -1.13 -0.02 0.08 -0.04 1.99 0.88 2aenG1 GLU 94 HG2 -0.43 0.01 0.04 -0.04 2.34 1.91 2aenG1 GLU 94 HG3 -0.11 -0.02 -0.33 -0.04 2.34 1.84 2aenG1 SER 95 H 0.56 0.78 0.36 -0.55 8.46 9.61 2aenG1 SER 95 HA 0.27 0.34 1.17 -0.75 4.49 5.51 2aenG1 SER 95 HB2 0.24 -0.04 -0.11 -0.04 3.95 3.99 2aenG1 SER 95 HB3 0.54 0.01 0.13 -0.04 3.93 4.57 2aenG1 THR 96 H 0.14 0.75 0.46 -0.55 8.28 9.07 2aenG1 THR 96 HA -0.05 0.21 0.74 -0.75 4.39 4.53 2aenG1 THR 96 HB -0.63 0.04 -0.06 -0.04 4.32 3.62 2aenG1 THR 96 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.10 2aenG1 ASN 97 H -0.36 0.27 0.29 -0.55 8.53 8.18 2aenG1 ASN 97 HA -0.16 0.47 0.79 -0.75 4.76 5.10 2aenG1 ASN 97 HB2 -0.14 0.01 0.04 -0.04 2.88 2.75 2aenG1 ASN 97 HB3 -0.15 0.09 -0.14 -0.04 2.79 2.55 2aenG1 ASN 97 HD21 -0.03 -0.15 -0.02 -0.04 7.03 6.79 2aenG1 ASN 97 HD22 -0.12 0.51 0.03 -0.04 7.74 8.11 2aenG1 ASN 98 H -0.85 0.11 -0.00 -0.55 8.53 7.25 2aenG1 ASN 98 HA -0.55 0.03 0.23 -0.75 4.76 3.71 2aenG1 ASN 98 HB2 -0.09 0.21 -0.01 -0.04 2.88 2.95 2aenG1 ASN 98 HB3 0.02 -0.00 0.19 -0.04 2.79 2.96 2aenG1 ASN 98 HD21 0.00 0.02 -0.13 -0.04 7.03 6.88 2aenG1 ASN 98 HD22 -0.07 0.09 -0.33 -0.04 7.74 7.39 2aenG1 ASN 99 H -0.60 -0.18 -0.32 -0.55 8.53 6.88 2aenG1 ASN 99 HA 0.05 0.22 0.82 -0.75 4.76 5.09 2aenG1 ASN 99 HB2 -0.06 0.17 -0.17 -0.04 2.88 2.78 2aenG1 ASN 99 HB3 -0.11 -0.14 -0.01 -0.04 2.79 2.50 2aenG1 ASN 99 HD21 -0.01 0.01 -0.08 -0.04 7.03 6.91 2aenG1 ASN 99 HD22 -0.04 0.00 -0.07 -0.04 7.74 7.60 2aenG1 ASP 100 H -0.09 0.02 0.11 -0.55 8.40 7.89 2aenG1 ASP 100 HA 0.24 0.51 0.91 -0.75 4.63 5.53 2aenG1 ASP 100 HB2 0.13 0.09 0.21 -0.04 2.71 3.10 2aenG1 ASP 100 HB3 0.08 0.02 -0.12 -0.04 2.70 2.63 2aenG1 PHE 101 H -0.29 -0.06 0.03 -0.55 8.34 7.46 2aenG1 PHE 101 HA 0.16 0.28 0.91 -0.75 4.62 5.22 2aenG1 PHE 101 HB2 0.03 0.04 -0.21 -0.04 3.15 2.98 2aenG1 PHE 101 HB3 -0.13 -0.16 0.08 -0.04 3.06 2.80 2aenG1 PHE 101 HD2 0.08 0.01 -0.20 -0.04 7.28 7.14 2aenG1 PHE 101 HE2 0.11 0.00 -0.15 -0.04 7.38 7.31 2aenG1 PHE 101 HZ 0.16 0.01 -0.15 -0.04 7.32 7.30 2aenG1 TRP 102 H -0.41 0.54 0.25 -0.55 7.97 7.81 2aenG1 TRP 102 HA -0.18 0.26 0.92 -0.75 4.62 4.86 2aenG1 TRP 102 HB2 -0.58 0.02 0.15 -0.04 3.23 2.78 2aenG1 TRP 102 HB3 -0.41 0.01 -0.05 -0.04 3.23 2.75 2aenG1 TRP 102 HD1 -2.29 0.01 -0.09 -0.04 7.22 4.80 2aenG1 TRP 102 HE1 -0.34 0.05 -0.06 -0.04 10.20 9.80 2aenG1 TRP 102 HE3 -0.37 0.18 -0.59 -0.04 7.59 6.77 2aenG1 TRP 102 HZ2 -0.12 0.09 -0.15 -0.04 7.44 7.22 2aenG1 TRP 102 HZ3 -0.14 0.23 -0.83 -0.04 7.13 6.34 2aenG1 TRP 102 HH2 -0.10 0.14 -0.44 -0.04 7.19 6.76 2aenG1 THR 103 H 0.28 0.69 0.31 -0.55 8.28 9.01 2aenG1 THR 103 HA 0.25 0.39 0.93 -0.75 4.39 5.21 2aenG1 THR 103 HB 0.38 -0.04 0.06 -0.04 4.32 4.68 2aenG1 THR 103 HG23 0.20 -0.02 -0.24 -0.04 1.22 1.13 2aenG1 ALA 104 H 0.19 0.66 0.35 -0.55 8.40 9.06 2aenG1 ALA 104 HA -0.06 0.28 1.09 -0.75 4.34 4.90 2aenG1 ALA 104 HB3 -0.15 -0.01 0.10 -0.04 1.41 1.31 2aenG1 VAL 105 H -0.52 0.41 0.33 -0.55 8.24 7.91 2aenG1 VAL 105 HA -0.16 0.39 1.07 -0.75 4.13 4.68 2aenG1 VAL 105 HB -0.68 -0.09 0.12 -0.04 2.12 1.44 2aenG1 VAL 105 HG13 0.04 -0.01 -0.25 -0.04 0.97 0.71 2aenG1 VAL 105 HG23 -0.32 0.00 -0.20 -0.04 0.95 0.39 2aenG1 ILE 106 H -0.09 0.62 0.35 -0.55 8.25 8.57 2aenG1 ILE 106 HA -0.15 0.24 0.98 -0.75 4.18 4.49 2aenG1 ILE 106 HB -0.28 0.00 0.11 -0.04 1.89 1.68 2aenG1 ILE 106 HG12 -0.80 0.00 -0.18 -0.04 1.49 0.47 2aenG1 ILE 106 HG13 -0.44 0.00 -0.37 -0.04 1.21 0.36 2aenG1 ILE 106 HG23 -0.42 -0.01 -0.25 -0.04 0.93 0.20 2aenG1 ILE 106 HD13 -0.95 0.00 -0.15 -0.04 0.88 -0.25 2aenG1 ALA 107 H 0.07 0.77 0.33 -0.55 8.40 9.02 2aenG1 ALA 107 HA -0.11 0.23 0.86 -0.75 4.34 4.56 2aenG1 ALA 107 HB3 0.26 -0.02 -0.00 -0.04 1.41 1.60 2aenG1 VAL 108 H -0.05 0.82 0.38 -0.55 8.24 8.84 2aenG1 VAL 108 HA 0.02 0.07 0.95 -0.75 4.13 4.41 2aenG1 VAL 108 HB 0.18 -0.01 0.12 -0.04 2.12 2.37 2aenG1 VAL 108 HG13 -0.04 0.05 -0.16 -0.04 0.97 0.78 2aenG1 VAL 108 HG23 0.10 -0.00 -0.23 -0.04 0.95 0.78 2aenG1 GLU 109 H -0.37 0.07 0.07 -0.55 8.60 7.83 2aenG1 GLU 109 HA -2.62 0.05 0.35 -0.75 4.29 1.31 2aenG1 GLU 109 HB2 -0.95 0.08 0.08 -0.04 2.09 1.25 2aenG1 GLU 109 HB3 -0.86 -0.09 0.05 -0.04 1.99 1.04 2aenG1 GLU 109 HG2 -0.31 0.17 -0.28 -0.04 2.34 1.88 2aenG1 GLU 109 HG3 -0.22 0.02 -0.05 -0.04 2.34 2.05 2aenG1 PRO 110 HA -0.39 0.10 0.48 -0.51 4.44 4.12 2aenG1 PRO 110 HB2 -0.18 -0.03 -0.07 -0.04 2.28 1.96 2aenG1 PRO 110 HB3 -0.38 0.00 -0.09 -0.04 2.02 1.51 2aenG1 PRO 110 HG2 -0.20 0.06 -0.07 -0.04 2.03 1.77 2aenG1 PRO 110 HG3 -0.39 -0.06 -0.59 -0.04 2.03 0.95 2aenG1 PRO 110 HD2 -0.67 0.08 0.09 -0.04 3.68 3.14 2aenG1 PRO 110 HD3 -2.20 0.03 0.06 -0.04 3.65 1.51 2aenG1 HIS 111 H -0.36 0.28 0.15 -0.55 8.41 7.93 2aenG1 HIS 111 HA -0.06 0.04 0.33 -0.75 4.63 4.18 2aenG1 HIS 111 HB2 -0.08 0.10 -0.29 -0.04 3.26 2.95 2aenG1 HIS 111 HB3 -0.05 -0.08 0.09 -0.04 3.20 3.12 2aenG1 HIS 111 HD2 -0.03 0.01 -0.09 -0.04 6.97 6.81 2aenG1 HIS 111 HE1 -0.02 0.00 -0.04 -0.04 7.75 7.64 2aenG1 VAL 112 H -0.06 0.36 0.08 -0.55 8.24 8.06 2aenG1 VAL 112 HA -0.03 0.13 0.79 -0.75 4.13 4.27 2aenG1 VAL 112 HB -0.06 -0.12 0.02 -0.04 2.12 1.92 2aenG1 VAL 112 HG13 -0.03 0.01 -0.20 -0.04 0.97 0.72 2aenG1 VAL 112 HG23 -0.11 0.04 -0.20 -0.04 0.95 0.64 2aenG1 SER 113 H -0.01 0.18 0.07 -0.55 8.46 8.16 2aenG1 SER 113 HA 0.00 0.01 0.59 -0.75 4.49 4.33 2aenG1 SER 113 HB2 -0.01 0.02 0.01 -0.04 3.95 3.93 2aenG1 SER 113 HB3 -0.00 0.00 0.03 -0.04 3.93 3.92 2aenG1 GLN 114 H -0.00 0.03 0.13 -0.55 8.47 8.09 2aenG1 GLN 114 HA -0.01 0.31 0.36 -0.75 4.36 4.26 2aenG1 GLN 114 HB2 -0.00 -0.03 0.09 -0.04 2.15 2.16 2aenG1 GLN 114 HB3 -0.00 -0.04 0.15 -0.04 2.02 2.09 2aenG1 GLN 114 HG2 -0.00 -0.03 -0.06 -0.04 2.40 2.27 2aenG1 GLN 114 HG3 -0.00 -0.01 -0.25 -0.04 2.39 2.09 2aenG1 GLN 114 HE21 -0.01 0.02 -0.24 -0.04 6.97 6.70 2aenG1 GLN 114 HE22 -0.00 -0.03 -0.09 -0.04 7.69 7.52 2aenG1 THR 115 H -0.01 0.54 0.41 -0.55 8.28 8.67 2aenG1 THR 115 HA -0.01 0.03 0.48 -0.75 4.39 4.14 2aenG1 THR 115 HB -0.01 0.15 -0.25 -0.04 4.32 4.17 2aenG1 THR 115 HG23 -0.01 0.02 -0.23 -0.04 1.22 0.95 2aenG1 ASN 116 H -0.01 0.14 0.17 -0.55 8.53 8.28 2aenG1 ASN 116 HA 0.01 0.27 0.81 -0.75 4.76 5.10 2aenG1 ASN 116 HB2 -0.01 -0.03 0.07 -0.04 2.88 2.87 2aenG1 ASN 116 HB3 -0.02 -0.01 0.15 -0.04 2.79 2.87 2aenG1 ASN 116 HD21 -0.05 -0.02 -0.10 -0.04 7.03 6.83 2aenG1 ASN 116 HD22 -0.03 -0.01 -0.07 -0.04 7.74 7.60 2aenG1 ARG 117 H 0.05 0.63 0.40 -0.55 8.46 9.00 2aenG1 ARG 117 HA -0.11 0.14 0.83 -0.75 4.34 4.45 2aenG1 ARG 117 HB2 0.11 -0.01 0.05 -0.04 1.90 2.01 2aenG1 ARG 117 HB3 -0.35 0.03 -0.01 -0.04 1.80 1.43 2aenG1 ARG 117 HG2 -0.07 0.05 0.02 -0.04 1.67 1.62 2aenG1 ARG 117 HG3 -0.00 0.02 -0.31 -0.04 1.67 1.33 2aenG1 ARG 117 HD2 0.08 -0.03 -0.07 -0.04 3.22 3.16 2aenG1 ARG 117 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.15 2aenG1 GLN 118 H -0.28 0.19 0.17 -0.55 8.47 8.00 2aenG1 GLN 118 HA -0.09 0.29 1.00 -0.75 4.36 4.81 2aenG1 GLN 118 HB2 -0.10 -0.03 -0.07 -0.04 2.15 1.92 2aenG1 GLN 118 HB3 -0.13 -0.01 0.04 -0.04 2.02 1.88 2aenG1 GLN 118 HG2 -0.05 -0.03 -0.21 -0.04 2.40 2.07 2aenG1 GLN 118 HG3 -0.04 0.08 -0.12 -0.04 2.39 2.27 2aenG1 GLN 118 HE21 -0.02 0.01 -0.08 -0.04 6.97 6.84 2aenG1 GLN 118 HE22 -0.02 -0.02 -0.11 -0.04 7.69 7.51 2aenG1 TYR 119 H 0.11 0.74 0.41 -0.55 8.29 8.99 2aenG1 TYR 119 HA 0.03 0.11 0.82 -0.75 4.56 4.77 2aenG1 TYR 119 HB2 0.11 0.01 -0.08 -0.04 3.06 3.06 2aenG1 TYR 119 HB3 0.01 0.00 -0.05 -0.04 2.98 2.90 2aenG1 TYR 119 HD2 0.18 0.01 -0.11 -0.04 7.15 7.19 2aenG1 TYR 119 HE2 0.10 -0.00 -0.10 -0.04 6.85 6.80 2aenG1 ILE 120 H 0.13 0.17 0.11 -0.55 8.25 8.11 2aenG1 ILE 120 HA 0.08 0.33 0.87 -0.75 4.18 4.70 2aenG1 ILE 120 HB 0.09 -0.00 0.12 -0.04 1.89 2.05 2aenG1 ILE 120 HG12 0.05 0.03 -0.18 -0.04 1.49 1.35 2aenG1 ILE 120 HG13 0.05 -0.07 -0.14 -0.04 1.21 1.01 2aenG1 ILE 120 HG23 0.07 -0.03 -0.30 -0.04 0.93 0.63 2aenG1 ILE 120 HD13 0.05 0.01 -0.06 -0.04 0.88 0.84 2aenG1 LEU 121 H 0.10 0.79 0.16 -0.55 8.37 8.87 2aenG1 LEU 121 HA -0.13 0.12 0.85 -0.75 4.35 4.43 2aenG1 LEU 121 HB2 0.11 0.06 0.06 -0.04 1.64 1.83 2aenG1 LEU 121 HB3 0.02 -0.01 -0.04 -0.04 1.64 1.58 2aenG1 LEU 121 HG 0.05 0.04 -0.30 -0.04 1.64 1.39 2aenG1 LEU 121 HD13 -0.42 0.00 -0.12 -0.04 0.93 0.35 2aenG1 LEU 121 HD23 -0.15 0.05 -0.25 -0.04 0.89 0.50 2aenG1 PHE 122 H -0.33 0.18 0.05 -0.55 8.34 7.69 2aenG1 PHE 122 HA 0.18 0.04 0.27 -0.75 4.62 4.36 2aenG1 PHE 122 HB2 0.26 0.17 -0.07 -0.04 3.15 3.47 2aenG1 PHE 122 HB3 0.30 0.02 0.11 -0.04 3.06 3.45 2aenG1 PHE 122 HD2 0.34 0.05 -0.23 -0.04 7.28 7.40 2aenG1 PHE 122 HE2 0.29 0.01 -0.36 -0.04 7.38 7.29 2aenG1 PHE 122 HZ 0.29 0.07 -0.19 -0.04 7.32 7.45 2aenG1 GLY 123 H 0.11 0.03 -0.37 -0.55 8.43 7.66 2aenG1 GLY 123 HA2 0.09 -0.02 0.17 -0.51 4.01 3.75 2aenG1 GLY 123 HA3 0.12 0.10 0.34 -0.51 4.01 4.06 2aenG1 GLU 124 H 0.16 0.40 -0.47 -0.55 8.60 8.14 2aenG1 GLU 124 HA 0.07 0.14 0.88 -0.75 4.29 4.63 2aenG1 GLU 124 HB2 0.17 0.08 0.03 -0.04 2.09 2.33 2aenG1 GLU 124 HB3 0.08 0.03 -0.07 -0.04 1.99 1.99 2aenG1 GLU 124 HG2 0.06 -0.03 -0.05 -0.04 2.34 2.29 2aenG1 GLU 124 HG3 0.12 0.08 -0.21 -0.04 2.34 2.30 2aenG1 ASN 125 H 0.04 0.15 0.13 -0.55 8.53 8.30 2aenG1 ASN 125 HA 0.04 0.13 0.65 -0.75 4.76 4.82 2aenG1 ASN 125 HB2 0.00 -0.00 0.14 -0.04 2.88 2.98 2aenG1 ASN 125 HB3 -0.00 0.00 -0.02 -0.04 2.79 2.73 2aenG1 ASN 125 HD21 0.01 0.00 -0.01 -0.04 7.03 6.99 2aenG1 ASN 125 HD22 0.01 0.00 0.02 -0.04 7.74 7.73 2aenG1 LYS 126 H 0.05 0.71 0.44 -0.55 8.42 9.06 2aenG1 LYS 126 HA -0.10 0.13 0.89 -0.75 4.32 4.47 2aenG1 LYS 126 HB2 0.09 -0.02 0.06 -0.04 1.87 1.95 2aenG1 LYS 126 HB3 -0.30 0.03 -0.03 -0.04 1.79 1.45 2aenG1 LYS 126 HG2 0.09 0.03 -0.54 -0.04 1.46 1.00 2aenG1 LYS 126 HG3 0.14 -0.04 -0.09 -0.04 1.46 1.43 2aenG1 LYS 126 HD2 0.08 -0.04 0.01 -0.04 1.69 1.69 2aenG1 LYS 126 HD3 -0.01 0.10 0.05 -0.04 1.68 1.78 2aenG1 LYS 126 HE2 0.10 -0.03 -0.15 -0.04 2.99 2.88 2aenG1 LYS 126 HE3 0.28 -0.00 -0.07 -0.04 2.99 3.15 2aenG1 GLN 127 H -0.29 0.19 0.18 -0.55 8.47 8.00 2aenG1 GLN 127 HA -0.09 0.31 1.13 -0.75 4.36 4.95 2aenG1 GLN 127 HB2 -0.15 -0.02 0.02 -0.04 2.15 1.97 2aenG1 GLN 127 HB3 -0.09 0.02 -0.05 -0.04 2.02 1.85 2aenG1 GLN 127 HG2 -0.08 0.00 -0.21 -0.04 2.40 2.08 2aenG1 GLN 127 HG3 -0.09 -0.05 -0.24 -0.04 2.39 1.97 2aenG1 GLN 127 HE21 -0.04 0.01 -0.08 -0.04 6.97 6.82 2aenG1 GLN 127 HE22 -0.05 -0.01 -0.12 -0.04 7.69 7.46 2aenG1 PHE 128 H 0.13 0.67 0.36 -0.55 8.34 8.94 2aenG1 PHE 128 HA 0.01 0.12 0.74 -0.75 4.62 4.73 2aenG1 PHE 128 HB2 0.06 -0.01 -0.08 -0.04 3.15 3.08 2aenG1 PHE 128 HB3 -0.05 0.05 -0.03 -0.04 3.06 2.99 2aenG1 PHE 128 HD2 0.12 0.03 -0.12 -0.04 7.28 7.26 2aenG1 PHE 128 HE2 -0.02 0.00 -0.17 -0.04 7.38 7.16 2aenG1 PHE 128 HZ -0.27 -0.03 -0.14 -0.04 7.32 6.84 2aenG1 ASN 129 H 0.11 0.16 0.12 -0.55 8.53 8.38 2aenG1 ASN 129 HA 0.03 0.16 0.69 -0.75 4.76 4.89 2aenG1 ASN 129 HB2 0.02 -0.01 0.16 -0.04 2.88 3.02 2aenG1 ASN 129 HB3 0.01 0.02 -0.03 -0.04 2.79 2.75 2aenG1 ASN 129 HD21 0.00 0.01 -0.03 -0.04 7.03 6.98 2aenG1 ASN 129 HD22 0.02 0.01 0.03 -0.04 7.74 7.75 2aenG1 VAL 130 H 0.01 0.77 0.36 -0.55 8.24 8.83 2aenG1 VAL 130 HA -0.14 0.13 0.80 -0.75 4.13 4.17 2aenG1 VAL 130 HB 0.02 0.07 0.04 -0.04 2.12 2.20 2aenG1 VAL 130 HG13 -0.06 -0.01 -0.23 -0.04 0.97 0.64 2aenG1 VAL 130 HG23 0.06 0.00 -0.27 -0.04 0.95 0.70 2aenG1 GLU 131 H -0.11 0.30 0.16 -0.55 8.60 8.39 2aenG1 GLU 131 HA -0.02 0.26 0.44 -0.75 4.29 4.23 2aenG1 GLU 131 HB2 -0.01 -0.01 -0.22 -0.04 2.09 1.80 2aenG1 GLU 131 HB3 -0.01 -0.03 -0.02 -0.04 1.99 1.90 2aenG1 GLU 131 HG2 0.01 -0.08 -0.17 -0.04 2.34 2.06 2aenG1 GLU 131 HG3 -0.00 0.05 0.07 -0.04 2.34 2.41 2aenG1 ASN 132 H -0.02 0.76 0.11 -0.55 8.53 8.84 2aenG1 ASN 132 HA 0.04 0.07 0.62 -0.75 4.76 4.73 2aenG1 ASN 132 HB2 0.03 0.04 -0.04 -0.04 2.88 2.87 2aenG1 ASN 132 HB3 -0.10 0.07 0.14 -0.04 2.79 2.86 2aenG1 ASN 132 HD21 -0.21 0.40 -0.02 -0.04 7.03 7.16 2aenG1 ASN 132 HD22 -0.23 0.25 -0.22 -0.04 7.74 7.50 2aenG1 ASN 133 H -0.00 0.17 0.05 -0.55 8.53 8.20 2aenG1 ASN 133 HA 0.01 0.14 0.51 -0.75 4.76 4.67 2aenG1 ASN 133 HB2 0.01 -0.01 0.03 -0.04 2.88 2.87 2aenG1 ASN 133 HB3 0.02 0.03 0.12 -0.04 2.79 2.92 2aenG1 ASN 133 HD21 0.02 0.01 -0.01 -0.04 7.03 7.00 2aenG1 ASN 133 HD22 0.02 0.01 -0.01 -0.04 7.74 7.72 2aenG1 SER 134 H -0.13 0.03 -0.36 -0.55 8.46 7.45 2aenG1 SER 134 HA -0.11 0.19 0.56 -0.75 4.49 4.39 2aenG1 SER 134 HB2 -0.06 -0.00 0.10 -0.04 3.95 3.95 2aenG1 SER 134 HB3 -0.06 -0.02 0.02 -0.04 3.93 3.83 2aenG1 ASP 135 H -0.11 0.13 0.15 -0.55 8.40 8.02 2aenG1 ASP 135 HA -0.42 0.19 0.76 -0.75 4.63 4.40 2aenG1 ASP 135 HB2 0.05 0.04 0.16 -0.04 2.71 2.91 2aenG1 ASP 135 HB3 0.08 0.01 0.09 -0.04 2.70 2.84 2aenG1 LYS 136 H -0.11 -0.06 -0.21 -0.55 8.42 7.48 2aenG1 LYS 136 HA 0.06 0.22 0.83 -0.75 4.32 4.68 2aenG1 LYS 136 HB2 0.01 -0.07 -0.08 -0.04 1.87 1.69 2aenG1 LYS 136 HB3 0.09 0.05 -0.20 -0.04 1.79 1.70 2aenG1 LYS 136 HG2 0.06 0.07 -0.14 -0.04 1.46 1.41 2aenG1 LYS 136 HG3 0.01 -0.11 -0.18 -0.04 1.46 1.14 2aenG1 LYS 136 HD2 0.03 -0.02 -0.13 -0.04 1.69 1.52 2aenG1 LYS 136 HD3 0.05 -0.10 -0.16 -0.04 1.68 1.43 2aenG1 LYS 136 HE2 0.03 0.01 -0.05 -0.04 2.99 2.94 2aenG1 LYS 136 HE3 0.02 -0.06 -0.05 -0.04 2.99 2.86 2aenG1 TRP 137 H 0.38 0.31 0.22 -0.55 7.97 8.33 2aenG1 TRP 137 HA -0.15 0.18 0.60 -0.75 4.62 4.50 2aenG1 TRP 137 HB2 0.08 0.10 0.16 -0.04 3.23 3.54 2aenG1 TRP 137 HB3 -0.47 -0.02 -0.06 -0.04 3.23 2.63 2aenG1 TRP 137 HD1 0.03 0.01 0.04 -0.04 7.22 7.26 2aenG1 TRP 137 HE1 0.03 0.02 -0.04 -0.04 10.20 10.17 2aenG1 TRP 137 HE3 -0.40 0.00 -0.31 -0.04 7.59 6.84 2aenG1 TRP 137 HZ2 0.03 0.03 -0.10 -0.04 7.44 7.36 2aenG1 TRP 137 HZ3 -0.04 -0.05 -0.44 -0.04 7.13 6.56 2aenG1 TRP 137 HH2 0.03 -0.09 -0.24 -0.04 7.19 6.84 2aenG1 LYS 138 H -0.20 0.64 0.32 -0.55 8.42 8.62 2aenG1 LYS 138 HA -0.18 0.27 1.07 -0.75 4.32 4.73 2aenG1 LYS 138 HB2 -0.09 0.03 0.13 -0.04 1.87 1.90 2aenG1 LYS 138 HB3 -0.82 -0.03 -0.02 -0.04 1.79 0.88 2aenG1 LYS 138 HG2 -0.14 -0.01 -0.00 -0.04 1.46 1.27 2aenG1 LYS 138 HG3 -0.10 0.07 -0.33 -0.04 1.46 1.05 2aenG1 LYS 138 HD2 0.09 0.02 0.06 -0.04 1.69 1.82 2aenG1 LYS 138 HD3 -0.06 0.00 -0.02 -0.04 1.68 1.56 2aenG1 LYS 138 HE2 -0.04 -0.03 -0.04 -0.04 2.99 2.84 2aenG1 LYS 138 HE3 0.02 -0.09 0.01 -0.04 2.99 2.90 2aenG1 PHE 139 H -0.15 0.69 0.32 -0.55 8.34 8.65 2aenG1 PHE 139 HA -0.00 0.28 0.87 -0.75 4.62 5.02 2aenG1 PHE 139 HB2 -0.03 -0.01 0.18 -0.04 3.15 3.25 2aenG1 PHE 139 HB3 -0.01 -0.03 -0.05 -0.04 3.06 2.93 2aenG1 PHE 139 HD2 0.03 0.06 -0.19 -0.04 7.28 7.13 2aenG1 PHE 139 HE2 0.01 -0.00 -0.15 -0.04 7.38 7.20 2aenG1 PHE 139 HZ -0.28 0.07 -0.12 -0.04 7.32 6.95 2aenG1 PHE 140 H 0.17 0.72 0.36 -0.55 8.34 9.03 2aenG1 PHE 140 HA 0.01 0.17 0.98 -0.75 4.62 5.03 2aenG1 PHE 140 HB2 -0.17 -0.04 0.17 -0.04 3.15 3.06 2aenG1 PHE 140 HB3 -0.11 0.03 -0.02 -0.04 3.06 2.91 2aenG1 PHE 140 HD2 -0.07 0.09 -0.05 -0.04 7.28 7.21 2aenG1 PHE 140 HE2 -0.05 0.01 -0.05 -0.04 7.38 7.25 2aenG1 PHE 140 HZ -0.04 0.08 0.04 -0.04 7.32 7.35 2aenG1 GLU 141 H 0.09 0.64 0.36 -0.55 8.60 9.15 2aenG1 GLU 141 HA 0.01 0.16 0.81 -0.75 4.29 4.52 2aenG1 GLU 141 HB2 0.09 -0.11 0.24 -0.04 2.09 2.27 2aenG1 GLU 141 HB3 0.12 0.00 -0.03 -0.04 1.99 2.04 2aenG1 GLU 141 HG2 0.10 0.00 -0.10 -0.04 2.34 2.30 2aenG1 GLU 141 HG3 0.11 0.03 -0.09 -0.04 2.34 2.35 2aenG1 MET 142 H -0.02 0.85 0.43 -0.55 8.47 9.18 2aenG1 MET 142 HA 0.08 0.24 0.89 -0.75 4.52 4.98 2aenG1 MET 142 HB2 -0.24 -0.05 0.18 -0.04 2.15 1.99 2aenG1 MET 142 HB3 -0.14 -0.02 -0.06 -0.04 2.03 1.76 2aenG1 MET 142 HG2 -0.32 0.12 -0.05 -0.04 2.63 2.35 2aenG1 MET 142 HG3 -0.80 -0.02 -0.11 -0.04 2.56 1.58 2aenG1 MET 142 HE3 -0.34 -0.02 -0.26 -0.04 2.10 1.43 2aenG1 PHE 143 H 0.31 0.69 0.43 -0.55 8.34 9.22 2aenG1 PHE 143 HA 0.14 0.40 1.13 -0.75 4.62 5.54 2aenG1 PHE 143 HB2 -0.00 -0.06 -0.03 -0.04 3.15 3.02 2aenG1 PHE 143 HB3 0.02 -0.01 0.14 -0.04 3.06 3.18 2aenG1 PHE 143 HD2 -0.20 -0.02 -0.13 -0.04 7.28 6.88 2aenG1 PHE 143 HE2 -0.26 -0.07 -0.06 -0.04 7.38 6.95 2aenG1 PHE 143 HZ 0.03 0.10 0.01 -0.04 7.32 7.42 2aenG1 LYS 144 H -0.71 0.54 0.35 -0.55 8.42 8.05 2aenG1 LYS 144 HA -0.53 0.17 0.34 -0.75 4.32 3.54 2aenG1 LYS 144 HB2 -0.69 -0.14 -0.12 -0.04 1.87 0.88 2aenG1 LYS 144 HB3 -0.97 0.08 -0.37 -0.04 1.79 0.48 2aenG1 LYS 144 HG2 -1.20 -0.05 -0.11 -0.04 1.46 0.06 2aenG1 LYS 144 HG3 -1.08 -0.08 -0.25 -0.04 1.46 0.01 2aenG1 LYS 144 HD2 -0.98 0.09 -0.20 -0.04 1.69 0.55 2aenG1 LYS 144 HD3 -1.60 -0.04 -0.21 -0.04 1.68 -0.21 2aenG1 LYS 144 HE2 -1.43 -0.12 -0.13 -0.04 2.99 1.27 2aenG1 LYS 144 HE3 -2.26 -0.05 -0.15 -0.04 2.99 0.50 2aenG1 GLY 145 H -0.31 0.15 0.08 -0.55 8.43 7.80 2aenG1 GLY 145 HA2 -0.05 0.24 0.55 -0.51 4.01 4.25 2aenG1 GLY 145 HA3 0.07 0.04 0.29 -0.51 4.01 3.90 2aenG1 SER 146 H -0.40 0.16 -0.06 -0.55 8.46 7.60 2aenG1 SER 146 HA 0.08 0.30 0.46 -0.75 4.49 4.57 2aenG1 SER 146 HB2 -0.11 -0.03 0.11 -0.04 3.95 3.88 2aenG1 SER 146 HB3 -0.05 0.16 -0.06 -0.04 3.93 3.94 2aenG1 SER 147 H -0.20 0.23 0.07 -0.55 8.46 8.01 2aenG1 SER 147 HA -1.15 0.08 0.25 -0.75 4.49 2.92 2aenG1 SER 147 HB2 0.07 0.06 0.05 -0.04 3.95 4.09 2aenG1 SER 147 HB3 -0.07 -0.03 0.13 -0.04 3.93 3.92 2aenG1 GLN 148 H -0.26 0.00 -0.18 -0.55 8.47 7.49 2aenG1 GLN 148 HA -0.25 0.28 0.82 -0.75 4.36 4.46 2aenG1 GLN 148 HB2 -0.13 -0.05 0.02 -0.04 2.15 1.94 2aenG1 GLN 148 HB3 -0.12 0.03 0.13 -0.04 2.02 2.02 2aenG1 GLN 148 HG2 -0.11 0.09 -0.07 -0.04 2.40 2.27 2aenG1 GLN 148 HG3 -0.11 -0.09 -0.13 -0.04 2.39 2.01 2aenG1 GLN 148 HE21 -0.04 -0.01 -0.01 -0.04 6.97 6.87 2aenG1 GLN 148 HE22 -0.05 0.03 -0.03 -0.04 7.69 7.60 2aenG1 GLY 149 H -0.45 0.19 -0.48 -0.55 8.43 7.15 2aenG1 GLY 149 HA2 -0.20 0.05 0.38 -0.51 4.01 3.73 2aenG1 GLY 149 HA3 -0.31 -0.10 0.26 -0.51 4.01 3.34 2aenG1 ASP 150 H -0.16 0.07 0.16 -0.55 8.40 7.93 2aenG1 ASP 150 HA -0.14 0.15 0.74 -0.75 4.63 4.63 2aenG1 ASP 150 HB2 -0.04 -0.05 0.10 -0.04 2.71 2.67 2aenG1 ASP 150 HB3 -0.00 0.10 0.04 -0.04 2.70 2.80 2aenG1 PHE 151 H 0.12 0.11 0.11 -0.55 8.34 8.12 2aenG1 PHE 151 HA -0.01 0.29 0.54 -0.75 4.62 4.68 2aenG1 PHE 151 HB2 0.27 -0.02 0.04 -0.04 3.15 3.39 2aenG1 PHE 151 HB3 0.14 -0.03 -0.14 -0.04 3.06 2.99 2aenG1 PHE 151 HD2 0.06 -0.03 -0.34 -0.04 7.28 6.93 2aenG1 PHE 151 HE2 0.12 0.03 -0.16 -0.04 7.38 7.33 2aenG1 PHE 151 HZ 0.26 -0.02 -0.17 -0.04 7.32 7.35 2aenG1 SER 152 H 0.22 0.56 0.41 -0.55 8.46 9.11 2aenG1 SER 152 HA 0.14 0.13 0.68 -0.75 4.49 4.69 2aenG1 SER 152 HB2 0.09 0.01 0.05 -0.04 3.95 4.06 2aenG1 SER 152 HB3 0.09 0.05 -0.02 -0.04 3.93 4.01 2aenG1 ASN 153 H 0.07 0.16 0.12 -0.55 8.53 8.34 2aenG1 ASN 153 HA 0.06 0.25 0.82 -0.75 4.76 5.14 2aenG1 ASN 153 HB2 -0.02 -0.01 0.07 -0.04 2.88 2.88 2aenG1 ASN 153 HB3 0.05 -0.01 0.20 -0.04 2.79 2.98 2aenG1 ASN 153 HD21 0.26 0.08 -0.04 -0.04 7.03 7.29 2aenG1 ASN 153 HD22 0.13 0.28 0.09 -0.04 7.74 8.19 2aenG1 ARG 154 H 0.10 0.53 0.41 -0.55 8.46 8.95 2aenG1 ARG 154 HA 0.02 0.09 0.45 -0.75 4.34 4.14 2aenG1 ARG 154 HB2 0.06 -0.01 0.07 -0.04 1.90 1.98 2aenG1 ARG 154 HB3 0.04 -0.01 0.08 -0.04 1.80 1.86 2aenG1 ARG 154 HG2 -0.09 0.00 -0.13 -0.04 1.67 1.41 2aenG1 ARG 154 HG3 -0.10 -0.00 0.05 -0.04 1.67 1.57 2aenG1 ARG 154 HD2 -0.52 -0.01 -0.02 -0.04 3.22 2.62 2aenG1 ARG 154 HD3 -0.23 -0.01 -0.07 -0.04 3.22 2.87 2aenG1 ARG 155 H 0.07 0.30 0.24 -0.55 8.46 8.52 2aenG1 ARG 155 HA -0.00 0.17 0.75 -0.75 4.34 4.50 2aenG1 ARG 155 HB2 0.07 -0.06 -0.09 -0.04 1.90 1.78 2aenG1 ARG 155 HB3 0.04 0.01 -0.01 -0.04 1.80 1.81 2aenG1 ARG 155 HG2 -0.11 0.18 -0.14 -0.04 1.67 1.55 2aenG1 ARG 155 HG3 -0.02 -0.11 -0.44 -0.04 1.67 1.06 2aenG1 ARG 155 HD2 0.07 -0.03 -0.19 -0.04 3.22 3.03 2aenG1 ARG 155 HD3 -0.03 0.01 -0.17 -0.04 3.22 3.00 2aenG1 THR 156 H 0.07 0.25 0.25 -0.55 8.28 8.30 2aenG1 THR 156 HA -0.07 0.29 1.09 -0.75 4.39 4.95 2aenG1 THR 156 HB -0.02 -0.04 0.04 -0.04 4.32 4.27 2aenG1 THR 156 HG23 -0.54 0.01 -0.17 -0.04 1.22 0.48 2aenG1 LEU 157 H -0.01 0.67 0.40 -0.55 8.37 8.89 2aenG1 LEU 157 HA 0.09 0.25 0.94 -0.75 4.35 4.87 2aenG1 LEU 157 HB2 0.15 0.18 0.10 -0.04 1.64 2.02 2aenG1 LEU 157 HB3 0.18 -0.07 0.19 -0.04 1.64 1.90 2aenG1 LEU 157 HG 0.13 -0.05 -0.39 -0.04 1.64 1.29 2aenG1 LEU 157 HD13 0.09 0.04 -0.32 -0.04 0.93 0.69 2aenG1 LEU 157 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.76 2aenG1 THR 158 H 0.05 0.74 0.34 -0.55 8.28 8.87 2aenG1 THR 158 HA 0.03 0.28 1.03 -0.75 4.39 4.97 2aenG1 THR 158 HB 0.02 -0.05 0.18 -0.04 4.32 4.42 2aenG1 THR 158 HG23 0.00 0.01 -0.12 -0.04 1.22 1.07 2aenG1 SER 159 H 0.18 0.80 0.26 -0.55 8.46 9.15 2aenG1 SER 159 HA 0.09 0.09 1.01 -0.75 4.49 4.92 2aenG1 SER 159 HB2 0.11 0.12 -0.30 -0.04 3.95 3.84 2aenG1 SER 159 HB3 0.36 0.05 -0.07 -0.04 3.93 4.23 2aenG1 SER 160 H 0.08 0.25 0.19 -0.55 8.46 8.43 2aenG1 SER 160 HA 0.18 0.12 0.86 -0.75 4.49 4.89 2aenG1 SER 160 HB2 0.08 0.05 0.15 -0.04 3.95 4.19 2aenG1 SER 160 HB3 0.07 -0.02 0.09 -0.04 3.93 4.03 2aenG1 ASN 161 H 0.06 -0.05 -0.14 -0.55 8.53 7.85 2aenG1 ASN 161 HA 0.00 0.25 0.73 -0.75 4.76 4.99 2aenG1 ASN 161 HB2 -0.04 0.11 0.00 -0.04 2.88 2.91 2aenG1 ASN 161 HB3 -0.04 -0.03 0.02 -0.04 2.79 2.70 2aenG1 ASN 161 HD21 -0.01 0.20 -0.35 -0.04 7.03 6.83 2aenG1 ASN 161 HD22 -0.03 0.26 -0.08 -0.04 7.74 7.86 2aenG1 ARG 162 H 0.06 -0.03 -0.15 -0.55 8.46 7.79 2aenG1 ARG 162 HA 0.03 -0.02 0.17 -0.75 4.34 3.77 2aenG1 ARG 162 HB2 -0.16 0.16 -0.21 -0.04 1.90 1.65 2aenG1 ARG 162 HB3 -0.24 0.11 0.15 -0.04 1.80 1.78 2aenG1 ARG 162 HG2 -0.59 -0.05 -0.11 -0.04 1.67 0.88 2aenG1 ARG 162 HG3 -0.11 -0.06 -0.43 -0.04 1.67 1.02 2aenG1 ARG 162 HD2 -0.37 -0.02 -0.10 -0.04 3.22 2.69 2aenG1 ARG 162 HD3 -0.24 0.04 -0.12 -0.04 3.22 2.86 2aenG1 LEU 163 H -0.18 0.07 -0.22 -0.55 8.37 7.48 2aenG1 LEU 163 HA -0.17 0.36 0.94 -0.75 4.35 4.73 2aenG1 LEU 163 HB2 -0.15 -0.02 -0.10 -0.04 1.64 1.33 2aenG1 LEU 163 HB3 -0.11 -0.02 -0.20 -0.04 1.64 1.27 2aenG1 LEU 163 HG -0.09 0.19 -0.36 -0.04 1.64 1.34 2aenG1 LEU 163 HD13 -0.09 -0.01 -0.24 -0.04 0.93 0.56 2aenG1 LEU 163 HD23 -0.01 -0.00 -0.24 -0.04 0.89 0.60 2aenG1 VAL 164 H -0.13 0.57 0.26 -0.55 8.24 8.38 2aenG1 VAL 164 HA -0.09 0.18 0.81 -0.75 4.13 4.27 2aenG1 VAL 164 HB 0.12 0.00 0.07 -0.04 2.12 2.27 2aenG1 VAL 164 HG13 -0.44 -0.00 -0.18 -0.04 0.97 0.31 2aenG1 VAL 164 HG23 0.11 0.01 -0.12 -0.04 0.95 0.92 2aenG1 GLY 165 H 0.26 0.14 0.19 -0.55 8.43 8.48 2aenG1 GLY 165 HA2 0.33 0.47 1.07 -0.51 4.01 5.37 2aenG1 GLY 165 HA3 0.40 -0.04 0.25 -0.51 4.01 4.11 2aenG1 MET 166 H 0.53 0.51 0.29 -0.55 8.47 9.25 2aenG1 MET 166 HA 0.33 0.32 0.89 -0.75 4.52 5.31 2aenG1 MET 166 HB2 0.05 -0.02 -0.18 -0.04 2.15 1.97 2aenG1 MET 166 HB3 -0.03 -0.02 0.06 -0.04 2.03 2.00 2aenG1 MET 166 HG2 0.14 0.05 0.00 -0.04 2.63 2.78 2aenG1 MET 166 HG3 -0.10 -0.04 -0.12 -0.04 2.56 2.27 2aenG1 MET 166 HE3 -0.12 -0.00 -0.16 -0.04 2.10 1.77 2aenG1 LEU 167 H -0.11 0.66 0.32 -0.55 8.37 8.70 2aenG1 LEU 167 HA -0.33 0.30 0.91 -0.75 4.35 4.47 2aenG1 LEU 167 HB2 -2.45 -0.01 -0.19 -0.04 1.64 -1.06 2aenG1 LEU 167 HB3 -1.33 -0.02 -0.01 -0.04 1.64 0.24 2aenG1 LEU 167 HG -0.37 -0.03 -0.67 -0.04 1.64 0.53 2aenG1 LEU 167 HD13 -0.59 0.01 -0.31 -0.04 0.93 -0.01 2aenG1 LEU 167 HD23 -1.10 -0.01 -0.19 -0.04 0.89 -0.45 2aenG1 LYS 168 H -0.13 0.32 0.14 -0.55 8.42 8.19 2aenG1 LYS 168 HA 0.00 0.28 0.93 -0.75 4.32 4.77 2aenG1 LYS 168 HB2 -0.08 0.05 0.07 -0.04 1.87 1.87 2aenG1 LYS 168 HB3 -0.07 -0.06 -0.04 -0.04 1.79 1.57 2aenG1 LYS 168 HG2 -0.15 -0.02 -0.08 -0.04 1.46 1.17 2aenG1 LYS 168 HG3 -0.12 -0.10 -0.20 -0.04 1.46 1.00 2aenG1 LYS 168 HD2 -0.16 0.02 -0.10 -0.04 1.69 1.41 2aenG1 LYS 168 HD3 -0.16 0.04 -0.15 -0.04 1.68 1.37 2aenG1 LYS 168 HE2 -0.12 -0.14 -0.15 -0.04 2.99 2.54 2aenG1 LYS 168 HE3 -0.14 -0.08 -0.13 -0.04 2.99 2.60 2aenG1 TYR 169 H 0.22 0.81 0.23 -0.55 8.29 9.01 2aenG1 TYR 169 HA -0.05 -0.01 0.65 -0.75 4.56 4.40 2aenG1 TYR 169 HB2 -0.26 0.02 -0.05 -0.04 3.06 2.73 2aenG1 TYR 169 HB3 -0.34 0.03 -0.26 -0.04 2.98 2.37 2aenG1 TYR 169 HD2 -0.65 -0.02 -0.06 -0.04 7.15 6.39 2aenG1 TYR 169 HE2 -0.28 0.02 -0.06 -0.04 6.85 6.48 2aenG1 GLY 170 H -0.26 0.16 0.14 -0.55 8.43 7.93 2aenG1 GLY 170 HA2 -0.33 0.05 0.33 -0.51 4.01 3.55 2aenG1 GLY 170 HA3 -0.65 0.11 0.28 -0.51 4.01 3.24 2aenG1 GLY 171 H -0.09 0.00 -0.21 -0.55 8.43 7.59 2aenG1 GLY 171 HA2 -0.08 -0.07 0.27 -0.51 4.01 3.63 2aenG1 GLY 171 HA3 -0.08 0.12 0.49 -0.51 4.01 4.03 2aenG1 ARG 172 H 0.00 0.38 -0.36 -0.55 8.46 7.93 2aenG1 ARG 172 HA -0.19 0.16 0.95 -0.75 4.34 4.50 2aenG1 ARG 172 HB2 -0.35 0.03 -0.08 -0.04 1.90 1.45 2aenG1 ARG 172 HB3 -0.56 0.03 0.05 -0.04 1.80 1.28 2aenG1 ARG 172 HG2 -0.19 -0.02 -0.17 -0.04 1.67 1.25 2aenG1 ARG 172 HG3 -0.12 0.09 -0.39 -0.04 1.67 1.20 2aenG1 ARG 172 HD2 -0.28 0.00 -0.11 -0.04 3.22 2.79 2aenG1 ARG 172 HD3 -0.46 -0.07 -0.21 -0.04 3.22 2.44 2aenG1 VAL 173 H -0.28 0.56 0.31 -0.55 8.24 8.28 2aenG1 VAL 173 HA -0.04 0.28 1.05 -0.75 4.13 4.67 2aenG1 VAL 173 HB -0.11 -0.03 0.09 -0.04 2.12 2.03 2aenG1 VAL 173 HG13 0.10 0.00 -0.20 -0.04 0.97 0.83 2aenG1 VAL 173 HG23 -0.56 -0.01 -0.14 -0.04 0.95 0.20 2aenG1 TRP 174 H 0.18 0.68 0.39 -0.55 7.97 8.68 2aenG1 TRP 174 HA 0.06 0.38 1.10 -0.75 4.62 5.41 2aenG1 TRP 174 HB2 -0.34 -0.09 0.01 -0.04 3.23 2.77 2aenG1 TRP 174 HB3 0.08 0.01 -0.02 -0.04 3.23 3.25 2aenG1 TRP 174 HD1 -0.11 0.15 -0.17 -0.04 7.22 7.04 2aenG1 TRP 174 HE1 -0.04 0.43 -0.07 -0.04 10.20 10.48 2aenG1 TRP 174 HE3 0.07 0.00 -0.31 -0.04 7.59 7.31 2aenG1 TRP 174 HZ2 -0.03 0.03 -0.12 -0.04 7.44 7.28 2aenG1 TRP 174 HZ3 0.06 0.02 -0.17 -0.04 7.13 7.00 2aenG1 TRP 174 HH2 0.06 0.01 -0.09 -0.04 7.19 7.12 2aenG1 THR 175 H 0.33 0.48 0.36 -0.55 8.28 8.91 2aenG1 THR 175 HA 0.62 0.24 0.67 -0.75 4.39 5.17 2aenG1 THR 175 HB 0.36 0.05 0.17 -0.04 4.32 4.85 2aenG1 THR 175 HG23 0.32 -0.01 -0.19 -0.04 1.22 1.30 2aenG1 PHE 176 H 0.53 0.15 0.18 -0.55 8.34 8.65 2aenG1 PHE 176 HA 0.14 0.31 0.90 -0.75 4.62 5.21 2aenG1 PHE 176 HB2 0.02 -0.11 0.08 -0.04 3.15 3.11 2aenG1 PHE 176 HB3 -0.02 0.06 -0.15 -0.04 3.06 2.91 2aenG1 PHE 176 HD2 -0.12 -0.01 -0.30 -0.04 7.28 6.81 2aenG1 PHE 176 HE2 -1.06 0.02 -0.21 -0.04 7.38 6.09 2aenG1 PHE 176 HZ -0.58 -0.03 -0.22 -0.04 7.32 6.45 2aenG1 HIS 177 H -0.06 0.69 0.34 -0.55 8.41 8.84 2aenG1 HIS 177 HA 0.12 0.16 0.71 -0.75 4.63 4.86 2aenG1 HIS 177 HB2 0.07 -0.00 0.20 -0.04 3.26 3.49 2aenG1 HIS 177 HB3 0.10 -0.03 -0.21 -0.04 3.20 3.01 2aenG1 HIS 177 HD2 0.07 0.00 -0.18 -0.04 6.97 6.82 2aenG1 HIS 177 HE1 0.04 -0.01 -0.05 -0.04 7.75 7.68 2aenG1 GLY 178 H 0.19 0.55 0.45 -0.55 8.43 9.07 2aenG1 GLY 178 HA2 0.11 0.02 0.40 -0.51 4.01 4.02 2aenG1 GLY 178 HA3 -0.01 0.16 0.84 -0.51 4.01 4.49 2aenG1 GLU 179 H 0.02 0.25 0.08 -0.55 8.60 8.40 2aenG1 GLU 179 HA 0.04 0.30 1.18 -0.75 4.29 5.06 2aenG1 GLU 179 HB2 0.03 -0.06 -0.06 -0.04 2.09 1.95 2aenG1 GLU 179 HB3 0.02 -0.02 0.09 -0.04 1.99 2.05 2aenG1 GLU 179 HG2 0.02 0.28 -0.16 -0.04 2.34 2.44 2aenG1 GLU 179 HG3 0.03 0.04 0.04 -0.04 2.34 2.41 2aenG1 THR 180 H 0.03 0.55 0.35 -0.55 8.28 8.67 2aenG1 THR 180 HA -0.00 -0.12 0.51 -0.75 4.39 4.02 2aenG1 THR 180 HB -0.01 0.28 0.24 -0.04 4.32 4.80 2aenG1 THR 180 HG23 -0.01 0.03 0.07 -0.04 1.22 1.27 2aenG1 PRO 181 HA -0.02 0.05 0.47 -0.51 4.44 4.43 2aenG1 PRO 181 HB2 -0.02 -0.01 0.20 -0.04 2.28 2.41 2aenG1 PRO 181 HB3 -0.01 0.21 0.20 -0.04 2.02 2.38 2aenG1 PRO 181 HG2 -0.00 0.00 0.03 -0.04 2.03 2.01 2aenG1 PRO 181 HG3 -0.00 0.02 0.11 -0.04 2.03 2.11 2aenG1 PRO 181 HD2 0.00 0.06 0.26 -0.04 3.68 3.97 2aenG1 PRO 181 HD3 0.01 0.09 0.27 -0.04 3.65 3.97 2aenG1 ARG 182 H 0.00 0.52 0.23 -0.55 8.46 8.66 2aenG1 ARG 182 HA -0.00 0.22 0.89 -0.75 4.34 4.69 2aenG1 ARG 182 HB2 0.01 0.08 0.13 -0.04 1.90 2.08 2aenG1 ARG 182 HB3 0.00 -0.05 0.20 -0.04 1.80 1.91 2aenG1 ARG 182 HG2 -0.00 0.06 -0.07 -0.04 1.67 1.61 2aenG1 ARG 182 HG3 0.00 -0.03 -0.21 -0.04 1.67 1.39 2aenG1 ARG 182 HD2 0.00 -0.01 -0.02 -0.04 3.22 3.15 2aenG1 ARG 182 HD3 0.01 -0.00 -0.01 -0.04 3.22 3.17 2aenG1 ALA 183 H 0.01 0.02 -0.28 -0.55 8.40 7.60 2aenG1 ALA 183 HA -0.02 0.12 0.52 -0.75 4.34 4.21 2aenG1 ALA 183 HB3 0.07 -0.02 -0.21 -0.04 1.41 1.20 2aenG1 THR 184 H -0.19 0.46 0.36 -0.55 8.28 8.36 2aenG1 THR 184 HA -0.01 0.15 0.83 -0.75 4.39 4.60 2aenG1 THR 184 HB -0.04 -0.02 0.13 -0.04 4.32 4.35 2aenG1 THR 184 HG23 -0.02 0.05 -0.14 -0.04 1.22 1.06 2aenG1 THR 185 H -0.13 0.11 0.15 -0.55 8.28 7.87 2aenG1 THR 185 HA -0.14 0.37 0.96 -0.75 4.39 4.82 2aenG1 THR 185 HB 0.27 0.00 0.02 -0.04 4.32 4.57 2aenG1 THR 185 HG23 -0.92 -0.01 -0.17 -0.04 1.22 0.08 2aenG1 ASP 186 H 0.30 0.46 0.38 -0.55 8.40 9.00 2aenG1 ASP 186 HA 0.18 0.08 0.64 -0.75 4.63 4.78 2aenG1 ASP 186 HB2 0.36 0.04 -0.26 -0.04 2.71 2.80 2aenG1 ASP 186 HB3 0.11 -0.02 -0.07 -0.04 2.70 2.68 2aenG1 SER 187 H -0.24 0.17 0.18 -0.55 8.46 8.03 2aenG1 SER 187 HA -0.71 0.35 1.06 -0.75 4.49 4.44 2aenG1 SER 187 HB2 -1.35 0.03 -0.05 -0.04 3.95 2.53 2aenG1 SER 187 HB3 -2.74 -0.04 -0.12 -0.04 3.93 0.99 2aenG1 SER 188 H -0.41 0.57 0.37 -0.55 8.46 8.44 2aenG1 SER 188 HA -0.17 0.12 0.85 -0.75 4.49 4.53 2aenG1 SER 188 HB2 0.10 -0.06 0.08 -0.04 3.95 4.03 2aenG1 SER 188 HB3 0.03 0.05 0.03 -0.04 3.93 4.01 2aenG1 ASN 189 H -0.10 0.13 0.15 -0.55 8.53 8.17 2aenG1 ASN 189 HA -0.13 0.17 0.72 -0.75 4.76 4.76 2aenG1 ASN 189 HB2 -0.04 -0.01 0.08 -0.04 2.88 2.87 2aenG1 ASN 189 HB3 -0.05 0.03 0.05 -0.04 2.79 2.78 2aenG1 ASN 189 HD21 -0.07 0.01 -0.01 -0.04 7.03 6.92 2aenG1 ASN 189 HD22 -0.05 -0.00 0.00 -0.04 7.74 7.65 2aenG1 THR 190 H -0.07 0.47 0.30 -0.55 8.28 8.43 2aenG1 THR 190 HA 0.05 0.12 0.38 -0.75 4.39 4.19 2aenG1 THR 190 HB -0.03 0.19 -0.08 -0.04 4.32 4.35 2aenG1 THR 190 HG23 -0.20 0.01 -0.22 -0.04 1.22 0.77 2aenG1 ALA 191 H 0.01 0.18 0.10 -0.55 8.40 8.14 2aenG1 ALA 191 HA -0.03 0.21 0.76 -0.75 4.34 4.52 2aenG1 ALA 191 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 2aenG1 ASP 192 H -0.06 0.05 -0.37 -0.55 8.40 7.48 2aenG1 ASP 192 HA -0.06 0.17 0.72 -0.75 4.63 4.71 2aenG1 ASP 192 HB2 -0.04 0.09 -0.25 -0.04 2.71 2.48 2aenG1 ASP 192 HB3 -0.07 -0.08 0.07 -0.04 2.70 2.59 2aenG1 LEU 193 H -0.09 0.24 -0.09 -0.55 8.37 7.88 2aenG1 LEU 193 HA -0.19 0.10 0.31 -0.75 4.35 3.82 2aenG1 LEU 193 HB2 -0.12 0.13 -0.12 -0.04 1.64 1.49 2aenG1 LEU 193 HB3 -0.09 -0.04 0.02 -0.04 1.64 1.49 2aenG1 LEU 193 HG -0.11 0.09 -0.31 -0.04 1.64 1.26 2aenG1 LEU 193 HD13 -0.17 0.01 -0.26 -0.04 0.93 0.46 2aenG1 LEU 193 HD23 -0.06 -0.05 -0.18 -0.04 0.89 0.55 2aenG1 ASN 194 H -0.08 0.05 -0.09 -0.55 8.53 7.86 2aenG1 ASN 194 HA -0.09 0.12 0.13 -0.75 4.76 4.17 2aenG1 ASN 194 HB2 -0.06 -0.03 0.06 -0.04 2.88 2.81 2aenG1 ASN 194 HB3 -0.06 0.09 0.02 -0.04 2.79 2.79 2aenG1 ASN 194 HD21 -0.04 -0.01 0.01 -0.04 7.03 6.96 2aenG1 ASN 194 HD22 -0.04 0.04 0.01 -0.04 7.74 7.71 2aenG1 ASN 195 H -0.09 -0.02 -0.48 -0.55 8.53 7.40 2aenG1 ASN 195 HA -0.08 0.17 0.41 -0.75 4.76 4.51 2aenG1 ASN 195 HB2 -0.08 -0.04 0.01 -0.04 2.88 2.73 2aenG1 ASN 195 HB3 -0.07 0.05 0.13 -0.04 2.79 2.86 2aenG1 ASN 195 HD21 -0.04 0.00 -0.03 -0.04 7.03 6.93 2aenG1 ASN 195 HD22 -0.05 -0.02 -0.01 -0.04 7.74 7.62 2aenG1 ILE 196 H -0.14 0.43 -0.38 -0.55 8.25 7.61 2aenG1 ILE 196 HA -0.11 0.00 0.37 -0.75 4.18 3.69 2aenG1 ILE 196 HB -0.20 0.15 0.08 -0.04 1.89 1.88 2aenG1 ILE 196 HG12 -0.20 -0.15 -0.13 -0.04 1.49 0.97 2aenG1 ILE 196 HG13 -0.21 0.12 0.02 -0.04 1.21 1.10 2aenG1 ILE 196 HG23 -0.12 -0.03 -0.28 -0.04 0.93 0.46 2aenG1 ILE 196 HD13 -0.71 -0.04 -0.12 -0.04 0.88 -0.03 2aenG1 SER 197 H -0.04 0.57 0.39 -0.55 8.46 8.84 2aenG1 SER 197 HA -0.09 0.21 0.97 -0.75 4.49 4.83 2aenG1 SER 197 HB2 -0.04 0.03 -0.02 -0.04 3.95 3.88 2aenG1 SER 197 HB3 -0.00 0.01 0.12 -0.04 3.93 4.02 2aenG1 ILE 198 H -0.01 0.69 0.36 -0.55 8.25 8.74 2aenG1 ILE 198 HA 0.10 0.25 1.12 -0.75 4.18 4.89 2aenG1 ILE 198 HB -0.08 -0.03 -0.25 -0.04 1.89 1.49 2aenG1 ILE 198 HG12 -0.06 0.02 -0.45 -0.04 1.49 0.96 2aenG1 ILE 198 HG13 0.07 -0.02 -0.29 -0.04 1.21 0.93 2aenG1 ILE 198 HG23 -0.12 0.04 0.04 -0.04 0.93 0.84 2aenG1 ILE 198 HD13 -0.79 -0.01 -0.18 -0.04 0.88 -0.14 2aenG1 ILE 199 H 0.12 0.66 0.40 -0.55 8.25 8.89 2aenG1 ILE 199 HA 0.06 0.18 1.00 -0.75 4.18 4.66 2aenG1 ILE 199 HB 0.12 -0.11 0.29 -0.04 1.89 2.16 2aenG1 ILE 199 HG12 0.05 0.02 0.03 -0.04 1.49 1.55 2aenG1 ILE 199 HG13 0.10 0.01 0.04 -0.04 1.21 1.32 2aenG1 ILE 199 HG23 -0.05 0.01 -0.11 -0.04 0.93 0.73 2aenG1 ILE 199 HD13 0.06 -0.02 0.01 -0.04 0.88 0.90 2aenG1 ILE 200 H 0.04 0.84 0.36 -0.55 8.25 8.95 2aenG1 ILE 200 HA 0.18 0.09 0.91 -0.75 4.18 4.59 2aenG1 ILE 200 HB -0.08 -0.00 0.17 -0.04 1.89 1.94 2aenG1 ILE 200 HG12 -0.24 -0.04 -0.17 -0.04 1.49 1.00 2aenG1 ILE 200 HG13 -0.11 -0.00 -0.30 -0.04 1.21 0.75 2aenG1 ILE 200 HG23 -0.12 0.01 -0.09 -0.04 0.93 0.69 2aenG1 ILE 200 HD13 -0.78 -0.00 -0.11 -0.04 0.88 -0.06 2aenG1 HIS 201 H 0.33 0.69 0.35 -0.55 8.41 9.23 2aenG1 HIS 201 HA 0.06 0.05 0.42 -0.75 4.63 4.40 2aenG1 HIS 201 HB2 0.07 0.15 0.13 -0.04 3.26 3.57 2aenG1 HIS 201 HB3 0.06 -0.05 0.12 -0.04 3.20 3.29 2aenG1 HIS 201 HD2 0.06 0.10 -0.27 -0.04 6.97 6.81 2aenG1 HIS 201 HE1 0.02 -0.05 -0.02 -0.04 7.75 7.65 2aenG1 SER 202 H 0.17 0.14 -0.09 -0.55 8.46 8.13 2aenG1 SER 202 HA 0.09 0.13 0.85 -0.75 4.49 4.81 2aenG1 SER 202 HB2 0.11 -0.09 -0.15 -0.04 3.95 3.78 2aenG1 SER 202 HB3 0.06 0.33 0.11 -0.04 3.93 4.39 2aenG1 GLU 203 H 0.04 0.09 0.17 -0.55 8.60 8.36 2aenG1 GLU 203 HA 0.07 0.26 0.41 -0.75 4.29 4.27 2aenG1 GLU 203 HB2 -0.21 0.05 -0.03 -0.04 2.09 1.86 2aenG1 GLU 203 HB3 -0.06 -0.06 0.08 -0.04 1.99 1.92 2aenG1 GLU 203 HG2 -0.02 0.01 0.12 -0.04 2.34 2.41 2aenG1 GLU 203 HG3 -0.13 -0.03 -0.17 -0.04 2.34 1.98 2aenG1 PHE 204 H -0.37 0.52 0.32 -0.55 8.34 8.26 2aenG1 PHE 204 HA -0.10 0.19 0.96 -0.75 4.62 4.91 2aenG1 PHE 204 HB2 0.06 -0.03 -0.13 -0.04 3.15 3.01 2aenG1 PHE 204 HB3 0.02 0.05 -0.33 -0.04 3.06 2.76 2aenG1 PHE 204 HD2 0.04 0.14 -0.21 -0.04 7.28 7.20 2aenG1 PHE 204 HE2 -0.12 0.08 -0.19 -0.04 7.38 7.11 2aenG1 PHE 204 HZ -0.42 -0.03 -0.14 -0.04 7.32 6.69 2aenG1 TYR 205 H 0.36 0.56 0.35 -0.55 8.29 9.01 2aenG1 TYR 205 HA 0.08 0.25 1.06 -0.75 4.56 5.19 2aenG1 TYR 205 HB2 0.05 -0.07 -0.02 -0.04 3.06 2.98 2aenG1 TYR 205 HB3 0.03 0.04 -0.03 -0.04 2.98 2.97 2aenG1 TYR 205 HD2 -0.05 0.11 -0.31 -0.04 7.15 6.86 2aenG1 TYR 205 HE2 -0.10 0.06 -0.24 -0.04 6.85 6.53 2aenG1 ILE 206 H 0.30 0.61 0.32 -0.55 8.25 8.94 2aenG1 ILE 206 HA 0.32 0.36 1.10 -0.75 4.18 5.21 2aenG1 ILE 206 HB 0.16 -0.03 0.13 -0.04 1.89 2.11 2aenG1 ILE 206 HG12 0.27 0.06 -0.13 -0.04 1.49 1.65 2aenG1 ILE 206 HG13 0.07 -0.07 -0.32 -0.04 1.21 0.85 2aenG1 ILE 206 HG23 0.12 -0.01 -0.17 -0.04 0.93 0.84 2aenG1 ILE 206 HD13 -0.40 -0.01 -0.08 -0.04 0.88 0.36 2aenG1 ILE 207 H 0.37 0.68 0.24 -0.55 8.25 8.99 2aenG1 ILE 207 HA 0.24 0.21 0.98 -0.75 4.18 4.86 2aenG1 ILE 207 HB 0.31 -0.07 0.00 -0.04 1.89 2.09 2aenG1 ILE 207 HG12 0.17 0.05 -0.18 -0.04 1.49 1.49 2aenG1 ILE 207 HG13 0.23 -0.06 -0.50 -0.04 1.21 0.85 2aenG1 ILE 207 HG23 0.15 0.04 -0.20 -0.04 0.93 0.87 2aenG1 ILE 207 HD13 0.14 -0.01 -0.18 -0.04 0.88 0.79 2aenG1 PRO 208 HA -0.29 0.20 0.58 -0.51 4.44 4.41 2aenG1 PRO 208 HB2 -0.09 -0.15 0.02 -0.04 2.28 2.02 2aenG1 PRO 208 HB3 -0.15 0.12 0.14 -0.04 2.02 2.09 2aenG1 PRO 208 HG2 0.06 -0.04 0.06 -0.04 2.03 2.06 2aenG1 PRO 208 HG3 0.10 0.11 0.08 -0.04 2.03 2.28 2aenG1 PRO 208 HD2 0.15 0.10 0.23 -0.04 3.68 4.13 2aenG1 PRO 208 HD3 0.25 0.21 0.17 -0.04 3.65 4.24 2aenG1 ARG 209 H -0.27 0.64 0.33 -0.55 8.46 8.61 2aenG1 ARG 209 HA 0.17 0.06 0.24 -0.75 4.34 4.05 2aenG1 ARG 209 HB2 -0.32 0.10 0.05 -0.04 1.90 1.68 2aenG1 ARG 209 HB3 -0.29 0.00 0.06 -0.04 1.80 1.54 2aenG1 ARG 209 HG2 -0.25 -0.02 0.00 -0.04 1.67 1.36 2aenG1 ARG 209 HG3 -0.32 -0.00 -0.06 -0.04 1.67 1.25 2aenG1 ARG 209 HD2 -1.21 0.01 -0.09 -0.04 3.22 1.90 2aenG1 ARG 209 HD3 -0.86 -0.03 -0.06 -0.04 3.22 2.23 2aenG1 SER 210 H -0.11 0.11 -0.19 -0.55 8.46 7.73 2aenG1 SER 210 HA -0.07 0.08 0.47 -0.75 4.49 4.21 2aenG1 SER 210 HB2 -0.04 0.04 0.08 -0.04 3.95 3.99 2aenG1 SER 210 HB3 -0.07 -0.00 0.09 -0.04 3.93 3.90 2aenG1 GLN 211 H 0.02 0.53 -0.52 -0.55 8.47 7.95 2aenG1 GLN 211 HA -0.01 0.16 0.82 -0.75 4.36 4.58 2aenG1 GLN 211 HB2 0.06 0.14 0.06 -0.04 2.15 2.37 2aenG1 GLN 211 HB3 0.03 -0.08 0.17 -0.04 2.02 2.10 2aenG1 GLN 211 HG2 0.01 0.04 -0.02 -0.04 2.40 2.39 2aenG1 GLN 211 HG3 0.01 -0.08 -0.24 -0.04 2.39 2.04 2aenG1 GLN 211 HE21 0.04 0.04 -0.00 -0.04 6.97 7.01 2aenG1 GLN 211 HE22 0.02 -0.00 -0.03 -0.04 7.69 7.64 2aenG1 GLU 212 H 0.02 0.52 -0.27 -0.55 8.60 8.32 2aenG1 GLU 212 HA -0.03 0.02 0.29 -0.75 4.29 3.82 2aenG1 GLU 212 HB2 0.20 0.11 0.13 -0.04 2.09 2.50 2aenG1 GLU 212 HB3 0.01 0.02 0.04 -0.04 1.99 2.03 2aenG1 GLU 212 HG2 -0.01 -0.01 -0.20 -0.04 2.34 2.09 2aenG1 GLU 212 HG3 -0.12 -0.06 -0.01 -0.04 2.34 2.11 2aenG1 SER 213 H -0.04 0.15 -0.35 -0.55 8.46 7.68 2aenG1 SER 213 HA -0.07 0.07 0.40 -0.75 4.49 4.14 2aenG1 SER 213 HB2 -0.06 0.01 0.03 -0.04 3.95 3.89 2aenG1 SER 213 HB3 -0.08 0.06 -0.03 -0.04 3.93 3.84 2aenG1 LYS 214 H -0.09 0.24 -0.27 -0.55 8.42 7.74 2aenG1 LYS 214 HA -0.34 0.08 0.46 -0.75 4.32 3.76 2aenG1 LYS 214 HB2 -0.04 0.14 0.10 -0.04 1.87 2.02 2aenG1 LYS 214 HB3 -0.17 0.01 -0.05 -0.04 1.79 1.54 2aenG1 LYS 214 HG2 -0.10 -0.09 -0.01 -0.04 1.46 1.22 2aenG1 LYS 214 HG3 -0.03 0.02 0.01 -0.04 1.46 1.42 2aenG1 LYS 214 HD2 -0.05 0.06 -0.04 -0.04 1.69 1.62 2aenG1 LYS 214 HD3 -0.30 -0.01 -0.01 -0.04 1.68 1.32 2aenG1 LYS 214 HE2 -0.10 -0.03 -0.06 -0.04 2.99 2.76 2aenG1 LYS 214 HE3 -0.05 -0.00 -0.03 -0.04 2.99 2.87 2aenG1 CYS 215 H -0.12 0.33 -0.18 -0.55 8.50 7.98 2aenG1 CYS 215 HA -0.05 0.02 0.32 -0.75 4.58 4.12 2aenG1 CYS 215 HB2 -0.18 0.01 -0.03 -0.04 2.97 2.73 2aenG1 CYS 215 HB3 -0.46 0.08 0.03 -0.04 2.97 2.59 2aenG1 ASN 216 H -0.18 0.74 -0.13 -0.55 8.53 8.41 2aenG1 ASN 216 HA -0.22 -0.02 0.34 -0.75 4.76 4.10 2aenG1 ASN 216 HB2 -0.09 0.09 0.18 -0.04 2.88 3.01 2aenG1 ASN 216 HB3 -0.09 0.04 -0.06 -0.04 2.79 2.65 2aenG1 ASN 216 HD21 0.01 -0.04 -0.07 -0.04 7.03 6.89 2aenG1 ASN 216 HD22 -0.03 -0.05 -0.10 -0.04 7.74 7.52 2aenG1 GLU 217 H -0.25 0.49 -0.23 -0.55 8.60 8.07 2aenG1 GLU 217 HA -0.16 0.01 0.33 -0.75 4.29 3.71 2aenG1 GLU 217 HB2 -0.22 -0.02 0.08 -0.04 2.09 1.89 2aenG1 GLU 217 HB3 -0.47 0.11 0.16 -0.04 1.99 1.74 2aenG1 GLU 217 HG2 -0.28 -0.03 -0.06 -0.04 2.34 1.93 2aenG1 GLU 217 HG3 -0.29 0.07 -0.35 -0.04 2.34 1.73 2aenG1 TYR 218 H -0.37 0.53 -0.19 -0.55 8.29 7.70 2aenG1 TYR 218 HA -0.14 0.25 0.30 -0.75 4.56 4.22 2aenG1 TYR 218 HB2 -0.21 0.04 0.00 -0.04 3.06 2.85 2aenG1 TYR 218 HB3 -0.17 -0.08 -0.21 -0.04 2.98 2.48 2aenG1 TYR 218 HD2 -0.14 0.10 -0.17 -0.04 7.15 6.90 2aenG1 TYR 218 HE2 -0.10 -0.01 -0.10 -0.04 6.85 6.60 2aenG1 ILE 219 H -0.28 0.67 -0.15 -0.55 8.25 7.94 2aenG1 ILE 219 HA -0.24 -0.02 0.26 -0.75 4.18 3.43 2aenG1 ILE 219 HB -0.69 0.17 0.05 -0.04 1.89 1.38 2aenG1 ILE 219 HG12 -0.63 0.09 -0.12 -0.04 1.49 0.79 2aenG1 ILE 219 HG13 -2.10 -0.08 -0.21 -0.04 1.21 -1.23 2aenG1 ILE 219 HG23 -0.41 -0.02 -0.25 -0.04 0.93 0.21 2aenG1 ILE 219 HD13 -0.37 -0.02 -0.36 -0.04 0.88 0.09 2aenG1 ASN 220 H -0.18 0.49 -0.34 -0.55 8.53 7.96 2aenG1 ASN 220 HA -0.07 -0.06 0.44 -0.75 4.76 4.31 2aenG1 ASN 220 HB2 -0.10 0.19 0.08 -0.04 2.88 3.02 2aenG1 ASN 220 HB3 -0.05 0.00 0.08 -0.04 2.79 2.78 2aenG1 ASN 220 HD21 0.03 0.31 -0.05 -0.04 7.03 7.28 2aenG1 ASN 220 HD22 -0.05 0.05 -0.05 -0.04 7.74 7.65 2aenG1 ASN 221 H -0.07 0.43 -0.08 -0.55 8.53 8.27 2aenG1 ASN 221 HA -0.02 0.09 0.88 -0.75 4.76 4.95 2aenG1 ASN 221 HB2 -0.05 0.15 0.07 -0.04 2.88 3.01 2aenG1 ASN 221 HB3 -0.03 -0.08 0.13 -0.04 2.79 2.78 2aenG1 ASN 221 HD21 -0.06 -0.03 -0.06 -0.04 7.03 6.84 2aenG1 ASN 221 HD22 -0.09 0.10 0.04 -0.04 7.74 7.75 2aenG1 GLY 222 H -0.02 0.40 0.05 -0.55 8.43 8.32 2aenG1 GLY 222 HA2 -0.02 0.07 0.32 -0.51 4.01 3.87 2aenG1 GLY 222 HA3 -0.01 0.09 0.55 -0.51 4.01 4.13 2aenG1 LEU 223 H -0.06 0.17 0.02 -0.55 8.37 7.95 2aenG1 LEU 223 HA -0.14 0.11 0.34 -0.75 4.35 3.90 2aenG1 LEU 223 HB2 -0.13 0.03 0.05 -0.04 1.64 1.55 2aenG1 LEU 223 HB3 -0.28 0.00 0.02 -0.04 1.64 1.34 2aenG1 LEU 223 HG -0.17 0.02 -0.03 -0.04 1.64 1.42 2aenG1 LEU 223 HD13 -0.15 0.01 -0.07 -0.04 0.93 0.69 2aenG1 LEU 223 HD23 -0.66 -0.01 -0.13 -0.04 0.89 0.05