============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 11 0.900 46.084 55.621 77.479 -99.200 -91.000 PHE 17 1.000 45.634 44.386 69.401 -99.200 -91.000 HIS 18 0.900 52.601 42.873 63.137 -99.200 -91.000 PHE 19 1.000 43.990 43.424 63.041 -99.200 -91.000 PHE 28 1.000 24.727 39.459 67.910 -99.200 -91.000 HIS 36 0.900 49.789 44.399 72.133 -99.200 -91.000 PHE 42 1.000 50.258 33.934 67.983 -99.200 -91.000 TYR 43 0.840 45.804 39.209 73.846 -99.200 -91.000 HIS 62 0.900 31.617 30.581 85.540 -99.200 -91.000 PHE 64 1.000 33.775 25.745 83.765 -99.200 -91.000 HIS 69 0.900 43.269 38.996 77.795 -99.200 -91.000 PHE 70 1.000 43.515 45.567 75.194 -99.200 -91.000 PHE 72 1.000 41.531 48.404 70.233 -99.200 -91.000 TYR 79 0.840 39.327 47.589 66.009 -99.200 -91.000 PHE 80 1.000 33.504 44.864 71.600 -99.200 -91.000 TYR 84 0.840 43.867 31.175 68.857 -99.200 -91.000 PHE 91 1.000 27.871 20.889 69.529 -99.200 -91.000 TYR 92 0.840 37.894 19.362 64.609 -99.200 -91.000 HIS 93 0.900 37.843 18.575 69.654 -99.200 -91.000 PHE 100 1.000 31.720 14.839 72.467 -99.200 -91.000 PHE 107 1.000 34.994 18.062 82.202 -99.200 -91.000 TYR 108 0.840 33.373 17.957 76.735 -99.200 -91.000 TYR 118 0.840 29.038 34.015 88.371 -99.200 -91.000 HIS 120 0.900 20.009 31.332 83.957 -99.200 -91.000 TYR 126 0.840 25.683 32.050 76.315 -99.200 -91.000 HIS 141 0.900 38.878 22.169 82.606 -99.200 -91.000 PHE 147 1.000 32.656 39.935 73.704 -99.200 -91.000 HIS 156 0.900 21.273 40.387 64.520 -99.200 -91.000 PHE 163 1.000 15.309 21.569 51.387 -99.200 -91.000 TYR 169 0.840 21.360 23.344 70.027 -99.200 -91.000 HIS 176 0.900 4.377 29.483 70.070 -99.200 -91.000 TYR 180 0.840 15.347 35.703 73.412 -99.200 -91.000 TRP 186 1.040 17.680 26.605 83.240 -99.200 -91.000 TRP6 186 1.020 19.929 26.194 83.851 -99.200 -91.000 TRP 187 1.040 14.924 24.228 73.644 -99.200 -91.000 TRP6 187 1.020 13.060 22.783 73.533 -99.200 -91.000 TYR 194 0.840 18.027 14.635 70.902 -99.200 -91.000 TYR 198 0.840 19.697 10.477 71.594 -99.200 -91.000 PHE 203 1.000 11.855 18.371 69.568 -99.200 -91.000 TYR 204 0.840 19.115 17.710 61.002 -99.200 -91.000 TYR 212 0.840 12.472 27.289 62.345 -99.200 -91.000 HIS 232 0.900 13.478 12.591 85.513 -99.200 -91.000 PHE 252 1.000 23.957 25.319 88.645 -99.200 -91.000 HIS 258 0.900 18.170 15.027 86.363 -99.200 -91.000 PHE 260 1.000 23.713 13.130 82.477 -99.200 -91.000 PHE 261 1.000 24.427 17.594 84.794 -99.200 -91.000 TRP 266 1.040 27.228 20.371 90.677 -99.200 -91.000 TRP6 266 1.020 26.753 20.953 88.436 -99.200 -91.000 PHE 278 1.000 39.955 15.223 72.715 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hdnA1 ILE 83 H 0.02 0.12 0.05 -0.55 8.25 7.89 3hdnA1 ILE 83 HA 0.02 0.19 0.86 -0.75 4.18 4.50 3hdnA1 ILE 83 HB 0.03 -0.06 -0.02 -0.04 1.89 1.80 3hdnA1 ILE 83 HG12 0.02 -0.03 -0.15 -0.04 1.49 1.29 3hdnA1 ILE 83 HG13 0.02 -0.01 -0.08 -0.04 1.21 1.10 3hdnA1 ILE 83 HG23 0.03 0.03 -0.13 -0.04 0.93 0.82 3hdnA1 ILE 83 HD13 0.02 0.06 -0.17 -0.04 0.88 0.75 3hdnA1 ASN 84 H 0.02 0.20 0.10 -0.55 8.53 8.30 3hdnA1 ASN 84 HA 0.03 0.01 0.53 -0.75 4.76 4.58 3hdnA1 ASN 84 HB2 0.02 0.05 0.12 -0.04 2.88 3.03 3hdnA1 ASN 84 HB3 0.02 0.09 0.17 -0.04 2.79 3.04 3hdnA1 ASN 84 HD21 0.03 -0.01 -0.03 -0.04 7.03 6.97 3hdnA1 ASN 84 HD22 0.03 0.01 -0.19 -0.04 7.74 7.54 3hdnA1 LEU 85 H 0.06 0.13 0.25 -0.55 8.37 8.26 3hdnA1 LEU 85 HA 0.10 0.15 0.84 -0.75 4.35 4.68 3hdnA1 LEU 85 HB2 0.09 0.01 0.02 -0.04 1.64 1.72 3hdnA1 LEU 85 HB3 0.15 -0.05 0.01 -0.04 1.64 1.71 3hdnA1 LEU 85 HG 0.06 0.23 -0.18 -0.04 1.64 1.70 3hdnA1 LEU 85 HD13 0.01 -0.02 -0.18 -0.04 0.93 0.71 3hdnA1 LEU 85 HD23 0.16 0.00 -0.15 -0.04 0.89 0.86 3hdnA1 GLY 86 H 0.05 0.01 0.10 -0.55 8.43 8.06 3hdnA1 GLY 86 HA2 0.04 0.07 0.31 -0.51 4.01 3.91 3hdnA1 GLY 86 HA3 0.06 0.25 0.77 -0.51 4.01 4.58 3hdnA1 PRO 87 HA 0.05 0.12 0.50 -0.51 4.44 4.59 3hdnA1 PRO 87 HB2 0.05 0.07 -0.01 -0.04 2.28 2.35 3hdnA1 PRO 87 HB3 0.04 0.03 0.12 -0.04 2.02 2.17 3hdnA1 PRO 87 HG2 0.04 0.09 0.11 -0.04 2.03 2.22 3hdnA1 PRO 87 HG3 0.03 0.03 0.11 -0.04 2.03 2.16 3hdnA1 PRO 87 HD2 0.06 0.10 0.25 -0.04 3.68 4.05 3hdnA1 PRO 87 HD3 0.04 0.14 0.29 -0.04 3.65 4.08 3hdnA1 SER 88 H 0.09 0.13 -0.17 -0.55 8.46 7.96 3hdnA1 SER 88 HA 0.12 0.18 0.44 -0.75 4.49 4.46 3hdnA1 SER 88 HB2 0.15 -0.06 -0.10 -0.04 3.95 3.89 3hdnA1 SER 88 HB3 0.10 0.04 -0.02 -0.04 3.93 4.01 3hdnA1 SER 89 H 0.10 0.15 -0.64 -0.55 8.46 7.53 3hdnA1 SER 89 HA 0.15 0.06 0.34 -0.75 4.49 4.28 3hdnA1 SER 89 HB2 0.08 -0.08 -0.01 -0.04 3.95 3.91 3hdnA1 SER 89 HB3 0.07 0.06 0.04 -0.04 3.93 4.05 3hdnA1 ASN 90 H 0.20 0.74 0.42 -0.55 8.53 9.35 3hdnA1 ASN 90 HA 0.06 0.22 0.97 -0.75 4.76 5.26 3hdnA1 ASN 90 HB2 0.18 0.11 0.05 -0.04 2.88 3.18 3hdnA1 ASN 90 HB3 0.25 -0.05 0.17 -0.04 2.79 3.12 3hdnA1 ASN 90 HD21 -0.43 -0.02 -0.01 -0.04 7.03 6.53 3hdnA1 ASN 90 HD22 -0.60 0.08 -0.01 -0.04 7.74 7.17 3hdnA1 PRO 91 HA -0.05 0.11 0.44 -0.51 4.44 4.43 3hdnA1 PRO 91 HB2 -0.34 0.03 0.06 -0.04 2.28 1.99 3hdnA1 PRO 91 HB3 -0.11 0.03 0.10 -0.04 2.02 2.00 3hdnA1 PRO 91 HG2 -0.52 0.01 0.02 -0.04 2.03 1.50 3hdnA1 PRO 91 HG3 -0.11 0.06 0.05 -0.04 2.03 1.99 3hdnA1 PRO 91 HD2 0.03 0.10 0.23 -0.04 3.68 4.00 3hdnA1 PRO 91 HD3 0.00 0.24 -0.00 -0.04 3.65 3.85 3hdnA1 HIS 92 H -0.04 -0.03 -0.47 -0.55 8.41 7.33 3hdnA1 HIS 92 HA -0.06 0.22 0.80 -0.75 4.63 4.83 3hdnA1 HIS 92 HB2 -0.13 -0.02 -0.03 -0.04 3.26 3.05 3hdnA1 HIS 92 HB3 -0.10 -0.01 0.03 -0.04 3.20 3.08 3hdnA1 HIS 92 HD2 -0.06 0.02 0.00 -0.04 6.97 6.89 3hdnA1 HIS 92 HE1 -0.03 0.00 -0.04 -0.04 7.75 7.64 3hdnA1 ALA 93 H -0.07 0.09 -0.08 -0.55 8.40 7.79 3hdnA1 ALA 93 HA -0.28 0.01 0.42 -0.75 4.34 3.74 3hdnA1 ALA 93 HB3 -0.35 0.02 -0.01 -0.04 1.41 1.03 3hdnA1 LYS 94 H -0.41 0.16 0.19 -0.55 8.42 7.81 3hdnA1 LYS 94 HA -0.19 0.24 0.71 -0.75 4.32 4.33 3hdnA1 PRO 95 HA 0.21 0.08 0.39 -0.51 4.44 4.62 3hdnA1 PRO 95 HB2 0.12 0.06 -0.04 -0.04 2.28 2.38 3hdnA1 PRO 95 HB3 0.16 0.05 0.05 -0.04 2.02 2.24 3hdnA1 PRO 95 HG2 0.07 0.03 0.04 -0.04 2.03 2.13 3hdnA1 PRO 95 HG3 -0.59 0.05 -0.02 -0.04 2.03 1.43 3hdnA1 PRO 95 HD2 0.03 0.12 0.17 -0.04 3.68 3.96 3hdnA1 PRO 95 HD3 0.12 0.21 0.10 -0.04 3.65 4.04 3hdnA1 SER 96 H -0.03 0.08 -0.40 -0.55 8.46 7.56 3hdnA1 SER 96 HA -0.04 0.14 0.42 -0.75 4.49 4.26 3hdnA1 SER 96 HB2 -0.03 -0.01 0.06 -0.04 3.95 3.93 3hdnA1 SER 96 HB3 -0.08 0.00 -0.03 -0.04 3.93 3.78 3hdnA1 ASP 97 H -0.17 0.45 -0.44 -0.55 8.40 7.69 3hdnA1 ASP 97 HA -0.42 0.13 0.61 -0.75 4.63 4.20 3hdnA1 ASP 97 HB2 -0.74 0.07 0.04 -0.04 2.71 2.05 3hdnA1 ASP 97 HB3 -0.78 -0.10 0.14 -0.04 2.70 1.92 3hdnA1 PHE 98 H -0.15 0.45 -0.27 -0.55 8.34 7.81 3hdnA1 PHE 98 HA -0.33 0.08 0.92 -0.75 4.62 4.54 3hdnA1 PHE 98 HB2 -0.57 0.09 -0.01 -0.04 3.15 2.62 3hdnA1 PHE 98 HB3 -0.61 -0.02 -0.23 -0.04 3.06 2.17 3hdnA1 PHE 98 HD2 -0.02 0.02 -0.23 -0.04 7.28 7.01 3hdnA1 PHE 98 HE2 0.09 0.00 -0.17 -0.04 7.38 7.27 3hdnA1 PHE 98 HZ 0.37 0.02 -0.14 -0.04 7.32 7.53 3hdnA1 HIS 99 H -0.05 0.70 0.21 -0.55 8.41 8.72 3hdnA1 HIS 99 HA -0.08 0.16 0.89 -0.75 4.63 4.84 3hdnA1 HIS 99 HB2 -0.07 0.15 0.21 -0.04 3.26 3.51 3hdnA1 HIS 99 HB3 -0.01 -0.00 -0.00 -0.04 3.20 3.15 3hdnA1 HIS 99 HD2 0.01 0.02 0.04 -0.04 6.97 7.00 3hdnA1 HIS 99 HE1 -0.06 -0.00 -0.02 -0.04 7.75 7.63 3hdnA1 PHE 100 H 0.13 0.21 0.05 -0.55 8.34 8.17 3hdnA1 PHE 100 HA 0.13 0.12 0.72 -0.75 4.62 4.84 3hdnA1 PHE 100 HB2 0.09 0.01 0.05 -0.04 3.15 3.26 3hdnA1 PHE 100 HB3 0.08 0.01 -0.08 -0.04 3.06 3.03 3hdnA1 PHE 100 HD2 0.09 0.03 -0.09 -0.04 7.28 7.26 3hdnA1 PHE 100 HE2 0.08 0.02 -0.07 -0.04 7.38 7.36 3hdnA1 PHE 100 HZ 0.14 -0.06 -0.06 -0.04 7.32 7.30 3hdnA1 LEU 101 H 0.20 0.67 0.35 -0.55 8.37 9.05 3hdnA1 LEU 101 HA 0.12 0.17 0.82 -0.75 4.35 4.70 3hdnA1 LEU 101 HB2 0.08 -0.03 0.13 -0.04 1.64 1.78 3hdnA1 LEU 101 HB3 0.06 -0.01 -0.02 -0.04 1.64 1.63 3hdnA1 LEU 101 HG 0.10 0.03 -0.14 -0.04 1.64 1.59 3hdnA1 LEU 101 HD13 0.21 0.02 -0.11 -0.04 0.93 1.01 3hdnA1 LEU 101 HD23 0.09 -0.01 -0.06 -0.04 0.89 0.87 3hdnA1 LYS 102 H 0.09 0.20 0.27 -0.55 8.42 8.43 3hdnA1 LYS 102 HA 0.06 0.18 0.73 -0.75 4.32 4.54 3hdnA1 LYS 102 HB2 0.03 0.03 0.11 -0.04 1.87 2.00 3hdnA1 LYS 102 HB3 0.03 0.07 -0.13 -0.04 1.79 1.72 3hdnA1 LYS 102 HG2 0.01 -0.08 -0.04 -0.04 1.46 1.31 3hdnA1 LYS 102 HG3 0.03 -0.02 -0.27 -0.04 1.46 1.16 3hdnA1 LYS 102 HD2 0.02 0.07 -0.04 -0.04 1.69 1.70 3hdnA1 LYS 102 HD3 0.00 0.00 -0.05 -0.04 1.68 1.59 3hdnA1 LYS 102 HE2 -0.03 -0.04 -0.05 -0.04 2.99 2.82 3hdnA1 LYS 102 HE3 0.02 0.00 -0.08 -0.04 2.99 2.90 3hdnA1 VAL 103 H 0.03 0.18 0.15 -0.55 8.24 8.05 3hdnA1 VAL 103 HA 0.04 0.04 0.76 -0.75 4.13 4.22 3hdnA1 VAL 103 HB 0.02 0.03 0.10 -0.04 2.12 2.23 3hdnA1 VAL 103 HG13 0.01 0.00 -0.11 -0.04 0.97 0.83 3hdnA1 VAL 103 HG23 0.01 0.01 0.00 -0.04 0.95 0.93 3hdnA1 ILE 104 H 0.06 0.41 0.43 -0.55 8.25 8.60 3hdnA1 ILE 104 HA 0.06 0.13 0.65 -0.75 4.18 4.26 3hdnA1 ILE 104 HB 0.10 -0.01 -0.25 -0.04 1.89 1.68 3hdnA1 ILE 104 HG12 0.15 0.06 -0.07 -0.04 1.49 1.58 3hdnA1 ILE 104 HG13 0.09 -0.11 -0.13 -0.04 1.21 1.02 3hdnA1 ILE 104 HG23 0.10 0.01 -0.20 -0.04 0.93 0.80 3hdnA1 ILE 104 HD13 0.22 0.01 -0.20 -0.04 0.88 0.87 3hdnA1 GLY 105 H 0.05 0.37 0.20 -0.55 8.43 8.51 3hdnA1 GLY 105 HA2 0.02 0.07 0.51 -0.51 4.01 4.11 3hdnA1 GLY 105 HA3 0.03 0.08 0.26 -0.51 4.01 3.88 3hdnA1 LYS 106 H 0.01 0.20 0.15 -0.55 8.42 8.22 3hdnA1 LYS 106 HA 0.00 0.07 0.98 -0.75 4.32 4.61 3hdnA1 LYS 106 HB2 -0.01 -0.01 0.20 -0.04 1.87 2.01 3hdnA1 LYS 106 HB3 -0.02 0.14 0.06 -0.04 1.79 1.93 3hdnA1 LYS 106 HG2 -0.01 -0.01 0.02 -0.04 1.46 1.43 3hdnA1 LYS 106 HG3 -0.00 -0.09 -0.01 -0.04 1.46 1.32 3hdnA1 LYS 106 HD2 -0.01 0.01 0.03 -0.04 1.69 1.68 3hdnA1 LYS 106 HD3 -0.01 0.04 0.01 -0.04 1.68 1.67 3hdnA1 LYS 106 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3hdnA1 LYS 106 HE3 -0.00 -0.03 -0.02 -0.04 2.99 2.90 3hdnA1 GLY 107 H -0.01 0.43 0.23 -0.55 8.43 8.54 3hdnA1 GLY 107 HA2 -0.06 0.20 0.78 -0.51 4.01 4.42 3hdnA1 GLY 107 HA3 -0.04 -0.07 0.31 -0.51 4.01 3.70 3hdnA1 SER 108 H -0.29 0.12 0.12 -0.55 8.46 7.85 3hdnA1 SER 108 HA -0.31 0.18 0.58 -0.75 4.49 4.18 3hdnA1 SER 108 HB2 -1.40 -0.03 0.06 -0.04 3.95 2.53 3hdnA1 SER 108 HB3 -1.19 0.06 0.00 -0.04 3.93 2.76 3hdnA1 PHE 109 H -0.22 0.01 -0.17 -0.55 8.34 7.41 3hdnA1 PHE 109 HA -0.10 0.27 0.74 -0.75 4.62 4.78 3hdnA1 PHE 109 HB2 -0.13 -0.04 0.05 -0.04 3.15 2.99 3hdnA1 PHE 109 HB3 -0.12 0.04 0.05 -0.04 3.06 2.99 3hdnA1 PHE 109 HD2 -0.20 0.02 -0.08 -0.04 7.28 6.98 3hdnA1 PHE 109 HE2 -0.30 0.09 -0.01 -0.04 7.38 7.12 3hdnA1 PHE 109 HZ -0.23 0.02 -0.03 -0.04 7.32 7.04 3hdnA1 GLY 110 H -0.03 0.27 -0.38 -0.55 8.43 7.75 3hdnA1 GLY 110 HA2 0.00 -0.01 0.31 -0.51 4.01 3.81 3hdnA1 GLY 110 HA3 0.04 0.30 0.91 -0.51 4.01 4.76 3hdnA1 LYS 111 H -0.01 0.58 0.36 -0.55 8.42 8.80 3hdnA1 LYS 111 HA 0.01 0.14 1.08 -0.75 4.32 4.79 3hdnA1 LYS 111 HB2 -0.01 0.01 -0.01 -0.04 1.87 1.81 3hdnA1 LYS 111 HB3 -0.02 0.02 -0.01 -0.04 1.79 1.74 3hdnA1 LYS 111 HG2 -0.05 0.07 0.17 -0.04 1.46 1.60 3hdnA1 LYS 111 HG3 -0.06 -0.03 0.00 -0.04 1.46 1.33 3hdnA1 LYS 111 HD2 -0.05 0.00 -0.06 -0.04 1.69 1.54 3hdnA1 LYS 111 HD3 -0.04 0.01 -0.03 -0.04 1.68 1.58 3hdnA1 LYS 111 HE2 -0.09 -0.01 -0.04 -0.04 2.99 2.81 3hdnA1 LYS 111 HE3 -0.12 -0.01 -0.05 -0.04 2.99 2.77 3hdnA1 VAL 112 H 0.03 0.56 0.28 -0.55 8.24 8.57 3hdnA1 VAL 112 HA 0.06 0.26 0.98 -0.75 4.13 4.67 3hdnA1 VAL 112 HB 0.07 -0.03 0.17 -0.04 2.12 2.29 3hdnA1 VAL 112 HG13 0.10 -0.01 -0.22 -0.04 0.97 0.81 3hdnA1 VAL 112 HG23 0.09 0.01 -0.13 -0.04 0.95 0.88 3hdnA1 LEU 113 H 0.09 0.65 0.29 -0.55 8.37 8.85 3hdnA1 LEU 113 HA 0.09 -0.06 1.15 -0.75 4.35 4.77 3hdnA1 LEU 113 HB2 0.21 0.01 0.01 -0.04 1.64 1.82 3hdnA1 LEU 113 HB3 0.15 0.09 -0.01 -0.04 1.64 1.82 3hdnA1 LEU 113 HG 0.00 -0.03 -0.37 -0.04 1.64 1.20 3hdnA1 LEU 113 HD13 -0.21 0.00 -0.10 -0.04 0.93 0.59 3hdnA1 LEU 113 HD23 -0.01 0.00 -0.14 -0.04 0.89 0.70 3hdnA1 LEU 114 H 0.10 0.62 0.34 -0.55 8.37 8.88 3hdnA1 LEU 114 HA 0.06 0.15 0.84 -0.75 4.35 4.65 3hdnA1 LEU 114 HB2 -0.02 0.02 0.07 -0.04 1.64 1.67 3hdnA1 LEU 114 HB3 0.03 -0.12 0.25 -0.04 1.64 1.76 3hdnA1 LEU 114 HG -0.00 -0.01 -0.23 -0.04 1.64 1.36 3hdnA1 LEU 114 HD13 -0.63 0.02 -0.06 -0.04 0.93 0.22 3hdnA1 LEU 114 HD23 -0.18 -0.00 -0.04 -0.04 0.89 0.62 3hdnA1 ALA 115 H 0.13 0.72 0.44 -0.55 8.40 9.14 3hdnA1 ALA 115 HA 0.12 0.25 1.00 -0.75 4.34 4.96 3hdnA1 ALA 115 HB3 0.02 -0.02 -0.17 -0.04 1.41 1.20 3hdnA1 ARG 116 H 0.10 0.77 0.28 -0.55 8.46 9.05 3hdnA1 ARG 116 HA -0.06 0.25 0.95 -0.75 4.34 4.73 3hdnA1 ARG 116 HB2 -0.19 -0.04 -0.10 -0.04 1.90 1.53 3hdnA1 ARG 116 HB3 -0.01 0.02 0.10 -0.04 1.80 1.86 3hdnA1 ARG 116 HG2 -0.19 0.09 -0.40 -0.04 1.67 1.13 3hdnA1 ARG 116 HG3 -0.74 -0.02 -0.34 -0.04 1.67 0.53 3hdnA1 ARG 116 HD2 -0.46 -0.02 -0.13 -0.04 3.22 2.58 3hdnA1 ARG 116 HD3 -0.12 -0.03 -0.10 -0.04 3.22 2.93 3hdnA1 HIS 117 H 0.18 0.52 0.20 -0.55 8.41 8.77 3hdnA1 HIS 117 HA -0.24 0.10 0.55 -0.75 4.63 4.29 3hdnA1 HIS 117 HB2 0.25 0.09 0.10 -0.04 3.26 3.66 3hdnA1 HIS 117 HB3 0.00 -0.17 0.13 -0.04 3.20 3.12 3hdnA1 HIS 117 HD2 -0.90 0.01 -0.07 -0.04 6.97 5.97 3hdnA1 HIS 117 HE1 -0.22 0.05 0.04 -0.04 7.75 7.57 3hdnA1 LYS 118 H -0.57 0.63 0.39 -0.55 8.42 8.32 3hdnA1 LYS 118 HA -0.02 0.07 0.33 -0.75 4.32 3.95 3hdnA1 LYS 118 HB2 -0.38 -0.02 0.17 -0.04 1.87 1.59 3hdnA1 LYS 118 HB3 -0.16 -0.00 -0.01 -0.04 1.79 1.58 3hdnA1 LYS 118 HG2 -0.40 -0.02 -0.06 -0.04 1.46 0.94 3hdnA1 LYS 118 HG3 -0.47 0.00 -0.32 -0.04 1.46 0.63 3hdnA1 LYS 118 HD2 -0.33 0.10 0.00 -0.04 1.69 1.42 3hdnA1 LYS 118 HD3 -0.24 -0.06 -0.03 -0.04 1.68 1.32 3hdnA1 LYS 118 HE2 -0.31 -0.04 -0.02 -0.04 2.99 2.57 3hdnA1 LYS 118 HE3 -1.14 -0.07 -0.11 -0.04 2.99 1.63 3hdnA1 ALA 119 H -0.24 0.04 -0.07 -0.55 8.40 7.58 3hdnA1 ALA 119 HA -0.03 0.16 0.51 -0.75 4.34 4.23 3hdnA1 ALA 119 HB3 0.04 -0.01 0.07 -0.04 1.41 1.46 3hdnA1 GLU 120 H 0.49 -0.01 -0.04 -0.55 8.60 8.49 3hdnA1 GLU 120 HA -0.00 0.10 0.26 -0.75 4.29 3.89 3hdnA1 GLU 120 HB2 -0.19 -0.04 0.09 -0.04 2.09 1.90 3hdnA1 GLU 120 HB3 0.01 -0.07 -0.00 -0.04 1.99 1.88 3hdnA1 GLU 120 HG2 -0.02 0.04 0.01 -0.04 2.34 2.33 3hdnA1 GLU 120 HG3 -0.03 0.02 0.03 -0.04 2.34 2.32 3hdnA1 GLU 121 H 0.02 0.31 -0.50 -0.55 8.60 7.88 3hdnA1 GLU 121 HA -0.12 0.12 0.20 -0.75 4.29 3.74 3hdnA1 VAL 122 H -0.10 -0.00 -0.15 -0.55 8.24 7.44 3hdnA1 VAL 122 HA -0.31 0.24 0.90 -0.75 4.13 4.20 3hdnA1 VAL 122 HB -0.25 -0.00 0.07 -0.04 2.12 1.90 3hdnA1 VAL 122 HG13 -0.07 0.05 -0.11 -0.04 0.97 0.80 3hdnA1 VAL 122 HG23 -0.21 -0.03 -0.15 -0.04 0.95 0.52 3hdnA1 PHE 123 H -0.06 0.17 0.17 -0.55 8.34 8.07 3hdnA1 PHE 123 HA -0.08 0.21 0.86 -0.75 4.62 4.86 3hdnA1 PHE 123 HB2 -0.10 -0.02 0.14 -0.04 3.15 3.13 3hdnA1 PHE 123 HB3 -0.28 0.01 -0.01 -0.04 3.06 2.74 3hdnA1 PHE 123 HD2 -0.08 0.00 -0.08 -0.04 7.28 7.09 3hdnA1 PHE 123 HE2 -0.04 0.02 -0.07 -0.04 7.38 7.26 3hdnA1 PHE 123 HZ -0.03 0.02 -0.06 -0.04 7.32 7.20 3hdnA1 TYR 124 H 0.20 0.95 0.50 -0.55 8.29 9.39 3hdnA1 TYR 124 HA 0.13 0.11 0.97 -0.75 4.56 5.02 3hdnA1 TYR 124 HB2 0.10 -0.06 0.01 -0.04 3.06 3.07 3hdnA1 TYR 124 HB3 -0.00 0.06 -0.05 -0.04 2.98 2.95 3hdnA1 TYR 124 HD2 0.06 0.10 -0.06 -0.04 7.15 7.20 3hdnA1 TYR 124 HE2 -0.68 -0.04 -0.10 -0.04 6.85 5.99 3hdnA1 ALA 125 H 0.29 0.34 -0.07 -0.55 8.40 8.42 3hdnA1 ALA 125 HA 0.18 0.17 0.88 -0.75 4.34 4.82 3hdnA1 ALA 125 HB3 0.23 0.00 -0.01 -0.04 1.41 1.59 3hdnA1 VAL 126 H 0.11 0.72 0.30 -0.55 8.24 8.82 3hdnA1 VAL 126 HA -0.03 0.30 1.01 -0.75 4.13 4.65 3hdnA1 VAL 126 HB 0.14 -0.01 0.07 -0.04 2.12 2.28 3hdnA1 VAL 126 HG13 0.02 -0.01 -0.30 -0.04 0.97 0.63 3hdnA1 VAL 126 HG23 -0.27 0.01 -0.23 -0.04 0.95 0.42 3hdnA1 LYS 127 H 0.02 0.61 0.31 -0.55 8.42 8.81 3hdnA1 LYS 127 HA 0.07 0.22 0.97 -0.75 4.32 4.82 3hdnA1 LYS 127 HB2 0.12 -0.02 0.03 -0.04 1.87 1.96 3hdnA1 LYS 127 HB3 0.22 -0.02 0.16 -0.04 1.79 2.10 3hdnA1 LYS 127 HG2 0.21 0.04 -0.31 -0.04 1.46 1.37 3hdnA1 LYS 127 HG3 0.13 -0.01 -0.25 -0.04 1.46 1.29 3hdnA1 LYS 127 HD2 0.25 -0.02 -0.12 -0.04 1.69 1.76 3hdnA1 LYS 127 HD3 0.43 -0.03 -0.09 -0.04 1.68 1.95 3hdnA1 LYS 127 HE2 0.07 -0.08 -0.11 -0.04 2.99 2.83 3hdnA1 LYS 127 HE3 0.13 0.21 -0.14 -0.04 2.99 3.14 3hdnA1 VAL 128 H -0.02 0.76 0.43 -0.55 8.24 8.86 3hdnA1 VAL 128 HA -0.33 0.36 1.13 -0.75 4.13 4.54 3hdnA1 VAL 128 HB -0.19 -0.07 0.13 -0.04 2.12 1.95 3hdnA1 VAL 128 HG13 -0.72 -0.01 -0.09 -0.04 0.97 0.10 3hdnA1 VAL 128 HG23 -0.16 0.02 -0.13 -0.04 0.95 0.64 3hdnA1 LEU 129 H -0.18 0.65 0.33 -0.55 8.37 8.62 3hdnA1 LEU 129 HA -0.01 0.06 0.89 -0.75 4.35 4.53 3hdnA1 LEU 129 HB2 0.14 0.19 -0.08 -0.04 1.64 1.85 3hdnA1 LEU 129 HB3 0.21 -0.04 0.02 -0.04 1.64 1.78 3hdnA1 LEU 129 HG 0.07 0.06 -0.28 -0.04 1.64 1.44 3hdnA1 LEU 129 HD13 0.07 -0.03 -0.17 -0.04 0.93 0.76 3hdnA1 LEU 129 HD23 0.11 0.02 -0.11 -0.04 0.89 0.86 3hdnA1 GLN 130 H -0.02 0.16 0.14 -0.55 8.47 8.20 3hdnA1 GLN 130 HA -0.06 0.10 0.71 -0.75 4.36 4.36 3hdnA1 GLN 130 HB2 -0.01 0.03 0.15 -0.04 2.15 2.28 3hdnA1 GLN 130 HB3 -0.02 -0.03 0.10 -0.04 2.02 2.03 3hdnA1 GLN 130 HG2 -0.05 0.01 -0.01 -0.04 2.40 2.30 3hdnA1 GLN 130 HG3 -0.05 -0.02 0.02 -0.04 2.39 2.30 3hdnA1 GLN 130 HE21 -0.01 0.03 -0.01 -0.04 6.97 6.94 3hdnA1 GLN 130 HE22 -0.01 0.00 0.02 -0.04 7.69 7.66 3hdnA1 LYS 131 H -0.02 0.78 0.39 -0.55 8.42 9.01 3hdnA1 LYS 131 HA 0.01 0.08 0.38 -0.75 4.32 4.04 3hdnA1 LYS 132 H 0.00 0.05 -0.20 -0.55 8.42 7.71 3hdnA1 LYS 132 HA 0.01 0.20 0.63 -0.75 4.32 4.41 3hdnA1 ALA 133 H 0.02 0.30 -0.42 -0.55 8.40 7.75 3hdnA1 ALA 133 HA 0.03 0.15 0.68 -0.75 4.34 4.44 3hdnA1 ALA 133 HB3 0.04 0.04 0.10 -0.04 1.41 1.55 3hdnA1 ILE 134 H 0.02 0.22 -0.28 -0.55 8.25 7.67 3hdnA1 ILE 134 HA 0.04 0.19 0.88 -0.75 4.18 4.53 3hdnA1 ILE 134 HB 0.02 0.06 0.06 -0.04 1.89 1.99 3hdnA1 ILE 134 HG12 0.04 0.01 -0.09 -0.04 1.49 1.40 3hdnA1 ILE 134 HG13 0.03 -0.10 -0.05 -0.04 1.21 1.05 3hdnA1 ILE 134 HG23 0.01 -0.00 0.01 -0.04 0.93 0.91 3hdnA1 ILE 134 HD13 0.03 0.01 -0.04 -0.04 0.88 0.84 3hdnA1 LEU 135 H 0.02 0.46 0.14 -0.55 8.37 8.45 3hdnA1 LEU 135 HA 0.01 0.23 0.72 -0.75 4.35 4.55 3hdnA1 LEU 135 HB2 0.01 -0.02 0.03 -0.04 1.64 1.62 3hdnA1 LEU 135 HB3 0.01 0.01 -0.11 -0.04 1.64 1.51 3hdnA1 LEU 135 HG 0.01 0.04 0.02 -0.04 1.64 1.68 3hdnA1 LEU 135 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.85 3hdnA1 LEU 135 HD23 0.03 0.02 -0.28 -0.04 0.89 0.62 3hdnA1 VAL 149 HA -0.00 -0.03 0.10 -0.75 4.13 3.44 3hdnA1 LEU 150 H 0.01 0.14 0.12 -0.55 8.37 8.09 3hdnA1 LEU 150 HA -0.04 0.17 0.91 -0.75 4.35 4.64 3hdnA1 LEU 150 HB2 0.00 0.03 0.05 -0.04 1.64 1.68 3hdnA1 LEU 150 HB3 0.03 0.08 0.14 -0.04 1.64 1.85 3hdnA1 LEU 150 HG -0.03 -0.10 -0.14 -0.04 1.64 1.33 3hdnA1 LEU 150 HD13 -0.04 0.00 0.04 -0.04 0.93 0.90 3hdnA1 LEU 150 HD23 0.05 -0.00 -0.08 -0.04 0.89 0.82 3hdnA1 LEU 151 H 0.02 0.14 0.12 -0.55 8.37 8.10 3hdnA1 LEU 151 HA -0.08 0.22 0.92 -0.75 4.35 4.66 3hdnA1 LEU 151 HB2 0.08 -0.06 -0.05 -0.04 1.64 1.57 3hdnA1 LEU 151 HB3 0.10 0.17 0.14 -0.04 1.64 2.00 3hdnA1 LEU 151 HG 0.08 -0.05 -0.26 -0.04 1.64 1.37 3hdnA1 LEU 151 HD13 -0.02 -0.00 -0.34 -0.04 0.93 0.53 3hdnA1 LEU 151 HD23 0.30 0.04 -0.06 -0.04 0.89 1.13 3hdnA1 LYS 152 H -0.08 0.56 0.06 -0.55 8.42 8.41 3hdnA1 LYS 152 HA 0.00 0.10 0.77 -0.75 4.32 4.44 3hdnA1 LYS 152 HB2 -0.04 0.00 -0.22 -0.04 1.87 1.58 3hdnA1 LYS 152 HB3 -0.06 -0.01 0.12 -0.04 1.79 1.80 3hdnA1 LYS 152 HG2 -0.02 0.01 -0.12 -0.04 1.46 1.29 3hdnA1 LYS 152 HG3 -0.01 -0.00 0.01 -0.04 1.46 1.42 3hdnA1 LYS 152 HD2 -0.02 -0.01 -0.04 -0.04 1.69 1.58 3hdnA1 LYS 152 HD3 -0.03 -0.01 -0.07 -0.04 1.68 1.53 3hdnA1 LYS 152 HE2 -0.05 -0.03 -0.05 -0.04 2.99 2.81 3hdnA1 LYS 152 HE3 -0.04 0.01 -0.06 -0.04 2.99 2.86 3hdnA1 ASN 153 H 0.04 0.08 0.01 -0.55 8.53 8.12 3hdnA1 ASN 153 HA 0.05 0.47 0.65 -0.75 4.76 5.18 3hdnA1 ASN 153 HB2 0.12 -0.03 0.07 -0.04 2.88 2.99 3hdnA1 ASN 153 HB3 0.07 -0.07 0.11 -0.04 2.79 2.85 3hdnA1 ASN 153 HD21 0.08 -0.03 0.03 -0.04 7.03 7.07 3hdnA1 ASN 153 HD22 0.15 0.24 0.19 -0.04 7.74 8.28 3hdnA1 VAL 154 H 0.06 0.27 0.18 -0.55 8.24 8.20 3hdnA1 VAL 154 HA 0.08 0.13 0.91 -0.75 4.13 4.50 3hdnA1 VAL 154 HB 0.07 -0.04 0.02 -0.04 2.12 2.13 3hdnA1 VAL 154 HG13 0.22 0.00 -0.15 -0.04 0.97 1.00 3hdnA1 VAL 154 HG23 0.01 0.05 -0.19 -0.04 0.95 0.78 3hdnA1 LYS 155 H 0.10 0.15 0.12 -0.55 8.42 8.24 3hdnA1 LYS 155 HA 0.05 0.17 0.75 -0.75 4.32 4.54 3hdnA1 LYS 155 HB2 0.03 -0.01 0.11 -0.04 1.87 1.96 3hdnA1 LYS 155 HB3 -0.01 0.01 -0.03 -0.04 1.79 1.72 3hdnA1 LYS 155 HG2 0.01 0.02 -0.03 -0.04 1.46 1.42 3hdnA1 LYS 155 HG3 0.04 -0.02 -0.11 -0.04 1.46 1.33 3hdnA1 LYS 155 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.65 3hdnA1 LYS 155 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.60 3hdnA1 LYS 155 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 3hdnA1 LYS 155 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.93 3hdnA1 HIS 156 H 0.04 0.39 0.19 -0.55 8.41 8.48 3hdnA1 HIS 156 HA -0.24 0.15 0.55 -0.75 4.63 4.34 3hdnA1 HIS 156 HB2 -0.06 0.15 -0.33 -0.04 3.26 2.97 3hdnA1 HIS 156 HB3 -0.01 -0.10 -0.01 -0.04 3.20 3.03 3hdnA1 HIS 156 HD2 -1.20 0.06 0.04 -0.04 6.97 5.82 3hdnA1 HIS 156 HE1 0.24 0.02 -0.07 -0.04 7.75 7.89 3hdnA1 PRO 157 HA -0.25 0.07 0.48 -0.51 4.44 4.23 3hdnA1 PRO 157 HB2 -1.24 0.00 0.07 -0.04 2.28 1.08 3hdnA1 PRO 157 HB3 -0.56 0.08 0.18 -0.04 2.02 1.69 3hdnA1 PRO 157 HG2 -0.58 0.10 0.14 -0.04 2.03 1.64 3hdnA1 PRO 157 HG3 -0.39 0.03 0.11 -0.04 2.03 1.73 3hdnA1 PRO 157 HD2 -1.53 0.07 0.22 -0.04 3.68 2.40 3hdnA1 PRO 157 HD3 -0.57 0.13 0.16 -0.04 3.65 3.33 3hdnA1 PHE 158 H 0.34 -0.06 -0.56 -0.55 8.34 7.51 3hdnA1 PHE 158 HA 0.11 0.41 0.97 -0.75 4.62 5.36 3hdnA1 PHE 158 HB2 0.16 -0.08 0.02 -0.04 3.15 3.21 3hdnA1 PHE 158 HB3 0.11 -0.05 0.07 -0.04 3.06 3.14 3hdnA1 PHE 158 HD2 0.20 0.15 0.03 -0.04 7.28 7.62 3hdnA1 PHE 158 HE2 0.05 -0.06 -0.04 -0.04 7.38 7.29 3hdnA1 PHE 158 HZ -0.04 0.24 -0.07 -0.04 7.32 7.41 3hdnA1 LEU 159 H 0.18 0.49 0.00 -0.55 8.37 8.50 3hdnA1 LEU 159 HA 0.17 0.08 1.00 -0.75 4.35 4.84 3hdnA1 LEU 159 HB2 0.14 -0.05 0.13 -0.04 1.64 1.82 3hdnA1 LEU 159 HB3 0.13 0.22 0.11 -0.04 1.64 2.05 3hdnA1 LEU 159 HG 0.07 -0.17 -0.19 -0.04 1.64 1.31 3hdnA1 LEU 159 HD13 0.10 0.01 -0.13 -0.04 0.93 0.86 3hdnA1 LEU 159 HD23 0.17 0.03 0.02 -0.04 0.89 1.07 3hdnA1 VAL 160 H 0.15 0.67 0.21 -0.55 8.24 8.71 3hdnA1 VAL 160 HA 0.10 -0.05 0.37 -0.75 4.13 3.81 3hdnA1 VAL 160 HB 0.13 0.05 -0.05 -0.04 2.12 2.21 3hdnA1 VAL 160 HG13 0.16 0.01 -0.15 -0.04 0.97 0.95 3hdnA1 VAL 160 HG23 0.10 -0.04 0.01 -0.04 0.95 0.98 3hdnA1 GLY 161 H 0.06 0.03 0.19 -0.55 8.43 8.17 3hdnA1 GLY 161 HA2 -0.00 0.14 0.54 -0.51 4.01 4.18 3hdnA1 GLY 161 HA3 -0.05 0.00 0.32 -0.51 4.01 3.77 3hdnA1 LEU 162 H -0.01 0.22 0.16 -0.55 8.37 8.19 3hdnA1 LEU 162 HA -0.07 0.15 0.80 -0.75 4.35 4.48 3hdnA1 LEU 162 HB2 -0.07 0.00 0.03 -0.04 1.64 1.56 3hdnA1 LEU 162 HB3 0.03 -0.01 0.12 -0.04 1.64 1.74 3hdnA1 LEU 162 HG 0.05 0.01 -0.40 -0.04 1.64 1.26 3hdnA1 LEU 162 HD13 -0.11 0.05 -0.13 -0.04 0.93 0.70 3hdnA1 LEU 162 HD23 0.14 -0.02 -0.12 -0.04 0.89 0.86 3hdnA1 HIS 163 H 0.09 0.48 0.25 -0.55 8.41 8.69 3hdnA1 HIS 163 HA 0.08 0.08 0.53 -0.75 4.63 4.56 3hdnA1 HIS 163 HB2 -0.28 -0.02 0.09 -0.04 3.26 3.01 3hdnA1 HIS 163 HB3 0.14 -0.03 -0.04 -0.04 3.20 3.23 3hdnA1 HIS 163 HD2 0.06 0.05 -0.22 -0.04 6.97 6.82 3hdnA1 HIS 163 HE1 0.23 -0.01 -0.05 -0.04 7.75 7.88 3hdnA1 PHE 164 H -0.20 0.24 0.22 -0.55 8.34 8.04 3hdnA1 PHE 164 HA 0.09 0.23 0.40 -0.75 4.62 4.59 3hdnA1 PHE 164 HB2 0.11 0.09 0.14 -0.04 3.15 3.45 3hdnA1 PHE 164 HB3 0.08 0.15 0.02 -0.04 3.06 3.27 3hdnA1 PHE 164 HD2 0.17 0.05 -0.31 -0.04 7.28 7.15 3hdnA1 PHE 164 HE2 0.01 -0.03 -0.13 -0.04 7.38 7.19 3hdnA1 PHE 164 HZ 0.28 -0.04 -0.10 -0.04 7.32 7.42 3hdnA1 SER 165 H 0.32 0.60 0.13 -0.55 8.46 8.97 3hdnA1 SER 165 HA -0.01 0.14 0.91 -0.75 4.49 4.78 3hdnA1 SER 165 HB2 -0.06 0.09 0.07 -0.04 3.95 4.02 3hdnA1 SER 165 HB3 0.22 -0.01 -0.08 -0.04 3.93 4.01 3hdnA1 PHE 166 H -0.33 0.50 0.32 -0.55 8.34 8.28 3hdnA1 PHE 166 HA 0.05 0.11 0.67 -0.75 4.62 4.70 3hdnA1 PHE 166 HB2 0.06 0.20 0.15 -0.04 3.15 3.51 3hdnA1 PHE 166 HB3 0.16 0.05 -0.01 -0.04 3.06 3.22 3hdnA1 PHE 166 HD2 0.15 0.04 -0.34 -0.04 7.28 7.10 3hdnA1 PHE 166 HE2 -0.31 -0.04 -0.28 -0.04 7.38 6.71 3hdnA1 PHE 166 HZ -0.24 -0.01 -0.30 -0.04 7.32 6.73 3hdnA1 GLN 167 H 0.21 0.32 0.23 -0.55 8.47 8.67 3hdnA1 GLN 167 HA 0.08 0.11 1.11 -0.75 4.36 4.90 3hdnA1 GLN 167 HB2 0.03 0.19 0.10 -0.04 2.15 2.42 3hdnA1 GLN 167 HB3 -0.02 -0.05 -0.05 -0.04 2.02 1.86 3hdnA1 GLN 167 HG2 0.06 -0.09 0.06 -0.04 2.40 2.40 3hdnA1 GLN 167 HG3 0.06 0.05 0.01 -0.04 2.39 2.46 3hdnA1 GLN 167 HE21 0.03 0.25 0.10 -0.04 6.97 7.31 3hdnA1 GLN 167 HE22 0.04 -0.06 0.01 -0.04 7.69 7.64 3hdnA1 THR 168 H 0.17 0.47 0.30 -0.55 8.28 8.67 3hdnA1 THR 168 HA 0.11 0.25 0.88 -0.75 4.39 4.88 3hdnA1 THR 168 HB 0.11 -0.17 0.29 -0.04 4.32 4.52 3hdnA1 THR 168 HG23 0.18 0.03 0.03 -0.04 1.22 1.41 3hdnA1 ALA 169 H 0.06 0.12 0.18 -0.55 8.40 8.22 3hdnA1 ALA 169 HA 0.03 0.22 0.55 -0.75 4.34 4.38 3hdnA1 ALA 169 HB3 0.03 0.01 0.11 -0.04 1.41 1.53 3hdnA1 ASP 170 H 0.05 -0.15 -0.12 -0.55 8.40 7.64 3hdnA1 ASP 170 HA 0.01 0.28 0.95 -0.75 4.63 5.12 3hdnA1 ASP 170 HB2 0.03 -0.03 0.03 -0.04 2.71 2.69 3hdnA1 ASP 170 HB3 0.01 -0.01 0.05 -0.04 2.70 2.71 3hdnA1 LYS 171 H 0.05 -0.06 0.07 -0.55 8.42 7.93 3hdnA1 LYS 171 HA -0.10 0.17 1.06 -0.75 4.32 4.71 3hdnA1 LYS 171 HB2 -0.01 -0.07 0.00 -0.04 1.87 1.75 3hdnA1 LYS 171 HB3 -0.45 0.13 -0.05 -0.04 1.79 1.37 3hdnA1 LYS 171 HG2 -0.12 0.04 -0.17 -0.04 1.46 1.18 3hdnA1 LYS 171 HG3 -0.03 -0.13 -0.37 -0.04 1.46 0.90 3hdnA1 LYS 171 HD2 0.06 -0.04 -0.06 -0.04 1.69 1.61 3hdnA1 LYS 171 HD3 -0.14 0.04 -0.09 -0.04 1.68 1.45 3hdnA1 LYS 171 HE2 -0.05 0.02 -0.08 -0.04 2.99 2.85 3hdnA1 LYS 171 HE3 -0.00 -0.03 -0.07 -0.04 2.99 2.85 3hdnA1 LEU 172 H -0.22 0.87 0.40 -0.55 8.37 8.86 3hdnA1 LEU 172 HA -0.22 0.17 1.05 -0.75 4.35 4.60 3hdnA1 LEU 172 HB2 -0.14 -0.02 0.12 -0.04 1.64 1.57 3hdnA1 LEU 172 HB3 -0.48 0.04 0.02 -0.04 1.64 1.17 3hdnA1 LEU 172 HG -0.04 -0.06 -0.18 -0.04 1.64 1.32 3hdnA1 LEU 172 HD13 0.12 0.00 -0.13 -0.04 0.93 0.89 3hdnA1 LEU 172 HD23 -0.04 0.01 -0.08 -0.04 0.89 0.75 3hdnA1 TYR 173 H -0.54 0.73 0.39 -0.55 8.29 8.32 3hdnA1 TYR 173 HA -0.47 0.26 1.03 -0.75 4.56 4.63 3hdnA1 TYR 173 HB2 -1.96 0.03 0.04 -0.04 3.06 1.12 3hdnA1 TYR 173 HB3 -0.92 -0.03 -0.11 -0.04 2.98 1.87 3hdnA1 TYR 173 HD2 -0.26 0.06 -0.22 -0.04 7.15 6.69 3hdnA1 TYR 173 HE2 0.03 -0.04 -0.12 -0.04 6.85 6.68 3hdnA1 PHE 174 H -0.13 0.53 0.21 -0.55 8.34 8.40 3hdnA1 PHE 174 HA -0.20 0.17 1.02 -0.75 4.62 4.86 3hdnA1 PHE 174 HB2 -0.22 -0.05 0.18 -0.04 3.15 3.02 3hdnA1 PHE 174 HB3 -0.46 0.03 -0.01 -0.04 3.06 2.57 3hdnA1 PHE 174 HD2 0.02 0.07 -0.11 -0.04 7.28 7.22 3hdnA1 PHE 174 HE2 0.04 0.01 -0.14 -0.04 7.38 7.24 3hdnA1 PHE 174 HZ 0.02 0.02 -0.14 -0.04 7.32 7.17 3hdnA1 VAL 175 H -0.28 0.53 0.24 -0.55 8.24 8.18 3hdnA1 VAL 175 HA -0.24 0.06 0.62 -0.75 4.13 3.82 3hdnA1 VAL 175 HB -0.97 -0.03 0.22 -0.04 2.12 1.30 3hdnA1 VAL 175 HG13 -0.78 -0.01 -0.14 -0.04 0.97 0.00 3hdnA1 VAL 175 HG23 -0.51 -0.01 -0.12 -0.04 0.95 0.27 3hdnA1 LEU 176 H -0.02 0.62 0.38 -0.55 8.37 8.80 3hdnA1 LEU 176 HA 0.07 0.24 1.02 -0.75 4.35 4.92 3hdnA1 LEU 176 HB2 0.04 0.03 0.06 -0.04 1.64 1.74 3hdnA1 LEU 176 HB3 0.00 -0.04 0.06 -0.04 1.64 1.62 3hdnA1 LEU 176 HG -0.23 0.13 -0.12 -0.04 1.64 1.38 3hdnA1 LEU 176 HD13 -0.10 -0.02 -0.05 -0.04 0.93 0.71 3hdnA1 LEU 176 HD23 -0.84 0.01 -0.26 -0.04 0.89 -0.24 3hdnA1 ASP 177 H 0.20 0.31 0.22 -0.55 8.40 8.58 3hdnA1 ASP 177 HA 0.38 0.07 0.65 -0.75 4.63 4.98 3hdnA1 ASP 177 HB2 0.15 -0.08 0.16 -0.04 2.71 2.90 3hdnA1 ASP 177 HB3 0.16 0.02 -0.08 -0.04 2.70 2.76 3hdnA1 TYR 178 H 0.26 0.28 0.22 -0.55 8.29 8.50 3hdnA1 TYR 178 HA 0.10 0.10 0.74 -0.75 4.56 4.75 3hdnA1 TYR 178 HB2 0.11 -0.09 -0.21 -0.04 3.06 2.82 3hdnA1 TYR 178 HB3 0.07 0.11 0.09 -0.04 2.98 3.20 3hdnA1 TYR 178 HD2 0.04 -0.01 -0.09 -0.04 7.15 7.05 3hdnA1 TYR 178 HE2 -0.04 0.01 -0.10 -0.04 6.85 6.68 3hdnA1 ILE 179 H -0.08 0.27 0.02 -0.55 8.25 7.91 3hdnA1 ILE 179 HA -0.10 0.01 0.62 -0.75 4.18 3.95 3hdnA1 ILE 179 HB -0.03 0.02 0.05 -0.04 1.89 1.89 3hdnA1 ILE 179 HG12 0.06 0.14 -0.12 -0.04 1.49 1.52 3hdnA1 ILE 179 HG13 0.07 0.04 -0.14 -0.04 1.21 1.14 3hdnA1 ILE 179 HG23 0.03 -0.01 -0.29 -0.04 0.93 0.61 3hdnA1 ILE 179 HD13 0.07 -0.01 -0.18 -0.04 0.88 0.72 3hdnA1 ASN 180 H -0.19 0.09 0.19 -0.55 8.53 8.08 3hdnA1 ASN 180 HA -0.44 0.18 0.52 -0.75 4.76 4.27 3hdnA1 ASN 180 HB2 -0.03 0.04 0.05 -0.04 2.88 2.90 3hdnA1 ASN 180 HB3 -0.32 0.02 -0.07 -0.04 2.79 2.38 3hdnA1 ASN 180 HD21 0.04 0.01 0.02 -0.04 7.03 7.05 3hdnA1 ASN 180 HD22 0.07 0.01 -0.01 -0.04 7.74 7.77 3hdnA1 GLY 181 H -0.02 0.01 -0.07 -0.55 8.43 7.80 3hdnA1 GLY 181 HA2 0.07 0.03 0.20 -0.51 4.01 3.80 3hdnA1 GLY 181 HA3 0.08 0.15 -0.07 -0.51 4.01 3.67 3hdnA1 GLY 182 H 0.02 0.00 -0.60 -0.55 8.43 7.30 3hdnA1 GLY 182 HA2 -0.01 -0.02 0.26 -0.51 4.01 3.73 3hdnA1 GLY 182 HA3 0.06 0.17 0.52 -0.51 4.01 4.26 3hdnA1 GLU 183 H 0.01 0.11 0.12 -0.55 8.60 8.30 3hdnA1 GLU 183 HA 0.13 0.15 0.58 -0.75 4.29 4.40 3hdnA1 GLU 183 HB2 0.12 -0.09 0.13 -0.04 2.09 2.21 3hdnA1 GLU 183 HB3 0.16 0.03 0.11 -0.04 1.99 2.25 3hdnA1 GLU 183 HG2 0.07 0.11 0.06 -0.04 2.34 2.53 3hdnA1 GLU 183 HG3 0.03 -0.04 0.10 -0.04 2.34 2.39 3hdnA1 LEU 184 H 0.21 0.52 0.24 -0.55 8.37 8.79 3hdnA1 LEU 184 HA 0.28 0.12 0.34 -0.75 4.35 4.33 3hdnA1 LEU 184 HB2 0.05 0.01 -0.12 -0.04 1.64 1.54 3hdnA1 LEU 184 HB3 0.31 0.04 0.04 -0.04 1.64 2.00 3hdnA1 LEU 184 HG -0.06 -0.02 -0.33 -0.04 1.64 1.20 3hdnA1 LEU 184 HD13 -0.64 0.01 -0.08 -0.04 0.93 0.18 3hdnA1 LEU 184 HD23 0.05 -0.00 -0.12 -0.04 0.89 0.78 3hdnA1 PHE 185 H 0.48 0.20 -0.15 -0.55 8.34 8.32 3hdnA1 PHE 185 HA 0.03 0.09 0.31 -0.75 4.62 4.29 3hdnA1 PHE 185 HB2 0.06 0.03 0.02 -0.04 3.15 3.21 3hdnA1 PHE 185 HB3 0.02 0.06 0.00 -0.04 3.06 3.11 3hdnA1 PHE 185 HD2 0.06 0.02 -0.01 -0.04 7.28 7.31 3hdnA1 PHE 185 HE2 0.13 0.02 -0.09 -0.04 7.38 7.40 3hdnA1 PHE 185 HZ 0.19 0.02 -0.04 -0.04 7.32 7.44 3hdnA1 TYR 186 H 0.23 0.18 -0.44 -0.55 8.29 7.70 3hdnA1 TYR 186 HA -0.02 0.08 0.58 -0.75 4.56 4.45 3hdnA1 TYR 186 HB2 -0.05 -0.05 0.08 -0.04 3.06 3.00 3hdnA1 TYR 186 HB3 -0.17 0.25 0.10 -0.04 2.98 3.12 3hdnA1 TYR 186 HD2 -0.42 0.04 -0.04 -0.04 7.15 6.68 3hdnA1 TYR 186 HE2 -0.05 0.02 -0.05 -0.04 6.85 6.73 3hdnA1 HIS 187 H -0.06 0.36 -0.19 -0.55 8.41 7.97 3hdnA1 HIS 187 HA -0.35 0.05 0.41 -0.75 4.63 3.98 3hdnA1 HIS 187 HB2 0.11 0.15 0.05 -0.04 3.26 3.54 3hdnA1 HIS 187 HB3 -0.16 -0.02 -0.05 -0.04 3.20 2.93 3hdnA1 HIS 187 HD2 0.16 -0.07 -0.14 -0.04 6.97 6.88 3hdnA1 HIS 187 HE1 0.42 -0.02 -0.03 -0.04 7.75 8.07 3hdnA1 LEU 188 H -0.05 0.25 -0.25 -0.55 8.37 7.77 3hdnA1 LEU 188 HA -0.80 0.06 0.20 -0.75 4.35 3.05 3hdnA1 LEU 188 HB2 -0.72 -0.03 -0.06 -0.04 1.64 0.79 3hdnA1 LEU 188 HB3 -0.33 0.05 0.04 -0.04 1.64 1.36 3hdnA1 LEU 188 HG -0.40 0.13 -0.33 -0.04 1.64 1.00 3hdnA1 LEU 188 HD13 -1.14 0.01 -0.11 -0.04 0.93 -0.35 3hdnA1 LEU 188 HD23 -0.56 0.01 -0.24 -0.04 0.89 0.06 3hdnA1 GLN 189 H -0.13 0.49 -0.21 -0.55 8.47 8.07 3hdnA1 GLN 189 HA -0.11 0.09 0.47 -0.75 4.36 4.06 3hdnA1 GLN 189 HB2 -0.02 -0.02 0.12 -0.04 2.15 2.20 3hdnA1 GLN 189 HB3 -0.06 0.10 0.20 -0.04 2.02 2.22 3hdnA1 GLN 189 HG2 -0.05 -0.02 -0.10 -0.04 2.40 2.19 3hdnA1 GLN 189 HG3 -0.01 -0.06 0.01 -0.04 2.39 2.29 3hdnA1 GLN 189 HE21 -0.05 -0.03 -0.07 -0.04 6.97 6.78 3hdnA1 GLN 189 HE22 -0.05 -0.03 -0.18 -0.04 7.69 7.39 3hdnA1 ARG 190 H -0.24 0.39 -0.32 -0.55 8.46 7.73 3hdnA1 ARG 190 HA -0.13 0.01 0.38 -0.75 4.34 3.85 3hdnA1 ARG 190 HB2 -0.33 0.10 0.13 -0.04 1.90 1.75 3hdnA1 ARG 190 HB3 -0.17 -0.04 0.04 -0.04 1.80 1.59 3hdnA1 ARG 190 HG2 -0.15 -0.04 0.04 -0.04 1.67 1.48 3hdnA1 ARG 190 HG3 -0.41 0.03 0.03 -0.04 1.67 1.28 3hdnA1 ARG 190 HD2 -0.18 -0.06 -0.02 -0.04 3.22 2.92 3hdnA1 ARG 190 HD3 -0.76 0.00 -0.06 -0.04 3.22 2.36 3hdnA1 GLU 191 H -0.17 0.29 -0.67 -0.55 8.60 7.50 3hdnA1 GLU 191 HA -0.08 0.11 0.88 -0.75 4.29 4.44 3hdnA1 GLU 191 HB2 -0.11 0.07 -0.01 -0.04 2.09 2.00 3hdnA1 GLU 191 HB3 -0.04 -0.02 0.18 -0.04 1.99 2.06 3hdnA1 GLU 191 HG2 -0.08 -0.06 -0.03 -0.04 2.34 2.14 3hdnA1 GLU 191 HG3 -0.11 -0.02 -0.35 -0.04 2.34 1.82 3hdnA1 ARG 192 H -0.14 0.26 -0.19 -0.55 8.46 7.83 3hdnA1 ARG 192 HA -0.12 -0.00 0.43 -0.75 4.34 3.89 3hdnA1 CYS 193 H -0.16 0.68 -0.24 -0.55 8.50 8.24 3hdnA1 CYS 193 HA -0.37 0.08 0.33 -0.75 4.58 3.86 3hdnA1 CYS 193 HB2 -0.17 0.10 0.05 -0.04 2.97 2.91 3hdnA1 CYS 193 HB3 -0.16 0.06 -0.25 -0.04 2.97 2.58 3hdnA1 PHE 194 H -0.15 0.82 0.29 -0.55 8.34 8.74 3hdnA1 PHE 194 HA -0.08 0.13 0.93 -0.75 4.62 4.85 3hdnA1 PHE 194 HB2 -0.04 0.02 -0.01 -0.04 3.15 3.08 3hdnA1 PHE 194 HB3 -0.02 -0.08 -0.04 -0.04 3.06 2.88 3hdnA1 PHE 194 HD2 -0.04 0.01 -0.09 -0.04 7.28 7.13 3hdnA1 PHE 194 HE2 -0.19 0.00 -0.22 -0.04 7.38 6.93 3hdnA1 PHE 194 HZ -0.13 0.03 -0.17 -0.04 7.32 7.02 3hdnA1 LEU 195 H 0.08 0.12 0.16 -0.55 8.37 8.19 3hdnA1 LEU 195 HA -0.01 0.17 0.64 -0.75 4.35 4.40 3hdnA1 LEU 195 HB2 -0.04 -0.08 0.13 -0.04 1.64 1.61 3hdnA1 LEU 195 HB3 -0.04 -0.05 0.13 -0.04 1.64 1.64 3hdnA1 LEU 195 HG -0.01 0.08 0.09 -0.04 1.64 1.77 3hdnA1 LEU 195 HD13 -0.04 0.01 0.05 -0.04 0.93 0.91 3hdnA1 LEU 195 HD23 -0.03 0.02 0.06 -0.04 0.89 0.90 3hdnA1 GLU 196 H -0.02 0.17 0.19 -0.55 8.60 8.39 3hdnA1 GLU 196 HA 0.05 0.11 0.29 -0.75 4.29 3.99 3hdnA1 GLU 196 HB2 -0.02 0.03 0.18 -0.04 2.09 2.24 3hdnA1 GLU 196 HB3 0.04 -0.03 0.03 -0.04 1.99 2.00 3hdnA1 GLU 196 HG2 0.02 0.10 0.08 -0.04 2.34 2.49 3hdnA1 GLU 196 HG3 -0.02 0.11 0.15 -0.04 2.34 2.54 3hdnA1 PRO 197 HA -0.14 0.08 0.53 -0.51 4.44 4.40 3hdnA1 PRO 197 HB2 -0.12 0.08 -0.02 -0.04 2.28 2.18 3hdnA1 PRO 197 HB3 -0.11 0.07 0.07 -0.04 2.02 2.01 3hdnA1 PRO 197 HG2 -0.08 0.10 0.06 -0.04 2.03 2.07 3hdnA1 PRO 197 HG3 -0.09 0.04 0.06 -0.04 2.03 2.01 3hdnA1 PRO 197 HD2 -0.06 0.05 -0.05 -0.04 3.68 3.58 3hdnA1 PRO 197 HD3 -0.06 0.05 0.16 -0.04 3.65 3.77 3hdnA1 ARG 198 H -0.11 0.12 -0.30 -0.55 8.46 7.62 3hdnA1 ARG 198 HA -0.35 0.07 0.44 -0.75 4.34 3.75 3hdnA1 ARG 198 HB2 -0.20 -0.00 0.08 -0.04 1.90 1.73 3hdnA1 ARG 198 HB3 -0.12 0.17 0.12 -0.04 1.80 1.93 3hdnA1 ARG 198 HG2 -0.57 0.01 -0.05 -0.04 1.67 1.03 3hdnA1 ARG 198 HG3 -0.61 -0.02 -0.25 -0.04 1.67 0.74 3hdnA1 ARG 198 HD2 -0.45 -0.04 -0.01 -0.04 3.22 2.68 3hdnA1 ARG 198 HD3 -0.25 0.03 -0.06 -0.04 3.22 2.90 3hdnA1 ALA 199 H -0.01 0.64 -0.12 -0.55 8.40 8.36 3hdnA1 ALA 199 HA 0.18 0.02 0.31 -0.75 4.34 4.10 3hdnA1 ALA 199 HB3 0.15 0.02 -0.06 -0.04 1.41 1.48 3hdnA1 ARG 200 H 0.05 0.70 -0.12 -0.55 8.46 8.54 3hdnA1 ARG 200 HA 0.33 -0.03 0.36 -0.75 4.34 4.25 3hdnA1 ARG 200 HB2 -0.50 -0.02 0.08 -0.04 1.90 1.43 3hdnA1 ARG 200 HB3 -0.16 0.10 0.16 -0.04 1.80 1.86 3hdnA1 ARG 200 HG2 -0.06 0.01 -0.30 -0.04 1.67 1.28 3hdnA1 ARG 200 HG3 -0.19 -0.08 -0.08 -0.04 1.67 1.28 3hdnA1 ARG 200 HD2 -0.28 -0.12 -0.03 -0.04 3.22 2.76 3hdnA1 ARG 200 HD3 -1.03 0.23 0.05 -0.04 3.22 2.43 3hdnA1 PHE 201 H 0.02 0.53 -0.22 -0.55 8.34 8.11 3hdnA1 PHE 201 HA -0.13 -0.03 0.36 -0.75 4.62 4.06 3hdnA1 PHE 201 HB2 -0.26 0.06 0.14 -0.04 3.15 3.04 3hdnA1 PHE 201 HB3 -0.56 0.19 0.20 -0.04 3.06 2.85 3hdnA1 PHE 201 HD2 -0.38 -0.02 -0.08 -0.04 7.28 6.75 3hdnA1 PHE 201 HE2 -0.01 0.08 -0.05 -0.04 7.38 7.35 3hdnA1 PHE 201 HZ -0.07 0.07 -0.06 -0.04 7.32 7.22 3hdnA1 TYR 202 H -0.09 0.45 -0.13 -0.55 8.29 7.96 3hdnA1 TYR 202 HA -0.05 0.00 0.42 -0.75 4.56 4.18 3hdnA1 TYR 202 HB2 0.08 0.10 0.08 -0.04 3.06 3.28 3hdnA1 TYR 202 HB3 0.08 -0.07 -0.02 -0.04 2.98 2.92 3hdnA1 TYR 202 HD2 -0.02 -0.06 -0.05 -0.04 7.15 6.97 3hdnA1 TYR 202 HE2 -0.49 0.10 -0.04 -0.04 6.85 6.37 3hdnA1 ALA 203 H 0.24 0.71 -0.09 -0.55 8.40 8.71 3hdnA1 ALA 203 HA 0.22 -0.02 0.42 -0.75 4.34 4.20 3hdnA1 ALA 203 HB3 0.42 0.01 0.04 -0.04 1.41 1.84 3hdnA1 ALA 204 H 0.16 0.73 -0.21 -0.55 8.40 8.53 3hdnA1 ALA 204 HA -0.10 -0.03 0.42 -0.75 4.34 3.88 3hdnA1 ALA 204 HB3 -0.37 0.03 0.05 -0.04 1.41 1.08 3hdnA1 GLU 205 H -0.27 0.53 -0.08 -0.55 8.60 8.24 3hdnA1 GLU 205 HA -0.51 0.02 0.45 -0.75 4.29 3.49 3hdnA1 GLU 205 HB2 -0.45 0.07 0.18 -0.04 2.09 1.84 3hdnA1 GLU 205 HB3 -1.59 0.01 0.06 -0.04 1.99 0.43 3hdnA1 GLU 205 HG2 -0.73 -0.06 0.01 -0.04 2.34 1.52 3hdnA1 GLU 205 HG3 -0.94 0.30 0.10 -0.04 2.34 1.76 3hdnA1 ILE 206 H -0.05 0.54 -0.12 -0.55 8.25 8.07 3hdnA1 ILE 206 HA -0.03 0.05 0.49 -0.75 4.18 3.94 3hdnA1 ILE 206 HB 0.09 0.11 0.12 -0.04 1.89 2.18 3hdnA1 ILE 206 HG12 0.02 -0.05 -0.02 -0.04 1.49 1.40 3hdnA1 ILE 206 HG13 0.02 0.09 0.06 -0.04 1.21 1.34 3hdnA1 ILE 206 HG23 -0.01 -0.03 -0.12 -0.04 0.93 0.73 3hdnA1 ILE 206 HD13 0.13 -0.02 -0.13 -0.04 0.88 0.82 3hdnA1 ALA 207 H 0.16 0.64 -0.16 -0.55 8.40 8.50 3hdnA1 ALA 207 HA 0.40 -0.05 0.34 -0.75 4.34 4.27 3hdnA1 ALA 207 HB3 0.38 0.04 0.10 -0.04 1.41 1.89 3hdnA1 SER 208 H 0.31 0.59 -0.19 -0.55 8.46 8.62 3hdnA1 SER 208 HA -0.45 -0.03 0.36 -0.75 4.49 3.62 3hdnA1 SER 208 HB2 0.28 -0.05 0.06 -0.04 3.95 4.20 3hdnA1 SER 208 HB3 0.59 0.08 0.12 -0.04 3.93 4.68 3hdnA1 ALA 209 H 0.06 0.45 -0.23 -0.55 8.40 8.13 3hdnA1 ALA 209 HA -0.64 0.01 0.40 -0.75 4.34 3.36 3hdnA1 ALA 209 HB3 -0.03 0.04 0.05 -0.04 1.41 1.43 3hdnA1 LEU 210 H -0.11 0.56 -0.17 -0.55 8.37 8.11 3hdnA1 LEU 210 HA -0.34 0.02 0.50 -0.75 4.35 3.78 3hdnA1 LEU 210 HB2 -0.23 0.16 0.13 -0.04 1.64 1.66 3hdnA1 LEU 210 HB3 -0.80 -0.11 -0.00 -0.04 1.64 0.69 3hdnA1 LEU 210 HG -0.18 0.20 0.01 -0.04 1.64 1.62 3hdnA1 LEU 210 HD13 -0.15 -0.02 -0.13 -0.04 0.93 0.59 3hdnA1 LEU 210 HD23 -0.31 -0.04 -0.00 -0.04 0.89 0.50 3hdnA1 GLY 211 H -0.18 0.63 -0.05 -0.55 8.43 8.28 3hdnA1 GLY 211 HA2 0.17 -0.07 0.46 -0.51 4.01 4.05 3hdnA1 GLY 211 HA3 -0.54 0.04 0.35 -0.51 4.01 3.35 3hdnA1 TYR 212 H -0.15 0.61 -0.12 -0.55 8.29 8.08 3hdnA1 TYR 212 HA -0.08 0.01 0.47 -0.75 4.56 4.20 3hdnA1 TYR 212 HB2 -0.02 0.00 0.11 -0.04 3.06 3.12 3hdnA1 TYR 212 HB3 -0.23 0.10 0.13 -0.04 2.98 2.94 3hdnA1 TYR 212 HD2 0.01 -0.01 -0.06 -0.04 7.15 7.05 3hdnA1 TYR 212 HE2 0.05 0.01 -0.02 -0.04 6.85 6.84 3hdnA1 LEU 213 H -0.14 0.43 -0.20 -0.55 8.37 7.92 3hdnA1 LEU 213 HA -0.17 0.05 0.42 -0.75 4.35 3.90 3hdnA1 LEU 213 HB2 -0.23 0.06 0.18 -0.04 1.64 1.61 3hdnA1 LEU 213 HB3 -0.09 0.04 -0.07 -0.04 1.64 1.47 3hdnA1 LEU 213 HG -0.00 0.08 0.03 -0.04 1.64 1.70 3hdnA1 LEU 213 HD13 0.04 -0.03 -0.11 -0.04 0.93 0.79 3hdnA1 LEU 213 HD23 -0.02 -0.01 -0.09 -0.04 0.89 0.73 3hdnA1 HIS 214 H -0.27 0.45 -0.11 -0.55 8.41 7.94 3hdnA1 HIS 214 HA -0.04 0.04 0.46 -0.75 4.63 4.33 3hdnA1 HIS 214 HB2 0.07 0.10 0.17 -0.04 3.26 3.56 3hdnA1 HIS 214 HB3 0.06 -0.08 0.06 -0.04 3.20 3.20 3hdnA1 HIS 214 HD2 -0.08 0.25 0.02 -0.04 6.97 7.11 3hdnA1 HIS 214 HE1 -1.49 -0.06 -0.04 -0.04 7.75 6.12 3hdnA1 SER 215 H -0.03 0.41 -0.26 -0.55 8.46 8.03 3hdnA1 SER 215 HA 0.02 -0.00 0.48 -0.75 4.49 4.23 3hdnA1 SER 215 HB2 -0.03 -0.07 0.12 -0.04 3.95 3.93 3hdnA1 SER 215 HB3 -0.02 0.01 0.16 -0.04 3.93 4.04 3hdnA1 LEU 216 H -0.16 0.31 -0.43 -0.55 8.37 7.54 3hdnA1 LEU 216 HA -0.09 0.12 0.76 -0.75 4.35 4.39 3hdnA1 LEU 216 HB2 -0.18 0.07 0.10 -0.04 1.64 1.59 3hdnA1 LEU 216 HB3 -0.11 -0.03 0.15 -0.04 1.64 1.61 3hdnA1 LEU 216 HG -0.47 0.03 -0.06 -0.04 1.64 1.09 3hdnA1 LEU 216 HD13 -0.33 -0.02 -0.03 -0.04 0.93 0.51 3hdnA1 LEU 216 HD23 -0.12 -0.00 -0.01 -0.04 0.89 0.72 3hdnA1 ASN 217 H -0.01 0.39 -0.52 -0.55 8.53 7.83 3hdnA1 ASN 217 HA 0.01 0.02 0.31 -0.75 4.76 4.34 3hdnA1 ASN 217 HB2 -0.01 -0.02 -0.25 -0.04 2.88 2.56 3hdnA1 ASN 217 HB3 -0.02 0.10 0.16 -0.04 2.79 2.99 3hdnA1 ASN 217 HD21 -0.01 -0.05 0.04 -0.04 7.03 6.97 3hdnA1 ASN 217 HD22 -0.01 0.04 0.08 -0.04 7.74 7.80 3hdnA1 ILE 218 H -0.00 0.64 -0.07 -0.55 8.25 8.27 3hdnA1 ILE 218 HA -0.03 0.15 0.86 -0.75 4.18 4.41 3hdnA1 ILE 218 HB -0.06 -0.04 -0.02 -0.04 1.89 1.73 3hdnA1 ILE 218 HG12 -0.06 -0.00 -0.12 -0.04 1.49 1.26 3hdnA1 ILE 218 HG13 -0.05 0.16 -0.53 -0.04 1.21 0.74 3hdnA1 ILE 218 HG23 -0.09 -0.02 -0.24 -0.04 0.93 0.54 3hdnA1 ILE 218 HD13 -0.06 -0.01 -0.08 -0.04 0.88 0.69 3hdnA1 VAL 219 H -0.02 0.26 0.05 -0.55 8.24 7.98 3hdnA1 VAL 219 HA 0.14 0.11 0.81 -0.75 4.13 4.43 3hdnA1 VAL 219 HB -0.01 0.08 -0.02 -0.04 2.12 2.13 3hdnA1 VAL 219 HG13 0.06 -0.05 -0.17 -0.04 0.97 0.76 3hdnA1 VAL 219 HG23 0.01 0.01 -0.30 -0.04 0.95 0.63 3hdnA1 TYR 220 H 0.11 0.14 0.10 -0.55 8.29 8.09 3hdnA1 TYR 220 HA -0.10 0.15 0.38 -0.75 4.56 4.24 3hdnA1 TYR 220 HB2 -0.12 0.06 0.08 -0.04 3.06 3.03 3hdnA1 TYR 220 HB3 -0.06 -0.06 -0.06 -0.04 2.98 2.76 3hdnA1 TYR 220 HD2 -0.06 -0.03 -0.23 -0.04 7.15 6.79 3hdnA1 TYR 220 HE2 -0.01 0.07 -0.03 -0.04 6.85 6.84 3hdnA1 ARG 221 H 0.08 0.01 -0.22 -0.55 8.46 7.77 3hdnA1 ARG 221 HA -0.01 -0.02 0.28 -0.75 4.34 3.83 3hdnA1 ARG 221 HB2 -0.24 0.19 -0.08 -0.04 1.90 1.73 3hdnA1 ARG 221 HB3 -0.65 0.01 -0.06 -0.04 1.80 1.06 3hdnA1 ARG 221 HG2 -0.46 -0.04 -0.08 -0.04 1.67 1.05 3hdnA1 ARG 221 HG3 -0.17 0.04 -0.42 -0.04 1.67 1.07 3hdnA1 ARG 221 HD2 -0.23 0.01 -0.04 -0.04 3.22 2.93 3hdnA1 ARG 221 HD3 -0.27 0.06 -0.09 -0.04 3.22 2.89 3hdnA1 ASP 222 H 0.09 0.63 0.10 -0.55 8.40 8.68 3hdnA1 ASP 222 HA 0.16 0.21 0.87 -0.75 4.63 5.11 3hdnA1 ASP 222 HB2 0.10 -0.01 0.04 -0.04 2.71 2.80 3hdnA1 ASP 222 HB3 0.08 0.06 -0.10 -0.04 2.70 2.70 3hdnA1 LEU 223 H 0.19 0.14 -0.12 -0.55 8.37 8.03 3hdnA1 LEU 223 HA 0.16 0.05 0.61 -0.75 4.35 4.42 3hdnA1 LEU 223 HB2 -0.26 -0.05 0.00 -0.04 1.64 1.30 3hdnA1 LEU 223 HB3 0.07 -0.01 0.07 -0.04 1.64 1.73 3hdnA1 LEU 223 HG 0.05 0.03 -0.31 -0.04 1.64 1.36 3hdnA1 LEU 223 HD13 -0.40 -0.01 -0.04 -0.04 0.93 0.44 3hdnA1 LEU 223 HD23 -0.09 -0.01 -0.16 -0.04 0.89 0.59 3hdnA1 LYS 224 H 0.09 0.15 0.23 -0.55 8.42 8.33 3hdnA1 LYS 224 HA -0.09 0.25 0.86 -0.75 4.32 4.58 3hdnA1 LYS 224 HB2 -0.01 -0.12 0.07 -0.04 1.87 1.78 3hdnA1 LYS 224 HB3 -0.11 0.12 0.12 -0.04 1.79 1.88 3hdnA1 LYS 224 HG2 -0.05 -0.01 -0.09 -0.04 1.46 1.27 3hdnA1 LYS 224 HG3 0.05 0.12 -0.31 -0.04 1.46 1.27 3hdnA1 LYS 224 HD2 -0.02 -0.09 -0.02 -0.04 1.69 1.52 3hdnA1 LYS 224 HD3 -0.05 0.18 -0.01 -0.04 1.68 1.76 3hdnA1 LYS 224 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.89 3hdnA1 LYS 224 HE3 0.02 -0.01 -0.08 -0.04 2.99 2.88 3hdnA1 PRO 225 HA -0.43 0.08 0.51 -0.51 4.44 4.08 3hdnA1 PRO 225 HB2 -0.49 0.06 -0.01 -0.04 2.28 1.80 3hdnA1 PRO 225 HB3 -2.04 0.02 0.06 -0.04 2.02 0.03 3hdnA1 PRO 225 HG2 -0.52 0.09 -0.02 -0.04 2.03 1.54 3hdnA1 PRO 225 HG3 -0.74 0.07 -0.01 -0.04 2.03 1.31 3hdnA1 PRO 225 HD2 -0.37 0.29 0.08 -0.04 3.68 3.64 3hdnA1 PRO 225 HD3 -0.49 0.16 0.07 -0.04 3.65 3.34 3hdnA1 GLU 226 H -0.12 0.18 -0.26 -0.55 8.60 7.85 3hdnA1 GLU 226 HA -0.00 0.12 0.57 -0.75 4.29 4.23 3hdnA1 GLU 226 HB2 -0.00 0.03 0.08 -0.04 2.09 2.16 3hdnA1 GLU 226 HB3 -0.04 0.04 0.06 -0.04 1.99 2.01 3hdnA1 GLU 226 HG2 -0.04 -0.05 -0.02 -0.04 2.34 2.19 3hdnA1 GLU 226 HG3 0.01 0.00 -0.28 -0.04 2.34 2.02 3hdnA1 ASN 227 H 0.01 0.39 -0.38 -0.55 8.53 8.00 3hdnA1 ASN 227 HA 0.10 0.15 0.79 -0.75 4.76 5.05 3hdnA1 ASN 227 HB2 0.11 0.07 0.21 -0.04 2.88 3.23 3hdnA1 ASN 227 HB3 0.22 -0.14 0.24 -0.04 2.79 3.07 3hdnA1 ASN 227 HD21 0.11 0.08 0.08 -0.04 7.03 7.27 3hdnA1 ASN 227 HD22 0.22 -0.10 0.26 -0.04 7.74 8.08 3hdnA1 ILE 228 H 0.08 0.30 -0.38 -0.55 8.25 7.70 3hdnA1 ILE 228 HA 0.11 0.22 1.00 -0.75 4.18 4.76 3hdnA1 ILE 228 HB 0.25 -0.01 0.17 -0.04 1.89 2.26 3hdnA1 ILE 228 HG12 0.09 0.02 -0.14 -0.04 1.49 1.41 3hdnA1 ILE 228 HG13 0.08 0.03 -0.21 -0.04 1.21 1.07 3hdnA1 ILE 228 HG23 0.15 -0.01 -0.12 -0.04 0.93 0.90 3hdnA1 ILE 228 HD13 0.23 -0.02 -0.17 -0.04 0.88 0.88 3hdnA1 LEU 229 H 0.12 0.69 0.30 -0.55 8.37 8.93 3hdnA1 LEU 229 HA 0.13 -0.01 0.93 -0.75 4.35 4.65 3hdnA1 LEU 229 HB2 0.09 -0.00 -0.14 -0.04 1.64 1.55 3hdnA1 LEU 229 HB3 0.08 0.04 -0.14 -0.04 1.64 1.57 3hdnA1 LEU 229 HG 0.10 0.00 -0.35 -0.04 1.64 1.35 3hdnA1 LEU 229 HD13 0.06 0.01 -0.12 -0.04 0.93 0.83 3hdnA1 LEU 229 HD23 0.07 0.04 -0.23 -0.04 0.89 0.72 3hdnA1 LEU 230 H 0.15 0.64 0.06 -0.55 8.37 8.67 3hdnA1 LEU 230 HA 0.13 0.25 0.74 -0.75 4.35 4.71 3hdnA1 LEU 230 HB2 0.17 0.11 -0.12 -0.04 1.64 1.76 3hdnA1 LEU 230 HB3 0.10 -0.00 -0.10 -0.04 1.64 1.59 3hdnA1 LEU 230 HG 0.10 -0.10 -0.21 -0.04 1.64 1.39 3hdnA1 LEU 230 HD13 -0.04 0.03 -0.12 -0.04 0.93 0.76 3hdnA1 LEU 230 HD23 -0.15 0.02 -0.28 -0.04 0.89 0.44 3hdnA1 ASP 231 H 0.15 0.49 0.19 -0.55 8.40 8.68 3hdnA1 ASP 231 HA 0.05 0.02 0.74 -0.75 4.63 4.69 3hdnA1 ASP 231 HB2 0.08 -0.08 0.21 -0.04 2.71 2.88 3hdnA1 ASP 231 HB3 0.11 0.13 0.05 -0.04 2.70 2.96 3hdnA1 SER 232 H 0.04 0.14 0.19 -0.55 8.46 8.29 3hdnA1 SER 232 HA 0.01 0.10 0.28 -0.75 4.49 4.12 3hdnA1 SER 232 HB2 0.02 0.10 0.07 -0.04 3.95 4.11 3hdnA1 SER 232 HB3 0.03 -0.05 0.16 -0.04 3.93 4.03 3hdnA1 GLN 233 H 0.07 -0.14 -0.44 -0.55 8.47 7.41 3hdnA1 GLN 233 HA -0.01 0.21 0.68 -0.75 4.36 4.48 3hdnA1 GLN 233 HB2 0.20 -0.11 0.04 -0.04 2.15 2.24 3hdnA1 GLN 233 HB3 0.09 0.09 0.01 -0.04 2.02 2.17 3hdnA1 GLN 233 HG2 0.05 0.07 -0.03 -0.04 2.40 2.44 3hdnA1 GLN 233 HG3 0.07 -0.14 -0.06 -0.04 2.39 2.22 3hdnA1 GLN 233 HE21 0.05 0.03 -0.00 -0.04 6.97 7.00 3hdnA1 GLN 233 HE22 0.05 -0.01 -0.01 -0.04 7.69 7.68 3hdnA1 GLY 234 H 0.07 -0.17 -0.01 -0.55 8.43 7.78 3hdnA1 GLY 234 HA2 0.02 0.03 0.24 -0.51 4.01 3.79 3hdnA1 GLY 234 HA3 -0.09 0.41 0.97 -0.51 4.01 4.80 3hdnA1 HIS 235 H 0.22 -0.14 0.17 -0.55 8.41 8.11 3hdnA1 HIS 235 HA 0.38 0.20 0.89 -0.75 4.63 5.34 3hdnA1 HIS 235 HB2 0.21 -0.11 0.11 -0.04 3.26 3.43 3hdnA1 HIS 235 HB3 0.39 0.15 0.05 -0.04 3.20 3.75 3hdnA1 HIS 235 HD2 0.13 -0.12 -0.06 -0.04 6.97 6.88 3hdnA1 HIS 235 HE1 0.34 0.17 -0.03 -0.04 7.75 8.18 3hdnA1 ILE 236 H 0.23 0.11 0.16 -0.55 8.25 8.20 3hdnA1 ILE 236 HA 0.14 0.14 0.47 -0.75 4.18 4.17 3hdnA1 ILE 236 HB -0.18 -0.04 0.11 -0.04 1.89 1.74 3hdnA1 ILE 236 HG12 0.25 -0.00 0.09 -0.04 1.49 1.79 3hdnA1 ILE 236 HG13 0.06 0.07 0.12 -0.04 1.21 1.42 3hdnA1 ILE 236 HG23 0.05 -0.00 -0.20 -0.04 0.93 0.74 3hdnA1 ILE 236 HD13 -0.02 -0.00 -0.07 -0.04 0.88 0.74 3hdnA1 VAL 237 H 0.14 0.82 0.38 -0.55 8.24 9.04 3hdnA1 VAL 237 HA 0.22 0.22 0.68 -0.75 4.13 4.50 3hdnA1 VAL 237 HB 0.13 -0.09 -0.08 -0.04 2.12 2.03 3hdnA1 VAL 237 HG13 0.13 -0.00 -0.31 -0.04 0.97 0.75 3hdnA1 VAL 237 HG23 0.17 0.05 -0.24 -0.04 0.95 0.88 3hdnA1 LEU 238 H 0.18 0.65 0.22 -0.55 8.37 8.88 3hdnA1 LEU 238 HA 0.15 0.34 1.04 -0.75 4.35 5.13 3hdnA1 LEU 238 HB2 0.21 0.06 0.26 -0.04 1.64 2.12 3hdnA1 LEU 238 HB3 0.29 -0.12 0.15 -0.04 1.64 1.91 3hdnA1 LEU 238 HG 0.10 0.11 0.01 -0.04 1.64 1.81 3hdnA1 LEU 238 HD13 -0.11 -0.02 -0.00 -0.04 0.93 0.75 3hdnA1 LEU 238 HD23 0.01 -0.02 -0.04 -0.04 0.89 0.81 3hdnA1 THR 239 H 0.18 0.39 0.32 -0.55 8.28 8.63 3hdnA1 THR 239 HA 0.16 0.08 0.28 -0.75 4.39 4.16 3hdnA1 THR 239 HB 0.15 -0.03 0.06 -0.04 4.32 4.46 3hdnA1 THR 239 HG23 0.11 0.05 -0.05 -0.04 1.22 1.29 3hdnA1 ASP 240 H 0.18 0.02 -0.10 -0.55 8.40 7.95 3hdnA1 ASP 240 HA -0.21 -0.02 0.53 -0.75 4.63 4.17 3hdnA1 ASP 240 HB2 -0.45 -0.01 0.12 -0.04 2.71 2.32 3hdnA1 ASP 240 HB3 -0.33 0.04 0.07 -0.04 2.70 2.43 3hdnA1 PHE 241 H -0.65 -0.05 0.25 -0.55 8.34 7.33 3hdnA1 PHE 241 HA -0.05 0.32 0.94 -0.75 4.62 5.08 3hdnA1 PHE 241 HB2 -0.05 -0.03 0.09 -0.04 3.15 3.12 3hdnA1 PHE 241 HB3 -0.03 0.14 -0.12 -0.04 3.06 3.02 3hdnA1 PHE 241 HD2 -0.11 0.18 -0.11 -0.04 7.28 7.19 3hdnA1 PHE 241 HE2 -0.55 0.01 -0.08 -0.04 7.38 6.71 3hdnA1 PHE 241 HZ -0.55 0.02 -0.08 -0.04 7.32 6.67 3hdnA1 GLY 242 H -0.58 -0.12 0.14 -0.55 8.43 7.33 3hdnA1 GLY 242 HA2 -0.24 0.09 0.14 -0.51 4.01 3.48 3hdnA1 GLY 242 HA3 -0.14 0.33 0.61 -0.51 4.01 4.29 3hdnA1 LEU 243 H -0.80 -0.10 0.09 -0.55 8.37 7.02 3hdnA1 LEU 243 HA -0.34 0.16 0.57 -0.75 4.35 3.98 3hdnA1 LEU 243 HB2 -0.76 -0.11 0.11 -0.04 1.64 0.83 3hdnA1 LEU 243 HB3 -0.53 0.08 -0.16 -0.04 1.64 0.99 3hdnA1 LEU 243 HG -0.82 -0.05 -0.08 -0.04 1.64 0.65 3hdnA1 LEU 243 HD13 -0.48 0.00 -0.08 -0.04 0.93 0.33 3hdnA1 LEU 243 HD23 -0.29 0.03 -0.12 -0.04 0.89 0.48 3hdnA1 CYS 244 H -0.21 0.66 0.31 -0.55 8.50 8.72 3hdnA1 CYS 244 HA -0.22 -0.02 0.51 -0.75 4.58 4.10 3hdnA1 CYS 244 HB2 -0.12 0.22 0.22 -0.04 2.97 3.25 3hdnA1 CYS 244 HB3 -0.12 -0.06 0.26 -0.04 2.97 3.02 3hdnA1 LYS 245 H -0.32 0.21 0.25 -0.55 8.42 8.01 3hdnA1 LYS 245 HA -0.63 0.07 0.26 -0.75 4.32 3.27 3hdnA1 LYS 245 HB2 -0.30 -0.01 0.12 -0.04 1.87 1.63 3hdnA1 LYS 245 HB3 -0.31 0.01 0.03 -0.04 1.79 1.48 3hdnA1 LYS 245 HG2 -1.53 -0.06 0.00 -0.04 1.46 -0.16 3hdnA1 LYS 245 HG3 -0.63 0.31 0.10 -0.04 1.46 1.20 3hdnA1 LYS 245 HD2 -0.18 -0.02 0.02 -0.04 1.69 1.48 3hdnA1 LYS 245 HD3 -0.32 -0.06 0.04 -0.04 1.68 1.30 3hdnA1 LYS 245 HE2 -0.39 0.02 0.06 -0.04 2.99 2.63 3hdnA1 LYS 245 HE3 -0.31 -0.03 0.05 -0.04 2.99 2.66 3hdnA1 GLU 246 H -0.13 0.10 -0.14 -0.55 8.60 7.88 3hdnA1 GLU 246 HA 0.02 0.12 0.48 -0.75 4.29 4.16 3hdnA1 GLU 246 HB2 0.00 0.04 0.18 -0.04 2.09 2.27 3hdnA1 GLU 246 HB3 -0.03 -0.02 0.09 -0.04 1.99 1.99 3hdnA1 GLU 246 HG2 -0.05 0.07 -0.14 -0.04 2.34 2.17 3hdnA1 GLU 246 HG3 -0.03 0.03 0.01 -0.04 2.34 2.31 3hdnA1 ASN 247 H -0.04 0.25 -0.95 -0.55 8.53 7.23 3hdnA1 ASN 247 HA 0.01 0.11 0.62 -0.75 4.76 4.74 3hdnA1 ASN 247 HB2 -0.06 0.20 -0.05 -0.04 2.88 2.93 3hdnA1 ASN 247 HB3 -0.02 -0.11 0.16 -0.04 2.79 2.79 3hdnA1 ASN 247 HD21 -0.01 -0.01 -0.01 -0.04 7.03 6.96 3hdnA1 ASN 247 HD22 -0.00 -0.09 0.16 -0.04 7.74 7.76 3hdnA1 ILE 248 H 0.09 0.38 0.13 -0.55 8.25 8.30 3hdnA1 ILE 248 HA 0.09 0.21 1.03 -0.75 4.18 4.76 3hdnA1 ILE 248 HB 0.28 0.01 0.10 -0.04 1.89 2.25 3hdnA1 ILE 248 HG12 0.02 0.02 -0.15 -0.04 1.49 1.33 3hdnA1 ILE 248 HG13 -0.05 -0.05 -0.38 -0.04 1.21 0.68 3hdnA1 ILE 248 HG23 0.25 -0.00 -0.19 -0.04 0.93 0.94 3hdnA1 ILE 248 HD13 -0.31 -0.03 -0.15 -0.04 0.88 0.35 3hdnA1 GLU 249 H 0.10 0.73 0.29 -0.55 8.60 9.18 3hdnA1 GLU 249 HA 0.05 0.01 0.59 -0.75 4.29 4.19 3hdnA1 HIS 250 H -0.18 0.27 0.26 -0.55 8.41 8.22 3hdnA1 HIS 250 HA -0.03 0.08 0.74 -0.75 4.63 4.66 3hdnA1 HIS 250 HB2 -0.14 0.01 0.07 -0.04 3.26 3.17 3hdnA1 HIS 250 HB3 -0.07 0.13 -0.20 -0.04 3.20 3.02 3hdnA1 HIS 250 HD2 -0.17 0.04 -0.32 -0.04 6.97 6.48 3hdnA1 HIS 250 HE1 0.20 0.02 0.04 -0.04 7.75 7.96 3hdnA1 ASN 251 H 0.01 0.17 0.15 -0.55 8.53 8.31 3hdnA1 ASN 251 HA -0.08 0.05 0.70 -0.75 4.76 4.68 3hdnA1 ASN 251 HB2 -0.01 0.04 0.22 -0.04 2.88 3.09 3hdnA1 ASN 251 HB3 -0.02 -0.05 0.08 -0.04 2.79 2.76 3hdnA1 ASN 251 HD21 -0.02 0.01 0.01 -0.04 7.03 7.00 3hdnA1 ASN 251 HD22 -0.02 -0.00 0.03 -0.04 7.74 7.71 3hdnA1 SER 252 H -0.11 0.20 0.21 -0.55 8.46 8.22 3hdnA1 SER 252 HA 0.02 0.19 0.72 -0.75 4.49 4.67 3hdnA1 SER 252 HB2 0.01 -0.00 0.13 -0.04 3.95 4.05 3hdnA1 SER 252 HB3 -0.04 0.04 0.02 -0.04 3.93 3.90 3hdnA1 THR 253 H -0.03 -0.04 -0.30 -0.55 8.28 7.37 3hdnA1 THR 253 HA -0.01 0.01 0.35 -0.75 4.39 3.99 3hdnA1 THR 253 HB -0.01 0.05 -0.07 -0.04 4.32 4.25 3hdnA1 THR 253 HG23 -0.02 -0.01 0.03 -0.04 1.22 1.18 3hdnA1 THR 254 H 0.02 0.11 0.18 -0.55 8.28 8.04 3hdnA1 THR 254 HA 0.03 0.15 0.89 -0.75 4.39 4.70 3hdnA1 THR 254 HB 0.09 0.04 0.02 -0.04 4.32 4.43 3hdnA1 THR 254 HG23 0.11 0.05 -0.02 -0.04 1.22 1.31 3hdnA1 SER 255 H 0.01 0.10 0.11 -0.55 8.46 8.14 3hdnA1 SER 255 HA -0.02 0.07 0.47 -0.75 4.49 4.26 3hdnA1 SER 255 HB2 -0.00 -0.02 0.05 -0.04 3.95 3.93 3hdnA1 SER 255 HB3 0.00 0.02 0.05 -0.04 3.93 3.96 3hdnA1 THR 256 H -0.07 0.11 0.15 -0.55 8.28 7.91 3hdnA1 THR 256 HA -0.13 0.07 0.50 -0.75 4.39 4.08 3hdnA1 THR 256 HB -0.30 -0.03 0.19 -0.04 4.32 4.13 3hdnA1 THR 256 HG23 -0.52 -0.01 -0.04 -0.04 1.22 0.61 3hdnA1 PHE 257 H -0.04 0.11 0.10 -0.55 8.34 7.96 3hdnA1 PHE 257 HA -0.06 0.22 1.07 -0.75 4.62 5.09 3hdnA1 PHE 257 HB2 -0.02 -0.03 0.09 -0.04 3.15 3.15 3hdnA1 PHE 257 HB3 -0.02 0.07 0.03 -0.04 3.06 3.10 3hdnA1 PHE 257 HD2 -0.04 0.07 0.03 -0.04 7.28 7.30 3hdnA1 PHE 257 HE2 -0.03 -0.03 -0.02 -0.04 7.38 7.26 3hdnA1 PHE 257 HZ -0.02 0.01 -0.02 -0.04 7.32 7.25 3hdnA1 CYS 258 H 0.10 0.49 0.25 -0.55 8.50 8.78 3hdnA1 CYS 258 HA 0.07 0.05 0.40 -0.75 4.58 4.34 3hdnA1 CYS 258 HB2 0.07 0.07 0.08 -0.04 2.97 3.15 3hdnA1 CYS 258 HB3 0.06 0.04 0.11 -0.04 2.97 3.15 3hdnA1 GLY 259 H 0.02 0.04 -0.05 -0.55 8.43 7.89 3hdnA1 GLY 259 HA2 0.02 0.02 0.39 -0.51 4.01 3.93 3hdnA1 GLY 259 HA3 0.01 0.04 0.25 -0.51 4.01 3.80 3hdnA1 THR 260 H 0.02 0.06 0.12 -0.55 8.28 7.94 3hdnA1 THR 260 HA -0.00 0.13 0.59 -0.75 4.39 4.35 3hdnA1 THR 260 HB -0.00 -0.03 0.05 -0.04 4.32 4.30 3hdnA1 THR 260 HG23 -0.03 0.02 -0.06 -0.04 1.22 1.12 3hdnA1 PRO 261 HA -0.05 0.04 0.42 -0.51 4.44 4.34 3hdnA1 PRO 261 HB2 -0.17 -0.11 0.13 -0.04 2.28 2.09 3hdnA1 PRO 261 HB3 -0.11 0.05 0.07 -0.04 2.02 1.99 3hdnA1 PRO 261 HG2 -0.04 -0.01 0.08 -0.04 2.03 2.02 3hdnA1 PRO 261 HG3 -0.00 0.10 0.08 -0.04 2.03 2.17 3hdnA1 PRO 261 HD2 -0.04 0.02 0.20 -0.04 3.68 3.82 3hdnA1 PRO 261 HD3 -0.00 0.27 0.29 -0.04 3.65 4.16 3hdnA1 GLU 262 H -0.11 0.32 0.25 -0.55 8.60 8.52 3hdnA1 GLU 262 HA -0.32 0.02 0.49 -0.75 4.29 3.72 3hdnA1 GLU 262 HB2 0.01 -0.03 -0.07 -0.04 2.09 1.96 3hdnA1 GLU 262 HB3 -0.05 0.08 -0.17 -0.04 1.99 1.82 3hdnA1 GLU 262 HG2 0.03 0.32 -0.07 -0.04 2.34 2.58 3hdnA1 GLU 262 HG3 0.08 -0.07 -0.14 -0.04 2.34 2.17 3hdnA1 TYR 263 H -0.01 0.24 0.05 -0.55 8.29 8.02 3hdnA1 TYR 263 HA 0.27 0.22 0.89 -0.75 4.56 5.19 3hdnA1 TYR 263 HB2 0.27 -0.02 0.18 -0.04 3.06 3.45 3hdnA1 TYR 263 HB3 0.38 0.06 -0.02 -0.04 2.98 3.35 3hdnA1 TYR 263 HD2 0.13 0.13 -0.03 -0.04 7.15 7.35 3hdnA1 TYR 263 HE2 0.06 -0.03 -0.13 -0.04 6.85 6.71 3hdnA1 LEU 264 H 0.28 0.27 -0.00 -0.55 8.37 8.37 3hdnA1 LEU 264 HA 0.10 0.07 0.76 -0.75 4.35 4.52 3hdnA1 LEU 264 HB2 0.07 0.02 0.08 -0.04 1.64 1.77 3hdnA1 LEU 264 HB3 -0.06 0.03 -0.07 -0.04 1.64 1.49 3hdnA1 LEU 264 HG 0.13 -0.03 -0.18 -0.04 1.64 1.53 3hdnA1 LEU 264 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.82 3hdnA1 LEU 264 HD23 0.06 0.01 -0.12 -0.04 0.89 0.81 3hdnA1 ALA 265 H -0.12 0.13 0.16 -0.55 8.40 8.02 3hdnA1 ALA 265 HA -1.68 0.23 0.45 -0.75 4.34 2.59 3hdnA1 ALA 265 HB3 -0.50 0.00 0.15 -0.04 1.41 1.03 3hdnA1 PRO 266 HA -0.25 0.11 0.40 -0.51 4.44 4.19 3hdnA1 PRO 266 HB2 -0.23 0.04 0.14 -0.04 2.28 2.18 3hdnA1 PRO 266 HB3 -0.15 0.07 0.10 -0.04 2.02 1.99 3hdnA1 PRO 266 HG2 -0.42 0.04 0.19 -0.04 2.03 1.80 3hdnA1 PRO 266 HG3 -0.46 0.24 0.08 -0.04 2.03 1.85 3hdnA1 PRO 266 HD2 -1.25 0.07 0.22 -0.04 3.68 2.68 3hdnA1 PRO 266 HD3 -2.21 0.20 0.19 -0.04 3.65 1.79 3hdnA1 GLU 267 H -0.26 0.14 -0.18 -0.55 8.60 7.75 3hdnA1 GLU 267 HA -0.08 0.11 0.41 -0.75 4.29 3.98 3hdnA1 GLU 267 HB2 -0.13 0.06 0.01 -0.04 2.09 1.99 3hdnA1 GLU 267 HB3 -0.13 -0.00 0.08 -0.04 1.99 1.90 3hdnA1 GLU 267 HG2 -0.19 -0.04 -0.06 -0.04 2.34 2.01 3hdnA1 GLU 267 HG3 -0.12 0.04 -0.06 -0.04 2.34 2.16 3hdnA1 VAL 268 H -0.22 0.19 -0.30 -0.55 8.24 7.35 3hdnA1 VAL 268 HA -0.28 0.13 0.53 -0.75 4.13 3.76 3hdnA1 VAL 268 HB -0.13 0.09 0.06 -0.04 2.12 2.09 3hdnA1 VAL 268 HG13 -0.06 0.01 -0.01 -0.04 0.97 0.87 3hdnA1 VAL 268 HG23 -0.17 -0.01 0.07 -0.04 0.95 0.80 3hdnA1 LEU 269 H -0.19 0.39 -0.23 -0.55 8.37 7.80 3hdnA1 LEU 269 HA -0.25 0.07 0.51 -0.75 4.35 3.92 3hdnA1 LEU 269 HB2 -0.24 0.15 0.11 -0.04 1.64 1.62 3hdnA1 LEU 269 HB3 -0.32 -0.03 -0.02 -0.04 1.64 1.23 3hdnA1 LEU 269 HG -0.23 0.02 -0.15 -0.04 1.64 1.24 3hdnA1 LEU 269 HD13 -0.14 -0.00 -0.06 -0.04 0.93 0.69 3hdnA1 LEU 269 HD23 -0.62 -0.02 -0.02 -0.04 0.89 0.19 3hdnA1 HIS 270 H -0.04 0.37 -0.13 -0.55 8.41 8.07 3hdnA1 HIS 270 HA -0.11 0.06 0.52 -0.75 4.63 4.36 3hdnA1 HIS 270 HB2 -0.13 0.01 0.06 -0.04 3.26 3.17 3hdnA1 HIS 270 HB3 -0.10 -0.03 0.04 -0.04 3.20 3.07 3hdnA1 HIS 270 HD2 -0.07 -0.01 0.02 -0.04 6.97 6.86 3hdnA1 HIS 270 HE1 -0.09 0.01 -0.02 -0.04 7.75 7.60 3hdnA1 LYS 271 H -0.11 0.06 -1.03 -0.55 8.42 6.78 3hdnA1 LYS 271 HA -0.14 0.07 0.27 -0.75 4.32 3.77 3hdnA1 LYS 271 HB2 -0.06 0.11 -0.09 -0.04 1.87 1.78 3hdnA1 LYS 271 HB3 -0.07 -0.09 0.15 -0.04 1.79 1.74 3hdnA1 LYS 271 HG2 -0.08 0.01 0.03 -0.04 1.46 1.37 3hdnA1 LYS 271 HG3 -0.11 0.14 -0.16 -0.04 1.46 1.29 3hdnA1 LYS 271 HD2 -0.06 -0.01 -0.04 -0.04 1.69 1.53 3hdnA1 LYS 271 HD3 -0.05 -0.06 -0.01 -0.04 1.68 1.53 3hdnA1 LYS 271 HE2 -0.06 -0.01 -0.00 -0.04 2.99 2.87 3hdnA1 LYS 271 HE3 -0.09 0.04 -0.01 -0.04 2.99 2.90 3hdnA1 GLN 272 H -0.15 0.55 0.09 -0.55 8.47 8.42 3hdnA1 GLN 272 HA -0.09 0.18 0.81 -0.75 4.36 4.51 3hdnA1 GLN 272 HB2 -0.12 -0.06 0.03 -0.04 2.15 1.96 3hdnA1 GLN 272 HB3 -0.09 -0.01 0.02 -0.04 2.02 1.89 3hdnA1 GLN 272 HG2 -0.07 0.01 -0.05 -0.04 2.40 2.25 3hdnA1 GLN 272 HG3 -0.05 0.07 -0.37 -0.04 2.39 2.00 3hdnA1 GLN 272 HE21 -0.17 -0.06 -0.02 -0.04 6.97 6.68 3hdnA1 GLN 272 HE22 -0.10 0.04 -0.03 -0.04 7.69 7.56 3hdnA1 PRO 273 HA -0.08 0.01 0.31 -0.51 4.44 4.17 3hdnA1 PRO 273 HB2 -0.02 -0.02 -0.05 -0.04 2.28 2.14 3hdnA1 PRO 273 HB3 0.01 0.05 0.04 -0.04 2.02 2.07 3hdnA1 PRO 273 HG2 -0.03 0.02 0.06 -0.04 2.03 2.04 3hdnA1 PRO 273 HG3 -0.02 0.07 0.07 -0.04 2.03 2.10 3hdnA1 PRO 273 HD2 -0.06 0.06 0.16 -0.04 3.68 3.79 3hdnA1 PRO 273 HD3 -0.06 0.23 0.21 -0.04 3.65 3.98 3hdnA1 TYR 274 H 0.17 0.11 0.14 -0.55 8.29 8.16 3hdnA1 TYR 274 HA -0.02 0.04 0.56 -0.75 4.56 4.39 3hdnA1 TYR 274 HB2 -0.02 -0.00 0.15 -0.04 3.06 3.15 3hdnA1 TYR 274 HB3 -0.01 -0.03 0.03 -0.04 2.98 2.93 3hdnA1 TYR 274 HD2 -0.00 -0.03 0.07 -0.04 7.15 7.15 3hdnA1 TYR 274 HE2 0.01 0.04 -0.01 -0.04 6.85 6.84 3hdnA1 ASP 275 H 0.03 0.13 0.21 -0.55 8.40 8.22 3hdnA1 ASP 275 HA 0.02 0.28 0.73 -0.75 4.63 4.90 3hdnA1 ASP 275 HB2 -0.00 -0.07 0.19 -0.04 2.71 2.78 3hdnA1 ASP 275 HB3 0.00 0.14 0.04 -0.04 2.70 2.84 3hdnA1 ARG 276 H -0.07 0.26 0.13 -0.55 8.46 8.22 3hdnA1 ARG 276 HA -0.25 0.04 0.38 -0.75 4.34 3.75 3hdnA1 ARG 276 HB2 -1.11 -0.00 0.06 -0.04 1.90 0.80 3hdnA1 ARG 276 HB3 -0.56 0.10 0.10 -0.04 1.80 1.40 3hdnA1 ARG 276 HG2 -0.08 -0.02 0.15 -0.04 1.67 1.69 3hdnA1 ARG 276 HG3 -0.01 0.03 0.07 -0.04 1.67 1.71 3hdnA1 ARG 276 HD2 0.01 -0.06 0.01 -0.04 3.22 3.13 3hdnA1 ARG 276 HD3 -0.08 0.06 0.03 -0.04 3.22 3.20 3hdnA1 THR 277 H 0.03 0.14 -0.23 -0.55 8.28 7.67 3hdnA1 THR 277 HA 0.42 0.08 0.24 -0.75 4.39 4.37 3hdnA1 THR 277 HB 0.23 0.05 0.07 -0.04 4.32 4.62 3hdnA1 THR 277 HG23 0.20 0.06 -0.02 -0.04 1.22 1.42 3hdnA1 VAL 278 H 0.05 0.39 -0.48 -0.55 8.24 7.66 3hdnA1 VAL 278 HA 0.15 0.10 0.65 -0.75 4.13 4.28 3hdnA1 VAL 278 HB 0.09 -0.02 0.15 -0.04 2.12 2.30 3hdnA1 VAL 278 HG13 0.20 0.06 0.01 -0.04 0.97 1.20 3hdnA1 VAL 278 HG23 0.13 0.01 0.12 -0.04 0.95 1.17 3hdnA1 ASP 279 H -0.05 0.52 0.04 -0.55 8.40 8.36 3hdnA1 ASP 279 HA 0.03 0.04 0.48 -0.75 4.63 4.43 3hdnA1 ASP 279 HB2 -0.44 0.19 0.16 -0.04 2.71 2.59 3hdnA1 ASP 279 HB3 -0.32 -0.00 0.06 -0.04 2.70 2.40 3hdnA1 TRP 280 H -0.03 0.20 -0.27 -0.55 7.97 7.32 3hdnA1 TRP 280 HA 0.14 0.01 0.48 -0.75 4.62 4.50 3hdnA1 TRP 280 HB2 0.15 0.16 0.08 -0.04 3.23 3.59 3hdnA1 TRP 280 HB3 0.12 0.07 0.06 -0.04 3.23 3.44 3hdnA1 TRP 280 HD1 0.08 0.01 -0.08 -0.04 7.22 7.19 3hdnA1 TRP 280 HE1 0.08 -0.03 -0.06 -0.04 10.20 10.16 3hdnA1 TRP 280 HE3 0.14 -0.00 -0.03 -0.04 7.59 7.66 3hdnA1 TRP 280 HZ2 0.40 -0.08 -0.09 -0.04 7.44 7.62 3hdnA1 TRP 280 HZ3 0.19 0.01 0.00 -0.04 7.13 7.29 3hdnA1 TRP 280 HH2 0.39 0.04 0.00 -0.04 7.19 7.58 3hdnA1 TRP 281 H 0.46 0.27 -0.18 -0.55 7.97 7.98 3hdnA1 TRP 281 HA 0.14 0.32 0.59 -0.75 4.62 4.92 3hdnA1 TRP 281 HB2 0.12 0.08 0.17 -0.04 3.23 3.57 3hdnA1 TRP 281 HB3 0.12 0.07 0.19 -0.04 3.23 3.57 3hdnA1 TRP 281 HD1 0.14 0.04 -0.38 -0.04 7.22 6.98 3hdnA1 TRP 281 HE1 0.18 -0.00 -0.36 -0.04 10.20 9.98 3hdnA1 TRP 281 HE3 0.09 0.15 -0.03 -0.04 7.59 7.76 3hdnA1 TRP 281 HZ2 0.19 0.04 -0.06 -0.04 7.44 7.57 3hdnA1 TRP 281 HZ3 0.09 0.05 -0.66 -0.04 7.13 6.57 3hdnA1 TRP 281 HH2 0.07 0.11 -0.03 -0.04 7.19 7.30 3hdnA1 CYS 282 H 0.34 0.36 -0.21 -0.55 8.50 8.44 3hdnA1 CYS 282 HA 0.16 0.06 0.41 -0.75 4.58 4.45 3hdnA1 CYS 282 HB2 0.14 0.06 0.19 -0.04 2.97 3.32 3hdnA1 CYS 282 HB3 0.17 -0.04 0.00 -0.04 2.97 3.06 3hdnA1 LEU 283 H 0.14 0.57 -0.14 -0.55 8.37 8.40 3hdnA1 LEU 283 HA 0.09 -0.01 0.41 -0.75 4.35 4.08 3hdnA1 LEU 283 HB2 0.23 0.01 0.08 -0.04 1.64 1.91 3hdnA1 LEU 283 HB3 0.36 0.13 0.16 -0.04 1.64 2.25 3hdnA1 LEU 283 HG 0.24 -0.01 -0.25 -0.04 1.64 1.57 3hdnA1 LEU 283 HD13 0.22 -0.00 0.01 -0.04 0.93 1.12 3hdnA1 LEU 283 HD23 0.51 -0.00 -0.03 -0.04 0.89 1.32 3hdnA1 GLY 284 H 0.05 0.60 -0.22 -0.55 8.43 8.32 3hdnA1 GLY 284 HA2 -0.05 -0.06 0.33 -0.51 4.01 3.72 3hdnA1 GLY 284 HA3 -0.15 0.12 0.22 -0.51 4.01 3.69 3hdnA1 ALA 285 H -0.35 0.55 -0.27 -0.55 8.40 7.78 3hdnA1 ALA 285 HA -0.36 0.02 0.49 -0.75 4.34 3.74 3hdnA1 ALA 285 HB3 -0.76 0.03 0.07 -0.04 1.41 0.71 3hdnA1 VAL 286 H -0.25 0.63 -0.15 -0.55 8.24 7.93 3hdnA1 VAL 286 HA 0.14 0.00 0.40 -0.75 4.13 3.91 3hdnA1 VAL 286 HB 0.08 0.15 0.16 -0.04 2.12 2.47 3hdnA1 VAL 286 HG13 0.29 -0.03 -0.21 -0.04 0.97 0.99 3hdnA1 VAL 286 HG23 0.19 0.03 -0.10 -0.04 0.95 1.03 3hdnA1 LEU 287 H 0.02 0.60 -0.11 -0.55 8.37 8.33 3hdnA1 LEU 287 HA 0.07 0.00 0.38 -0.75 4.35 4.05 3hdnA1 LEU 287 HB2 0.06 -0.02 0.03 -0.04 1.64 1.68 3hdnA1 LEU 287 HB3 -0.03 0.12 0.09 -0.04 1.64 1.78 3hdnA1 LEU 287 HG -0.15 0.03 -0.26 -0.04 1.64 1.21 3hdnA1 LEU 287 HD13 -0.01 -0.02 -0.10 -0.04 0.93 0.77 3hdnA1 LEU 287 HD23 -0.39 -0.02 -0.08 -0.04 0.89 0.36 3hdnA1 TYR 288 H 0.05 0.57 -0.19 -0.55 8.29 8.17 3hdnA1 TYR 288 HA 0.02 -0.02 0.41 -0.75 4.56 4.22 3hdnA1 TYR 288 HB2 -0.12 0.06 0.14 -0.04 3.06 3.09 3hdnA1 TYR 288 HB3 -0.11 0.11 0.20 -0.04 2.98 3.13 3hdnA1 TYR 288 HD2 -0.03 0.08 -0.20 -0.04 7.15 6.96 3hdnA1 TYR 288 HE2 -0.22 0.08 -0.14 -0.04 6.85 6.52 3hdnA1 GLU 289 H 0.19 0.56 -0.19 -0.55 8.60 8.61 3hdnA1 GLU 289 HA 0.21 0.18 0.28 -0.75 4.29 4.21 3hdnA1 GLU 289 HB2 0.33 0.03 -0.08 -0.04 2.09 2.33 3hdnA1 GLU 289 HB3 0.40 0.05 -0.02 -0.04 1.99 2.38 3hdnA1 GLU 289 HG2 0.28 0.01 -0.32 -0.04 2.34 2.28 3hdnA1 GLU 289 HG3 0.19 -0.08 -0.53 -0.04 2.34 1.88 3hdnA1 MET 290 H 0.03 0.49 -0.25 -0.55 8.47 8.19 3hdnA1 MET 290 HA -0.29 0.02 0.36 -0.75 4.52 3.86 3hdnA1 MET 290 HB2 0.06 0.10 0.14 -0.04 2.15 2.41 3hdnA1 MET 290 HB3 0.21 -0.10 -0.04 -0.04 2.03 2.06 3hdnA1 MET 290 HG2 -0.12 -0.04 -0.06 -0.04 2.63 2.37 3hdnA1 MET 290 HG3 0.01 0.19 -0.05 -0.04 2.56 2.67 3hdnA1 MET 290 HE3 0.20 -0.00 -0.18 -0.04 2.10 2.08 3hdnA1 LEU 291 H -0.15 0.41 -0.27 -0.55 8.37 7.81 3hdnA1 LEU 291 HA -0.20 0.14 0.66 -0.75 4.35 4.19 3hdnA1 LEU 291 HB2 -0.62 0.09 0.11 -0.04 1.64 1.18 3hdnA1 LEU 291 HB3 -0.60 -0.04 0.02 -0.04 1.64 0.98 3hdnA1 LEU 291 HG -0.14 0.11 -0.01 -0.04 1.64 1.56 3hdnA1 LEU 291 HD13 -0.27 -0.04 -0.08 -0.04 0.93 0.50 3hdnA1 LEU 291 HD23 -0.08 -0.00 -0.06 -0.04 0.89 0.70 3hdnA1 TYR 292 H -0.18 0.43 0.01 -0.55 8.29 8.00 3hdnA1 TYR 292 HA -0.18 0.16 0.74 -0.75 4.56 4.53 3hdnA1 TYR 292 HB2 -0.48 0.18 0.11 -0.04 3.06 2.83 3hdnA1 TYR 292 HB3 -0.22 -0.07 0.06 -0.04 2.98 2.70 3hdnA1 TYR 292 HD2 -0.93 0.07 0.04 -0.04 7.15 6.29 3hdnA1 TYR 292 HE2 -0.32 0.03 -0.04 -0.04 6.85 6.48 3hdnA1 GLY 293 H -0.04 0.51 0.08 -0.55 8.43 8.43 3hdnA1 GLY 293 HA2 -0.10 0.14 0.38 -0.51 4.01 3.92 3hdnA1 GLY 293 HA3 -0.06 0.13 0.71 -0.51 4.01 4.29 3hdnA1 LEU 294 H 0.08 0.16 -0.24 -0.55 8.37 7.82 3hdnA1 LEU 294 HA -0.04 0.15 0.72 -0.75 4.35 4.42 3hdnA1 LEU 294 HB2 -0.03 -0.02 -0.07 -0.04 1.64 1.47 3hdnA1 LEU 294 HB3 -0.23 0.04 0.00 -0.04 1.64 1.40 3hdnA1 LEU 294 HG -0.16 0.08 -0.30 -0.04 1.64 1.22 3hdnA1 LEU 294 HD13 -0.25 -0.03 -0.08 -0.04 0.93 0.54 3hdnA1 LEU 294 HD23 -0.64 -0.00 0.06 -0.04 0.89 0.26 3hdnA1 PRO 295 HA 0.28 0.10 0.42 -0.51 4.44 4.73 3hdnA1 PRO 295 HB2 0.34 0.16 -0.05 -0.04 2.28 2.69 3hdnA1 PRO 295 HB3 0.47 -0.03 0.04 -0.04 2.02 2.46 3hdnA1 PRO 295 HG2 0.38 -0.02 0.00 -0.04 2.03 2.35 3hdnA1 PRO 295 HG3 0.23 0.01 0.03 -0.04 2.03 2.26 3hdnA1 PRO 295 HD2 -0.26 0.07 0.18 -0.04 3.68 3.63 3hdnA1 PRO 295 HD3 0.06 0.13 0.12 -0.04 3.65 3.92 3hdnA1 PRO 296 HA -1.01 0.05 0.48 -0.51 4.44 3.45 3hdnA1 PRO 296 HB2 -0.87 0.08 -0.05 -0.04 2.28 1.40 3hdnA1 PRO 296 HB3 -1.52 0.02 0.09 -0.04 2.02 0.57 3hdnA1 PRO 296 HG2 -0.06 0.04 0.06 -0.04 2.03 2.02 3hdnA1 PRO 296 HG3 -0.49 0.01 0.07 -0.04 2.03 1.59 3hdnA1 PRO 296 HD2 0.04 0.04 0.21 -0.04 3.68 3.94 3hdnA1 PRO 296 HD3 -0.15 0.16 0.22 -0.04 3.65 3.83 3hdnA1 PHE 297 H -0.53 0.13 0.15 -0.55 8.34 7.54 3hdnA1 PHE 297 HA 0.02 0.02 0.28 -0.75 4.62 4.19 3hdnA1 PHE 297 HB2 0.11 0.17 0.02 -0.04 3.15 3.41 3hdnA1 PHE 297 HB3 0.07 -0.09 0.06 -0.04 3.06 3.06 3hdnA1 PHE 297 HD2 0.10 0.03 -0.24 -0.04 7.28 7.13 3hdnA1 PHE 297 HE2 0.06 0.06 -0.17 -0.04 7.38 7.29 3hdnA1 PHE 297 HZ 0.09 -0.01 -0.01 -0.04 7.32 7.35 3hdnA1 TYR 298 H 0.18 0.19 -0.36 -0.55 8.29 7.76 3hdnA1 TYR 298 HA 0.09 0.00 0.19 -0.75 4.56 4.08 3hdnA1 TYR 298 HB2 0.08 0.18 -0.01 -0.04 3.06 3.27 3hdnA1 TYR 298 HB3 0.05 -0.04 -0.01 -0.04 2.98 2.93 3hdnA1 TYR 298 HD2 0.04 -0.00 -0.13 -0.04 7.15 7.02 3hdnA1 TYR 298 HE2 0.01 -0.03 -0.09 -0.04 6.85 6.70 3hdnA1 SER 299 H -0.69 0.29 0.17 -0.55 8.46 7.68 3hdnA1 SER 299 HA -0.35 0.07 0.35 -0.75 4.49 3.81 3hdnA1 SER 299 HB2 -0.10 0.23 -0.08 -0.04 3.95 3.96 3hdnA1 SER 299 HB3 -0.18 0.08 -0.03 -0.04 3.93 3.77 3hdnA1 ARG 300 H -0.26 0.17 0.12 -0.55 8.46 7.94 3hdnA1 ARG 300 HA -0.22 0.11 0.57 -0.75 4.34 4.04 3hdnA1 ARG 300 HB2 -0.15 0.06 0.14 -0.04 1.90 1.91 3hdnA1 ARG 300 HB3 -0.28 -0.03 0.12 -0.04 1.80 1.58 3hdnA1 ARG 300 HG2 -0.58 -0.06 -0.05 -0.04 1.67 0.94 3hdnA1 ARG 300 HG3 -0.16 0.03 0.10 -0.04 1.67 1.59 3hdnA1 ARG 300 HD2 -0.16 0.05 0.02 -0.04 3.22 3.09 3hdnA1 ARG 300 HD3 -0.30 0.00 0.02 -0.04 3.22 2.90 3hdnA1 ASN 301 H -0.10 0.07 -0.05 -0.55 8.53 7.90 3hdnA1 ASN 301 HA 0.41 0.20 0.82 -0.75 4.76 5.44 3hdnA1 ASN 301 HB2 0.26 0.05 0.10 -0.04 2.88 3.26 3hdnA1 ASN 301 HB3 0.04 -0.03 0.14 -0.04 2.79 2.90 3hdnA1 ASN 301 HD21 0.00 0.03 0.01 -0.04 7.03 7.04 3hdnA1 ASN 301 HD22 0.35 0.03 0.02 -0.04 7.74 8.10 3hdnA1 THR 302 H 0.00 0.70 0.36 -0.55 8.28 8.80 3hdnA1 THR 302 HA -0.26 0.10 0.33 -0.75 4.39 3.80 3hdnA1 THR 302 HB -0.19 0.01 0.12 -0.04 4.32 4.22 3hdnA1 THR 302 HG23 -0.42 -0.01 -0.01 -0.04 1.22 0.74 3hdnA1 ALA 303 H -0.12 0.14 -0.02 -0.55 8.40 7.86 3hdnA1 ALA 303 HA -0.08 0.13 0.45 -0.75 4.34 4.09 3hdnA1 ALA 303 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 3hdnA1 GLU 304 H -0.06 0.04 -0.31 -0.55 8.60 7.72 3hdnA1 GLU 304 HA -0.01 0.07 0.50 -0.75 4.29 4.09 3hdnA1 GLU 304 HB2 -0.04 0.06 0.10 -0.04 2.09 2.17 3hdnA1 GLU 304 HB3 -0.02 0.07 -0.03 -0.04 1.99 1.97 3hdnA1 GLU 304 HG2 0.00 0.05 0.03 -0.04 2.34 2.38 3hdnA1 GLU 304 HG3 0.01 -0.07 0.01 -0.04 2.34 2.25 3hdnA1 MET 305 H -0.15 0.34 -0.26 -0.55 8.47 7.85 3hdnA1 MET 305 HA -0.00 0.24 0.44 -0.75 4.52 4.45 3hdnA1 MET 305 HB2 -0.18 -0.00 0.10 -0.04 2.15 2.03 3hdnA1 MET 305 HB3 -0.26 0.11 0.16 -0.04 2.03 1.99 3hdnA1 MET 305 HG2 0.10 -0.00 -0.16 -0.04 2.63 2.53 3hdnA1 MET 305 HG3 0.07 0.25 -0.10 -0.04 2.56 2.74 3hdnA1 MET 305 HE3 0.01 -0.00 -0.01 -0.04 2.10 2.06 3hdnA1 TYR 306 H -0.23 0.46 -0.04 -0.55 8.29 7.92 3hdnA1 TYR 306 HA -0.02 0.06 0.46 -0.75 4.56 4.30 3hdnA1 TYR 306 HB2 -0.04 0.07 0.13 -0.04 3.06 3.18 3hdnA1 TYR 306 HB3 -0.07 -0.02 0.01 -0.04 2.98 2.87 3hdnA1 TYR 306 HD2 -0.02 -0.02 -0.01 -0.04 7.15 7.06 3hdnA1 TYR 306 HE2 -0.00 -0.02 -0.04 -0.04 6.85 6.74 3hdnA1 ASP 307 H 0.05 0.37 -0.30 -0.55 8.40 7.98 3hdnA1 ASP 307 HA 0.00 0.00 0.38 -0.75 4.63 4.26 3hdnA1 ASP 307 HB2 0.02 0.15 0.18 -0.04 2.71 3.02 3hdnA1 ASP 307 HB3 0.01 0.09 0.07 -0.04 2.70 2.83 3hdnA1 ASN 308 H 0.03 0.46 -0.24 -0.55 8.53 8.24 3hdnA1 ASN 308 HA 0.03 -0.08 0.59 -0.75 4.76 4.55 3hdnA1 ASN 308 HB2 0.14 0.29 0.27 -0.04 2.88 3.54 3hdnA1 ASN 308 HB3 0.29 -0.08 0.06 -0.04 2.79 3.01 3hdnA1 ASN 308 HD21 0.03 -0.19 -0.11 -0.04 7.03 6.73 3hdnA1 ASN 308 HD22 0.07 0.32 -0.06 -0.04 7.74 8.03 3hdnA1 ILE 309 H -0.06 0.52 -0.03 -0.55 8.25 8.14 3hdnA1 ILE 309 HA -1.21 0.01 0.31 -0.75 4.18 2.53 3hdnA1 ILE 309 HB -0.04 0.10 0.15 -0.04 1.89 2.06 3hdnA1 ILE 309 HG12 0.33 -0.05 -0.00 -0.04 1.49 1.73 3hdnA1 ILE 309 HG13 0.14 0.17 0.12 -0.04 1.21 1.59 3hdnA1 ILE 309 HG23 -0.10 0.01 -0.08 -0.04 0.93 0.72 3hdnA1 ILE 309 HD13 0.28 -0.01 -0.04 -0.04 0.88 1.07 3hdnA1 LEU 310 H -0.12 0.30 -0.40 -0.55 8.37 7.61 3hdnA1 LEU 310 HA -0.11 0.03 0.50 -0.75 4.35 4.01 3hdnA1 LEU 310 HB2 -0.06 0.06 0.09 -0.04 1.64 1.69 3hdnA1 LEU 310 HB3 -0.04 -0.07 -0.00 -0.04 1.64 1.49 3hdnA1 LEU 310 HG -0.12 0.07 0.00 -0.04 1.64 1.55 3hdnA1 LEU 310 HD13 -0.14 -0.02 -0.10 -0.04 0.93 0.63 3hdnA1 LEU 310 HD23 -0.15 -0.03 -0.01 -0.04 0.89 0.66 3hdnA1 ASN 311 H -0.07 0.33 -0.03 -0.55 8.53 8.21 3hdnA1 ASN 311 HA -0.01 0.14 0.78 -0.75 4.76 4.91 3hdnA1 ASN 311 HB2 -0.00 0.09 0.08 -0.04 2.88 3.00 3hdnA1 ASN 311 HB3 0.00 -0.09 0.04 -0.04 2.79 2.70 3hdnA1 ASN 311 HD21 -0.02 -0.07 -0.00 -0.04 7.03 6.90 3hdnA1 ASN 311 HD22 -0.01 0.07 0.08 -0.04 7.74 7.84 3hdnA1 LYS 312 H -0.02 0.36 0.24 -0.55 8.42 8.44 3hdnA1 LYS 312 HA 0.06 0.07 0.65 -0.75 4.32 4.35 3hdnA1 LYS 312 HB2 0.07 -0.09 0.13 -0.04 1.87 1.94 3hdnA1 LYS 312 HB3 0.16 0.05 0.18 -0.04 1.79 2.14 3hdnA1 LYS 312 HG2 0.13 0.19 -0.09 -0.04 1.46 1.65 3hdnA1 LYS 312 HG3 0.08 -0.07 0.05 -0.04 1.46 1.47 3hdnA1 LYS 312 HD2 0.09 -0.06 0.01 -0.04 1.69 1.69 3hdnA1 LYS 312 HD3 0.20 -0.01 -0.01 -0.04 1.68 1.82 3hdnA1 LYS 312 HE2 0.08 0.06 -0.00 -0.04 2.99 3.09 3hdnA1 LYS 312 HE3 0.06 -0.04 -0.00 -0.04 2.99 2.97 3hdnA1 PRO 313 HA 0.14 0.03 0.37 -0.51 4.44 4.47 3hdnA1 PRO 313 HB2 0.07 0.04 -0.11 -0.04 2.28 2.24 3hdnA1 PRO 313 HB3 0.07 0.00 0.09 -0.04 2.02 2.14 3hdnA1 PRO 313 HG2 0.07 -0.01 0.05 -0.04 2.03 2.09 3hdnA1 PRO 313 HG3 0.05 0.00 0.07 -0.04 2.03 2.11 3hdnA1 PRO 313 HD2 0.07 0.02 0.26 -0.04 3.68 3.99 3hdnA1 PRO 313 HD3 0.05 0.22 0.26 -0.04 3.65 4.15 3hdnA1 LEU 314 H 0.19 0.10 0.14 -0.55 8.37 8.24 3hdnA1 LEU 314 HA 0.06 0.07 0.47 -0.75 4.35 4.19 3hdnA1 LEU 314 HB2 0.24 0.11 0.11 -0.04 1.64 2.07 3hdnA1 LEU 314 HB3 0.09 -0.05 0.16 -0.04 1.64 1.79 3hdnA1 LEU 314 HG -0.04 -0.06 -0.42 -0.04 1.64 1.08 3hdnA1 LEU 314 HD13 -0.41 0.00 -0.07 -0.04 0.93 0.42 3hdnA1 LEU 314 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.68 3hdnA1 GLN 315 H -0.05 0.21 0.20 -0.55 8.47 8.28 3hdnA1 GLN 315 HA -0.00 0.11 0.84 -0.75 4.36 4.56 3hdnA1 GLN 315 HB2 -0.02 0.00 0.14 -0.04 2.15 2.23 3hdnA1 GLN 315 HB3 -0.03 -0.02 -0.07 -0.04 2.02 1.87 3hdnA1 GLN 315 HG2 0.01 -0.02 -0.06 -0.04 2.40 2.29 3hdnA1 GLN 315 HG3 0.03 0.14 -0.18 -0.04 2.39 2.34 3hdnA1 GLN 315 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.89 3hdnA1 GLN 315 HE22 0.02 -0.01 -0.04 -0.04 7.69 7.62 3hdnA1 LEU 316 H -0.01 0.21 0.07 -0.55 8.37 8.09 3hdnA1 LEU 316 HA -0.16 0.13 0.84 -0.75 4.35 4.41 3hdnA1 LEU 316 HB2 0.03 -0.04 0.09 -0.04 1.64 1.68 3hdnA1 LEU 316 HB3 0.08 0.06 -0.02 -0.04 1.64 1.72 3hdnA1 LEU 316 HG 0.02 -0.01 -0.30 -0.04 1.64 1.31 3hdnA1 LEU 316 HD13 0.02 -0.03 -0.04 -0.04 0.93 0.84 3hdnA1 LEU 316 HD23 0.17 0.01 -0.10 -0.04 0.89 0.94 3hdnA1 LYS 317 H -0.37 0.14 0.10 -0.55 8.42 7.73 3hdnA1 LYS 317 HA -0.02 0.06 0.47 -0.75 4.32 4.07 3hdnA1 LYS 317 HB2 0.04 0.04 0.09 -0.04 1.87 1.99 3hdnA1 LYS 317 HB3 0.03 0.04 0.09 -0.04 1.79 1.90 3hdnA1 LYS 317 HG2 -0.07 -0.03 -0.02 -0.04 1.46 1.30 3hdnA1 LYS 317 HG3 -0.23 0.00 0.01 -0.04 1.46 1.20 3hdnA1 LYS 317 HD2 -0.08 0.05 0.02 -0.04 1.69 1.64 3hdnA1 LYS 317 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 3hdnA1 LYS 317 HE2 -0.03 -0.00 -0.01 -0.04 2.99 2.91 3hdnA1 LYS 317 HE3 -0.04 -0.04 -0.02 -0.04 2.99 2.85 3hdnA1 PRO 318 HA 0.03 0.07 0.54 -0.51 4.44 4.57 3hdnA1 PRO 318 HB2 0.02 0.04 0.00 -0.04 2.28 2.30 3hdnA1 PRO 318 HB3 0.01 -0.03 0.16 -0.04 2.02 2.12 3hdnA1 PRO 318 HG2 0.01 0.03 0.07 -0.04 2.03 2.10 3hdnA1 PRO 318 HG3 0.01 0.05 0.09 -0.04 2.03 2.14 3hdnA1 PRO 318 HD2 0.02 0.10 0.17 -0.04 3.68 3.93 3hdnA1 PRO 318 HD3 0.01 0.15 0.21 -0.04 3.65 3.97 3hdnA1 ASN 319 H 0.01 0.09 0.13 -0.55 8.53 8.21 3hdnA1 ASN 319 HA -0.02 -0.04 0.30 -0.75 4.76 4.25 3hdnA1 ASN 319 HB2 -0.01 0.35 0.25 -0.04 2.88 3.43 3hdnA1 ASN 319 HB3 -0.04 -0.02 0.20 -0.04 2.79 2.89 3hdnA1 ASN 319 HD21 0.00 -0.04 -0.09 -0.04 7.03 6.85 3hdnA1 ASN 319 HD22 0.01 0.13 -0.12 -0.04 7.74 7.71 3hdnA1 ILE 320 H -0.01 0.17 -0.21 -0.55 8.25 7.65 3hdnA1 ILE 320 HA -0.06 0.14 0.63 -0.75 4.18 4.13 3hdnA1 ILE 320 HB -0.11 -0.14 0.04 -0.04 1.89 1.64 3hdnA1 ILE 320 HG12 0.02 0.26 -0.12 -0.04 1.49 1.62 3hdnA1 ILE 320 HG13 -0.00 -0.08 -0.13 -0.04 1.21 0.96 3hdnA1 ILE 320 HG23 -0.36 0.04 -0.17 -0.04 0.93 0.41 3hdnA1 ILE 320 HD13 -0.05 -0.04 -0.23 -0.04 0.88 0.51 3hdnA1 THR 321 H 0.00 0.12 0.11 -0.55 8.28 7.97 3hdnA1 THR 321 HA 0.01 0.14 0.33 -0.75 4.39 4.12 3hdnA1 THR 321 HB 0.03 -0.04 0.15 -0.04 4.32 4.42 3hdnA1 THR 321 HG23 0.01 0.05 0.08 -0.04 1.22 1.31 3hdnA1 ASN 322 H 0.03 0.19 0.19 -0.55 8.53 8.39 3hdnA1 ASN 322 HA 0.05 0.16 0.46 -0.75 4.76 4.67 3hdnA1 ASN 322 HB2 0.02 -0.03 0.13 -0.04 2.88 2.96 3hdnA1 ASN 322 HB3 0.03 0.06 0.04 -0.04 2.79 2.88 3hdnA1 ASN 322 HD21 0.01 0.05 0.04 -0.04 7.03 7.09 3hdnA1 ASN 322 HD22 0.01 0.00 0.05 -0.04 7.74 7.76 3hdnA1 SER 323 H 0.08 0.10 -0.13 -0.55 8.46 7.96 3hdnA1 SER 323 HA 0.16 0.09 0.43 -0.75 4.49 4.42 3hdnA1 SER 323 HB2 0.17 -0.01 0.03 -0.04 3.95 4.10 3hdnA1 SER 323 HB3 0.31 -0.02 -0.14 -0.04 3.93 4.04 3hdnA1 ALA 324 H 0.14 0.06 -0.27 -0.55 8.40 7.78 3hdnA1 ALA 324 HA -0.57 0.05 0.45 -0.75 4.34 3.51 3hdnA1 ALA 324 HB3 -0.07 0.05 0.03 -0.04 1.41 1.38 3hdnA1 ARG 325 H 0.02 0.58 -0.18 -0.55 8.46 8.33 3hdnA1 ARG 325 HA 0.00 0.07 0.36 -0.75 4.34 4.02 3hdnA1 ARG 325 HB2 0.06 0.03 0.16 -0.04 1.90 2.11 3hdnA1 ARG 325 HB3 0.04 -0.01 -0.03 -0.04 1.80 1.77 3hdnA1 ARG 325 HG2 0.03 0.02 -0.09 -0.04 1.67 1.59 3hdnA1 ARG 325 HG3 0.02 0.22 -0.25 -0.04 1.67 1.62 3hdnA1 ARG 325 HD2 0.03 0.04 -0.06 -0.04 3.22 3.18 3hdnA1 ARG 325 HD3 0.03 -0.11 -0.05 -0.04 3.22 3.05 3hdnA1 HIS 326 H 0.16 0.58 -0.14 -0.55 8.41 8.47 3hdnA1 HIS 326 HA 0.05 0.07 0.40 -0.75 4.63 4.39 3hdnA1 HIS 326 HB2 0.06 0.05 0.11 -0.04 3.26 3.44 3hdnA1 HIS 326 HB3 0.17 -0.01 0.12 -0.04 3.20 3.43 3hdnA1 HIS 326 HD2 0.04 0.02 0.01 -0.04 6.97 6.99 3hdnA1 HIS 326 HE1 0.08 0.00 -0.02 -0.04 7.75 7.77 3hdnA1 LEU 327 H 0.05 0.48 -0.17 -0.55 8.37 8.19 3hdnA1 LEU 327 HA -0.32 0.02 0.51 -0.75 4.35 3.81 3hdnA1 LEU 327 HB2 -0.54 -0.06 0.12 -0.04 1.64 1.12 3hdnA1 LEU 327 HB3 -0.42 0.12 0.15 -0.04 1.64 1.44 3hdnA1 LEU 327 HG -0.25 0.02 -0.23 -0.04 1.64 1.13 3hdnA1 LEU 327 HD13 -0.40 -0.02 0.02 -0.04 0.93 0.50 3hdnA1 LEU 327 HD23 -0.43 -0.01 -0.08 -0.04 0.89 0.33 3hdnA1 LEU 328 H -0.14 0.55 -0.14 -0.55 8.37 8.09 3hdnA1 LEU 328 HA -0.11 -0.00 0.42 -0.75 4.35 3.90 3hdnA1 LEU 328 HB2 -0.03 0.11 0.10 -0.04 1.64 1.78 3hdnA1 LEU 328 HB3 0.01 0.01 -0.02 -0.04 1.64 1.59 3hdnA1 LEU 328 HG -0.19 0.01 0.03 -0.04 1.64 1.46 3hdnA1 LEU 328 HD13 -0.00 -0.00 -0.10 -0.04 0.93 0.79 3hdnA1 LEU 328 HD23 -0.03 -0.04 -0.02 -0.04 0.89 0.75 3hdnA1 GLU 329 H -0.07 0.45 -0.22 -0.55 8.60 8.21 3hdnA1 GLU 329 HA -0.03 0.07 0.41 -0.75 4.29 3.99 3hdnA1 GLU 329 HB2 -0.14 0.07 0.14 -0.04 2.09 2.11 3hdnA1 GLU 329 HB3 -0.08 -0.04 -0.03 -0.04 1.99 1.79 3hdnA1 GLU 329 HG2 -0.01 -0.01 0.03 -0.04 2.34 2.32 3hdnA1 GLU 329 HG3 -0.01 0.06 0.05 -0.04 2.34 2.39 3hdnA1 GLY 330 H -0.14 0.31 -0.39 -0.55 8.43 7.67 3hdnA1 GLY 330 HA2 -0.05 0.07 0.50 -0.51 4.01 4.02 3hdnA1 GLY 330 HA3 -0.08 0.00 0.34 -0.51 4.01 3.76 3hdnA1 LEU 331 H -0.07 0.65 0.07 -0.55 8.37 8.48 3hdnA1 LEU 331 HA 0.07 0.02 0.49 -0.75 4.35 4.18 3hdnA1 LEU 331 HB2 -0.07 0.04 0.13 -0.04 1.64 1.70 3hdnA1 LEU 331 HB3 0.02 0.04 0.08 -0.04 1.64 1.74 3hdnA1 LEU 331 HG -0.06 0.01 0.03 -0.04 1.64 1.58 3hdnA1 LEU 331 HD13 0.06 -0.03 -0.08 -0.04 0.93 0.84 3hdnA1 LEU 331 HD23 0.10 0.02 0.00 -0.04 0.89 0.97 3hdnA1 LEU 332 H -0.07 0.54 -0.24 -0.55 8.37 8.06 3hdnA1 LEU 332 HA -0.40 0.15 0.78 -0.75 4.35 4.12 3hdnA1 LEU 332 HB2 -0.16 0.17 0.10 -0.04 1.64 1.71 3hdnA1 LEU 332 HB3 -0.35 -0.03 0.14 -0.04 1.64 1.36 3hdnA1 LEU 332 HG -0.34 -0.10 -0.13 -0.04 1.64 1.03 3hdnA1 LEU 332 HD13 -0.35 -0.01 -0.08 -0.04 0.93 0.45 3hdnA1 LEU 332 HD23 -1.24 0.00 -0.13 -0.04 0.89 -0.52 3hdnA1 GLN 333 H 0.18 0.17 -0.66 -0.55 8.47 7.62 3hdnA1 GLN 333 HA 0.18 0.05 0.63 -0.75 4.36 4.47 3hdnA1 GLN 333 HB2 0.15 -0.04 0.02 -0.04 2.15 2.24 3hdnA1 GLN 333 HB3 0.12 -0.08 -0.12 -0.04 2.02 1.90 3hdnA1 GLN 333 HG2 0.06 0.31 0.09 -0.04 2.40 2.82 3hdnA1 GLN 333 HG3 0.05 0.04 -0.05 -0.04 2.39 2.40 3hdnA1 GLN 333 HE21 0.03 -0.09 0.01 -0.04 6.97 6.88 3hdnA1 GLN 333 HE22 0.01 0.24 -0.00 -0.04 7.69 7.90 3hdnA1 LYS 334 H 0.19 0.15 0.16 -0.55 8.42 8.36 3hdnA1 LYS 334 HA 0.08 0.10 0.39 -0.75 4.32 4.13 3hdnA1 LYS 334 HB2 0.05 -0.10 0.12 -0.04 1.87 1.91 3hdnA1 LYS 334 HB3 -0.02 0.01 0.08 -0.04 1.79 1.82 3hdnA1 LYS 334 HG2 0.12 0.11 0.07 -0.04 1.46 1.72 3hdnA1 LYS 334 HG3 0.21 -0.04 0.11 -0.04 1.46 1.69 3hdnA1 LYS 334 HD2 0.03 -0.13 -0.01 -0.04 1.69 1.54 3hdnA1 LYS 334 HD3 -0.05 0.20 0.01 -0.04 1.68 1.80 3hdnA1 LYS 334 HE2 0.13 -0.21 -0.06 -0.04 2.99 2.81 3hdnA1 LYS 334 HE3 0.02 -0.03 -0.45 -0.04 2.99 2.49 3hdnA1 ASP 335 H 0.06 0.08 -0.08 -0.55 8.40 7.92 3hdnA1 ASP 335 HA -0.02 0.11 0.70 -0.75 4.63 4.67 3hdnA1 ASP 335 HB2 0.01 0.10 0.09 -0.04 2.71 2.87 3hdnA1 ASP 335 HB3 0.03 -0.00 0.13 -0.04 2.70 2.81 3hdnA1 ARG 336 H -0.01 0.22 0.15 -0.55 8.46 8.27 3hdnA1 ARG 336 HA 0.09 0.19 0.40 -0.75 4.34 4.26 3hdnA1 ARG 336 HB2 0.06 -0.04 0.09 -0.04 1.90 1.97 3hdnA1 ARG 336 HB3 0.00 0.08 0.06 -0.04 1.80 1.90 3hdnA1 ARG 336 HG2 -0.04 0.01 0.06 -0.04 1.67 1.66 3hdnA1 ARG 336 HG3 -0.00 0.02 -0.19 -0.04 1.67 1.46 3hdnA1 ARG 336 HD2 0.00 -0.08 -0.04 -0.04 3.22 3.06 3hdnA1 ARG 336 HD3 -0.04 -0.02 -0.02 -0.04 3.22 3.10 3hdnA1 THR 337 H 0.01 0.05 -0.32 -0.55 8.28 7.47 3hdnA1 THR 337 HA 0.03 0.19 0.77 -0.75 4.39 4.62 3hdnA1 THR 337 HB 0.01 0.04 0.08 -0.04 4.32 4.40 3hdnA1 THR 337 HG23 -0.00 0.00 -0.03 -0.04 1.22 1.15 3hdnA1 LYS 338 H 0.04 0.23 -0.28 -0.55 8.42 7.86 3hdnA1 LYS 338 HA 0.03 0.16 0.80 -0.75 4.32 4.56 3hdnA1 LYS 338 HB2 0.04 0.06 0.05 -0.04 1.87 1.99 3hdnA1 LYS 338 HB3 0.04 0.01 0.07 -0.04 1.79 1.87 3hdnA1 LYS 338 HG2 0.02 0.04 -0.03 -0.04 1.46 1.45 3hdnA1 LYS 338 HG3 0.02 -0.10 -0.16 -0.04 1.46 1.18 3hdnA1 LYS 338 HD2 0.03 -0.03 0.01 -0.04 1.69 1.66 3hdnA1 LYS 338 HD3 0.02 0.02 0.01 -0.04 1.68 1.69 3hdnA1 LYS 338 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.90 3hdnA1 LYS 338 HE3 0.01 0.02 -0.00 -0.04 2.99 2.98 3hdnA1 ARG 339 H 0.08 -0.02 -0.19 -0.55 8.46 7.77 3hdnA1 ARG 339 HA 0.09 0.18 0.40 -0.75 4.34 4.25 3hdnA1 ARG 339 HB2 0.16 0.04 0.05 -0.04 1.90 2.11 3hdnA1 ARG 339 HB3 0.16 -0.07 -0.08 -0.04 1.80 1.77 3hdnA1 ARG 339 HG2 0.20 0.03 -0.00 -0.04 1.67 1.86 3hdnA1 ARG 339 HG3 0.22 0.00 0.08 -0.04 1.67 1.92 3hdnA1 ARG 339 HD2 0.32 -0.06 0.03 -0.04 3.22 3.48 3hdnA1 ARG 339 HD3 0.43 0.06 0.03 -0.04 3.22 3.71 3hdnA1 LEU 340 H 0.04 0.66 0.15 -0.55 8.37 8.67 3hdnA1 LEU 340 HA -0.03 -0.03 0.52 -0.75 4.35 4.05 3hdnA1 LEU 340 HB2 -0.02 0.02 -0.00 -0.04 1.64 1.60 3hdnA1 LEU 340 HB3 -0.06 0.01 -0.12 -0.04 1.64 1.43 3hdnA1 LEU 340 HG -0.14 -0.08 -0.28 -0.04 1.64 1.10 3hdnA1 LEU 340 HD13 0.06 0.01 -0.01 -0.04 0.93 0.96 3hdnA1 LEU 340 HD23 -0.06 0.02 -0.07 -0.04 0.89 0.74 3hdnA1 GLY 341 H -0.11 0.05 0.19 -0.55 8.43 8.02 3hdnA1 GLY 341 HA2 -0.25 0.00 0.32 -0.51 4.01 3.56 3hdnA1 GLY 341 HA3 -0.65 0.19 0.69 -0.51 4.01 3.73 3hdnA1 ALA 342 H -0.00 0.23 0.07 -0.55 8.40 8.16 3hdnA1 ALA 342 HA 0.10 0.12 0.69 -0.75 4.34 4.49 3hdnA1 ALA 342 HB3 0.05 0.04 -0.02 -0.04 1.41 1.44 3hdnA1 LYS 343 H 0.01 -0.01 0.08 -0.55 8.42 7.95 3hdnA1 LYS 343 HA 0.02 0.23 0.61 -0.75 4.32 4.43 3hdnA1 ASP 344 H -0.01 -0.08 -0.08 -0.55 8.40 7.68 3hdnA1 ASP 344 HA 0.02 0.32 0.81 -0.75 4.63 5.03 3hdnA1 ASP 344 HB2 -0.03 -0.05 -0.06 -0.04 2.71 2.53 3hdnA1 ASP 344 HB3 -0.02 -0.04 0.07 -0.04 2.70 2.67 3hdnA1 ASP 345 H 0.03 0.13 -0.39 -0.55 8.40 7.63 3hdnA1 ASP 345 HA 0.15 0.31 0.34 -0.75 4.63 4.68 3hdnA1 ASP 345 HB2 0.19 0.11 -0.11 -0.04 2.71 2.87 3hdnA1 ASP 345 HB3 0.22 0.03 -0.01 -0.04 2.70 2.90 3hdnA1 PHE 346 H 0.39 0.24 0.22 -0.55 8.34 8.64 3hdnA1 PHE 346 HA -0.36 0.05 0.33 -0.75 4.62 3.89 3hdnA1 PHE 346 HB2 0.37 0.02 0.19 -0.04 3.15 3.69 3hdnA1 PHE 346 HB3 0.07 0.08 0.14 -0.04 3.06 3.31 3hdnA1 PHE 346 HD2 0.08 0.03 -0.04 -0.04 7.28 7.31 3hdnA1 PHE 346 HE2 -0.27 -0.00 -0.21 -0.04 7.38 6.86 3hdnA1 PHE 346 HZ -0.94 0.04 -0.04 -0.04 7.32 6.34 3hdnA1 MET 347 H -0.02 0.37 -0.09 -0.55 8.47 8.18 3hdnA1 MET 347 HA -0.35 0.05 0.41 -0.75 4.52 3.87 3hdnA1 MET 347 HB2 -0.06 0.17 0.05 -0.04 2.15 2.27 3hdnA1 MET 347 HB3 -0.09 0.01 0.00 -0.04 2.03 1.91 3hdnA1 MET 347 HG2 0.03 -0.01 0.06 -0.04 2.63 2.66 3hdnA1 MET 347 HG3 -0.01 0.04 0.03 -0.04 2.56 2.57 3hdnA1 MET 347 HE3 -0.07 0.00 0.01 -0.04 2.10 2.00 3hdnA1 GLU 348 H -0.22 0.37 -0.53 -0.55 8.60 7.67 3hdnA1 GLU 348 HA -0.11 0.12 0.47 -0.75 4.29 4.02 3hdnA1 GLU 348 HB2 -0.27 0.21 0.01 -0.04 2.09 2.00 3hdnA1 GLU 348 HB3 -0.12 -0.01 -0.05 -0.04 1.99 1.77 3hdnA1 GLU 348 HG2 -0.06 0.12 -0.05 -0.04 2.34 2.31 3hdnA1 GLU 348 HG3 -0.09 -0.05 -0.16 -0.04 2.34 1.99 3hdnA1 ILE 349 H -0.51 0.21 -0.18 -0.55 8.25 7.22 3hdnA1 ILE 349 HA -0.11 0.06 0.51 -0.75 4.18 3.89 3hdnA1 ILE 349 HB -0.69 0.04 0.14 -0.04 1.89 1.34 3hdnA1 ILE 349 HG12 -0.54 0.01 -0.05 -0.04 1.49 0.87 3hdnA1 ILE 349 HG13 -0.33 -0.00 -0.10 -0.04 1.21 0.73 3hdnA1 ILE 349 HG23 -0.10 -0.00 -0.15 -0.04 0.93 0.63 3hdnA1 ILE 349 HD13 -1.43 -0.00 -0.18 -0.04 0.88 -0.77 3hdnA1 LYS 350 H -0.98 0.83 0.12 -0.55 8.42 7.83 3hdnA1 LYS 350 HA -1.12 0.01 0.34 -0.75 4.32 2.80 3hdnA1 LYS 350 HB2 -2.13 0.00 0.05 -0.04 1.87 -0.25 3hdnA1 LYS 350 HB3 -0.77 -0.00 0.08 -0.04 1.79 1.06 3hdnA1 LYS 350 HG2 -0.71 0.05 -0.15 -0.04 1.46 0.61 3hdnA1 LYS 350 HG3 -2.52 -0.04 0.03 -0.04 1.46 -1.11 3hdnA1 LYS 350 HD2 -0.40 -0.03 -0.05 -0.04 1.69 1.17 3hdnA1 LYS 350 HD3 -0.36 0.01 -0.05 -0.04 1.68 1.24 3hdnA1 LYS 350 HE2 -0.14 0.02 -0.03 -0.04 2.99 2.80 3hdnA1 LYS 350 HE3 -0.28 -0.06 -0.02 -0.04 2.99 2.59 3hdnA1 SER 351 H -0.22 0.27 -0.49 -0.55 8.46 7.48 3hdnA1 SER 351 HA 0.05 0.14 0.45 -0.75 4.49 4.38 3hdnA1 SER 351 HB2 -0.06 0.08 0.04 -0.04 3.95 3.97 3hdnA1 SER 351 HB3 -0.02 -0.07 0.11 -0.04 3.93 3.92 3hdnA1 HIS 352 H 0.23 0.43 -0.60 -0.55 8.41 7.92 3hdnA1 HIS 352 HA 0.08 0.05 0.49 -0.75 4.63 4.50 3hdnA1 HIS 352 HB2 0.13 0.21 0.18 -0.04 3.26 3.75 3hdnA1 HIS 352 HB3 0.37 -0.05 0.07 -0.04 3.20 3.54 3hdnA1 HIS 352 HD2 0.11 0.08 0.02 -0.04 6.97 7.14 3hdnA1 HIS 352 HE1 0.15 0.16 0.08 -0.04 7.75 8.09 3hdnA1 VAL 353 H -0.57 0.15 0.16 -0.55 8.24 7.44 3hdnA1 VAL 353 HA -0.00 0.16 0.31 -0.75 4.13 3.85 3hdnA1 VAL 353 HB -0.06 -0.02 0.05 -0.04 2.12 2.05 3hdnA1 VAL 353 HG13 -0.14 0.03 0.06 -0.04 0.97 0.89 3hdnA1 VAL 353 HG23 -0.29 -0.01 0.05 -0.04 0.95 0.66 3hdnA1 PHE 354 H 0.69 0.10 -0.26 -0.55 8.34 8.33 3hdnA1 PHE 354 HA -0.05 -0.00 0.43 -0.75 4.62 4.25 3hdnA1 PHE 354 HB2 0.03 0.04 -0.17 -0.04 3.15 3.02 3hdnA1 PHE 354 HB3 -0.19 0.06 -0.05 -0.04 3.06 2.83 3hdnA1 PHE 354 HD2 -0.95 -0.07 -0.21 -0.04 7.28 6.00 3hdnA1 PHE 354 HE2 -0.28 -0.02 -0.05 -0.04 7.38 7.00 3hdnA1 PHE 354 HZ -0.14 0.05 -0.05 -0.04 7.32 7.14 3hdnA1 PHE 355 H 0.35 0.31 -0.36 -0.55 8.34 8.09 3hdnA1 PHE 355 HA -0.12 0.09 0.67 -0.75 4.62 4.50 3hdnA1 PHE 355 HB2 0.40 0.24 0.06 -0.04 3.15 3.81 3hdnA1 PHE 355 HB3 0.29 -0.03 0.17 -0.04 3.06 3.45 3hdnA1 PHE 355 HD2 0.11 0.07 -0.04 -0.04 7.28 7.38 3hdnA1 PHE 355 HE2 0.17 0.07 -0.08 -0.04 7.38 7.50 3hdnA1 PHE 355 HZ 0.27 -0.01 -0.19 -0.04 7.32 7.35 3hdnA1 SER 356 H 0.03 0.28 -0.62 -0.55 8.46 7.61 3hdnA1 SER 356 HA 0.11 0.13 0.38 -0.75 4.49 4.36 3hdnA1 SER 356 HB2 -0.02 -0.01 0.10 -0.04 3.95 3.97 3hdnA1 SER 356 HB3 0.01 -0.04 -0.02 -0.04 3.93 3.84 3hdnA1 LEU 357 H -0.08 0.12 -0.21 -0.55 8.37 7.66 3hdnA1 LEU 357 HA -0.04 0.10 0.29 -0.75 4.35 3.94 3hdnA1 LEU 357 HB2 -0.13 0.02 -0.02 -0.04 1.64 1.47 3hdnA1 LEU 357 HB3 -0.08 0.00 0.10 -0.04 1.64 1.62 3hdnA1 LEU 357 HG -0.10 -0.03 0.02 -0.04 1.64 1.49 3hdnA1 LEU 357 HD13 -0.12 -0.00 0.01 -0.04 0.93 0.78 3hdnA1 LEU 357 HD23 -0.05 0.01 -0.04 -0.04 0.89 0.76 3hdnA1 ILE 358 H -0.06 0.39 -0.83 -0.55 8.25 7.19 3hdnA1 ILE 358 HA -0.23 0.06 0.63 -0.75 4.18 3.89 3hdnA1 ILE 358 HB -0.58 0.25 0.11 -0.04 1.89 1.63 3hdnA1 ILE 358 HG12 -0.09 -0.09 -0.14 -0.04 1.49 1.13 3hdnA1 ILE 358 HG13 -0.12 0.00 -0.07 -0.04 1.21 0.98 3hdnA1 ILE 358 HG23 -1.39 -0.05 -0.25 -0.04 0.93 -0.80 3hdnA1 ILE 358 HD13 -0.17 0.01 -0.20 -0.04 0.88 0.49 3hdnA1 ASN 359 H -0.14 0.22 0.11 -0.55 8.53 8.18 3hdnA1 ASN 359 HA 0.03 0.19 0.83 -0.75 4.76 5.05 3hdnA1 ASN 359 HB2 -0.00 0.15 0.09 -0.04 2.88 3.07 3hdnA1 ASN 359 HB3 -0.01 -0.03 0.22 -0.04 2.79 2.93 3hdnA1 ASN 359 HD21 0.04 0.02 0.01 -0.04 7.03 7.06 3hdnA1 ASN 359 HD22 0.03 0.09 0.02 -0.04 7.74 7.83 3hdnA1 TRP 360 H 0.28 0.37 0.04 -0.55 7.97 8.12 3hdnA1 TRP 360 HA 0.08 0.06 0.21 -0.75 4.62 4.22 3hdnA1 TRP 360 HB2 0.09 0.01 0.06 -0.04 3.23 3.35 3hdnA1 TRP 360 HB3 0.16 0.01 0.05 -0.04 3.23 3.40 3hdnA1 TRP 360 HD1 0.04 0.00 0.10 -0.04 7.22 7.31 3hdnA1 TRP 360 HE1 0.01 0.33 0.14 -0.04 10.20 10.64 3hdnA1 TRP 360 HE3 0.21 -0.05 0.01 -0.04 7.59 7.72 3hdnA1 TRP 360 HZ2 -0.33 0.12 0.04 -0.04 7.44 7.22 3hdnA1 TRP 360 HZ3 0.10 0.16 0.08 -0.04 7.13 7.42 3hdnA1 TRP 360 HH2 -0.81 -0.03 -0.05 -0.04 7.19 6.27 3hdnA1 ASP 361 H 0.20 0.08 -0.29 -0.55 8.40 7.84 3hdnA1 ASP 361 HA 0.13 0.13 0.49 -0.75 4.63 4.63 3hdnA1 ASP 361 HB2 0.08 0.02 -0.02 -0.04 2.71 2.74 3hdnA1 ASP 361 HB3 0.08 0.07 0.03 -0.04 2.70 2.84 3hdnA1 ASP 362 H 0.07 0.11 -0.15 -0.55 8.40 7.88 3hdnA1 ASP 362 HA 0.04 0.13 0.42 -0.75 4.63 4.46 3hdnA1 ASP 362 HB2 0.02 0.11 0.12 -0.04 2.71 2.92 3hdnA1 ASP 362 HB3 0.04 -0.07 -0.03 -0.04 2.70 2.61 3hdnA1 LEU 363 H 0.06 0.35 -0.27 -0.55 8.37 7.97 3hdnA1 LEU 363 HA 0.08 0.04 0.37 -0.75 4.35 4.09 3hdnA1 LEU 363 HB2 -0.12 0.02 -0.04 -0.04 1.64 1.45 3hdnA1 LEU 363 HB3 0.13 0.07 0.06 -0.04 1.64 1.85 3hdnA1 LEU 363 HG 0.04 0.03 -0.15 -0.04 1.64 1.52 3hdnA1 LEU 363 HD13 -0.36 0.01 -0.04 -0.04 0.93 0.51 3hdnA1 LEU 363 HD23 -0.22 -0.03 -0.27 -0.04 0.89 0.33 3hdnA1 ILE 364 H 0.15 0.41 -0.09 -0.55 8.25 8.18 3hdnA1 ILE 364 HA -0.06 0.06 0.45 -0.75 4.18 3.87 3hdnA1 ILE 364 HB -0.01 0.06 0.09 -0.04 1.89 2.00 3hdnA1 ILE 364 HG12 0.24 -0.06 0.04 -0.04 1.49 1.68 3hdnA1 ILE 364 HG13 0.26 0.13 0.17 -0.04 1.21 1.73 3hdnA1 ILE 364 HG23 -0.32 -0.01 0.03 -0.04 0.93 0.59 3hdnA1 ILE 364 HD13 0.14 -0.02 0.02 -0.04 0.88 0.97 3hdnA1 ASN 365 H 0.01 0.28 -0.37 -0.55 8.53 7.90 3hdnA1 ASN 365 HA -0.09 0.11 0.58 -0.75 4.76 4.60 3hdnA1 ASN 365 HB2 0.01 -0.00 0.11 -0.04 2.88 2.95 3hdnA1 ASN 365 HB3 -0.02 -0.03 0.13 -0.04 2.79 2.84 3hdnA1 ASN 365 HD21 0.00 -0.09 -0.00 -0.04 7.03 6.90 3hdnA1 ASN 365 HD22 0.02 0.01 -0.07 -0.04 7.74 7.65 3hdnA1 LYS 366 H -0.02 0.29 -0.86 -0.55 8.42 7.27 3hdnA1 LYS 366 HA 0.06 0.06 0.30 -0.75 4.32 3.98 3hdnA1 LYS 366 HB2 -0.14 0.02 -0.22 -0.04 1.87 1.49 3hdnA1 LYS 366 HB3 -0.22 -0.04 0.14 -0.04 1.79 1.63 3hdnA1 LYS 366 HG2 -0.67 -0.02 0.05 -0.04 1.46 0.78 3hdnA1 LYS 366 HG3 -0.31 0.12 -0.03 -0.04 1.46 1.20 3hdnA1 LYS 366 HD2 -0.23 -0.02 -0.01 -0.04 1.69 1.38 3hdnA1 LYS 366 HD3 -0.46 -0.08 0.01 -0.04 1.68 1.11 3hdnA1 LYS 366 HE2 -0.15 -0.06 0.04 -0.04 2.99 2.78 3hdnA1 LYS 366 HE3 -0.43 0.01 0.07 -0.04 2.99 2.60 3hdnA1 LYS 367 H 0.07 0.63 -0.12 -0.55 8.42 8.44 3hdnA1 LYS 367 HA 0.05 0.17 0.68 -0.75 4.32 4.46 3hdnA1 ILE 368 H 0.13 0.06 -0.14 -0.55 8.25 7.75 3hdnA1 ILE 368 HA 0.07 0.04 0.57 -0.75 4.18 4.10 3hdnA1 ILE 368 HB 0.29 -0.02 0.01 -0.04 1.89 2.13 3hdnA1 ILE 368 HG12 0.04 0.02 -0.01 -0.04 1.49 1.50 3hdnA1 ILE 368 HG13 0.05 -0.01 -0.06 -0.04 1.21 1.15 3hdnA1 ILE 368 HG23 0.12 0.03 -0.19 -0.04 0.93 0.85 3hdnA1 ILE 368 HD13 0.02 -0.02 -0.16 -0.04 0.88 0.67 3hdnA1 THR 369 H 0.01 0.08 0.11 -0.55 8.28 7.93 3hdnA1 THR 369 HA 0.03 0.13 0.36 -0.75 4.39 4.15 3hdnA1 THR 369 HB -0.08 0.11 -0.04 -0.04 4.32 4.27 3hdnA1 THR 369 HG23 0.00 0.01 0.02 -0.04 1.22 1.21 3hdnA1 PRO 370 HA -1.33 0.02 0.37 -0.51 4.44 2.99 3hdnA1 PRO 370 HB2 -0.29 0.18 0.03 -0.04 2.28 2.16 3hdnA1 PRO 370 HB3 -0.35 0.20 0.11 -0.04 2.02 1.94 3hdnA1 PRO 370 HG2 -0.40 0.01 -0.29 -0.04 2.03 1.30 3hdnA1 PRO 370 HG3 -1.01 -0.02 -0.17 -0.04 2.03 0.79 3hdnA1 PRO 370 HD2 -0.14 0.08 0.10 -0.04 3.68 3.68 3hdnA1 PRO 370 HD3 -0.06 0.19 0.14 -0.04 3.65 3.87 3hdnA1 PRO 371 HA -0.26 0.08 0.38 -0.51 4.44 4.13 3hdnA1 PRO 371 HB2 -0.32 0.00 -0.01 -0.04 2.28 1.91 3hdnA1 PRO 371 HB3 -0.28 -0.05 0.07 -0.04 2.02 1.72 3hdnA1 PRO 371 HG2 -0.65 0.00 0.12 -0.04 2.03 1.46 3hdnA1 PRO 371 HG3 -0.58 0.04 0.04 -0.04 2.03 1.49 3hdnA1 PRO 371 HD2 -0.91 0.11 0.21 -0.04 3.68 3.05 3hdnA1 PRO 371 HD3 -2.13 0.12 0.21 -0.04 3.65 1.80 3hdnA1 PHE 372 H -0.16 0.18 -0.25 -0.55 8.34 7.56 3hdnA1 PHE 372 HA -0.14 0.13 0.82 -0.75 4.62 4.68 3hdnA1 PHE 372 HB2 -0.15 -0.02 -0.14 -0.04 3.15 2.80 3hdnA1 PHE 372 HB3 -0.12 -0.03 -0.01 -0.04 3.06 2.85 3hdnA1 PHE 372 HD2 -0.18 -0.01 -0.09 -0.04 7.28 6.95 3hdnA1 PHE 372 HE2 -0.41 -0.00 -0.10 -0.04 7.38 6.83 3hdnA1 PHE 372 HZ 0.03 -0.03 -0.10 -0.04 7.32 7.18 3hdnA1 ASN 373 H -0.61 0.14 0.07 -0.55 8.53 7.58 3hdnA1 ASN 373 HA -0.40 0.37 0.90 -0.75 4.76 4.88 3hdnA1 ASN 373 HB2 -0.21 0.03 -0.03 -0.04 2.88 2.62 3hdnA1 ASN 373 HB3 -0.26 -0.10 0.13 -0.04 2.79 2.52 3hdnA1 ASN 373 HD21 -0.10 -0.04 0.10 -0.04 7.03 6.95 3hdnA1 ASN 373 HD22 -0.17 0.30 0.15 -0.04 7.74 7.97 3hdnA1 PRO 374 HA -0.28 0.08 0.21 -0.51 4.44 3.94 3hdnA1 PRO 374 HB2 -0.02 -0.01 -0.00 -0.04 2.28 2.20 3hdnA1 PRO 374 HB3 0.10 0.16 0.05 -0.04 2.02 2.29 3hdnA1 PRO 374 HG2 -0.02 0.10 -0.15 -0.04 2.03 1.92 3hdnA1 PRO 374 HG3 -0.10 0.01 -0.11 -0.04 2.03 1.79 3hdnA1 PRO 374 HD2 -0.18 0.21 -0.25 -0.04 3.68 3.43 3hdnA1 PRO 374 HD3 -0.32 0.27 -0.07 -0.04 3.65 3.48