============================================================================= 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 28 0.840 33.499 131.651 261.941 -99.200 -91.000 PHE 34 1.000 39.638 148.223 256.346 -99.200 -91.000 PHE 54 1.000 40.903 138.911 257.674 -99.200 -91.000 HIS 66 0.900 10.875 118.081 270.956 -99.200 -91.000 TRP 67 1.040 12.546 110.846 273.869 -99.200 -91.000 TRP6 67 1.020 11.204 109.467 275.242 -99.200 -91.000 TYR 84 0.840 -1.986 119.060 266.518 -99.200 -91.000 TYR 91 0.840 5.117 126.984 268.319 -99.200 -91.000 TYR 121 0.840 22.821 151.668 275.163 -99.200 -91.000 HIS 138 0.900 20.183 157.398 272.404 -99.200 -91.000 TYR 141 0.840 25.544 156.995 266.434 -99.200 -91.000 PHE 148 1.000 28.310 144.369 258.316 -99.200 -91.000 TRP 160 1.040 6.482 144.274 270.809 -99.200 -91.000 TRP6 160 1.020 7.167 146.076 269.438 -99.200 -91.000 HIS 161 0.900 1.055 144.944 275.884 -99.200 -91.000 TYR 173 0.840 -2.039 154.801 272.837 -99.200 -91.000 PHE 175 1.000 6.282 152.306 269.102 -99.200 -91.000 PHE 181 1.000 0.654 148.193 265.425 -99.200 -91.000 TRP 187 1.040 13.425 153.575 266.510 -99.200 -91.000 TRP6 187 1.020 12.623 155.793 266.371 -99.200 -91.000 PHE 202 1.000 18.667 146.896 274.601 -99.200 -91.000 PHE 207 1.000 20.138 140.753 265.310 -99.200 -91.000 TRP 214 1.040 27.633 128.221 258.088 -99.200 -91.000 TRP6 214 1.020 27.458 127.786 255.771 -99.200 -91.000 PHE 231 1.000 7.379 93.842 267.954 -99.200 -91.000 HIS 248 0.900 27.992 134.693 266.796 -99.200 -91.000 TYR 249 0.840 30.368 134.744 258.636 -99.200 -91.000 PHE 259 1.000 14.631 148.147 277.439 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ft1G1 GLY 123 HA2 0.01 -0.02 0.15 -0.51 4.01 3.64 2ft1G1 GLY 123 HA3 0.00 -0.03 0.18 -0.51 4.01 3.65 2ft1G1 ILE 124 H 0.01 0.09 0.08 -0.55 8.25 7.89 2ft1G1 ILE 124 HA 0.02 0.07 0.58 -0.75 4.18 4.10 2ft1G1 ILE 124 HB 0.02 -0.02 0.05 -0.04 1.89 1.89 2ft1G1 ILE 124 HG12 0.01 0.03 0.05 -0.04 1.49 1.54 2ft1G1 ILE 124 HG13 0.02 -0.02 -0.00 -0.04 1.21 1.17 2ft1G1 ILE 124 HG23 0.04 0.01 -0.10 -0.04 0.93 0.83 2ft1G1 ILE 124 HD13 0.02 0.01 -0.11 -0.04 0.88 0.76 2ft1G1 ILE 125 H 0.03 0.14 0.14 -0.55 8.25 8.02 2ft1G1 ILE 125 HA 0.01 0.15 0.94 -0.75 4.18 4.53 2ft1G1 ILE 125 HB 0.02 -0.03 0.07 -0.04 1.89 1.91 2ft1G1 ILE 125 HG12 0.00 0.03 -0.16 -0.04 1.49 1.32 2ft1G1 ILE 125 HG13 0.01 0.08 -0.18 -0.04 1.21 1.08 2ft1G1 ILE 125 HG23 0.00 0.02 -0.15 -0.04 0.93 0.76 2ft1G1 ILE 125 HD13 0.00 -0.01 -0.03 -0.04 0.88 0.80 2ft1G1 MET 126 H -0.00 0.14 0.13 -0.55 8.47 8.19 2ft1G1 MET 126 HA -0.02 0.11 0.42 -0.75 4.52 4.28 2ft1G1 MET 126 HB2 -0.02 0.01 0.16 -0.04 2.15 2.26 2ft1G1 MET 126 HB3 -0.04 -0.00 0.07 -0.04 2.03 2.02 2ft1G1 MET 126 HG2 -0.06 -0.05 -0.01 -0.04 2.63 2.47 2ft1G1 MET 126 HG3 -0.03 0.03 0.04 -0.04 2.56 2.56 2ft1G1 MET 126 HE3 -0.02 -0.00 0.00 -0.04 2.10 2.04 2ft1G1 PRO 127 HA -0.02 0.17 0.61 -0.51 4.44 4.69 2ft1G1 PRO 127 HB2 0.08 -0.03 0.20 -0.04 2.28 2.50 2ft1G1 PRO 127 HB3 0.21 0.04 0.09 -0.04 2.02 2.32 2ft1G1 PRO 127 HG2 -0.17 0.01 -0.04 -0.04 2.03 1.79 2ft1G1 PRO 127 HG3 -0.21 0.02 0.02 -0.04 2.03 1.82 2ft1G1 PRO 127 HD2 -0.08 0.07 0.17 -0.04 3.68 3.80 2ft1G1 PRO 127 HD3 0.02 0.31 0.25 -0.04 3.65 4.19 2ft1G1 GLY 128 H -0.14 0.14 -0.44 -0.55 8.43 7.44 2ft1G1 GLY 128 HA2 -0.45 0.20 0.92 -0.51 4.01 4.17 2ft1G1 GLY 128 HA3 -0.57 -0.07 0.32 -0.51 4.01 3.18 2ft1G1 LEU 129 H -0.28 0.04 0.11 -0.55 8.37 7.69 2ft1G1 LEU 129 HA -0.05 0.22 0.69 -0.75 4.35 4.45 2ft1G1 LEU 129 HB2 0.10 -0.03 0.10 -0.04 1.64 1.76 2ft1G1 LEU 129 HB3 0.04 -0.05 -0.01 -0.04 1.64 1.58 2ft1G1 LEU 129 HG 0.04 -0.01 0.01 -0.04 1.64 1.65 2ft1G1 LEU 129 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 2ft1G1 LEU 129 HD23 0.09 0.00 -0.02 -0.04 0.89 0.92 2ft1G1 ARG 130 H 0.00 0.14 -0.02 -0.55 8.46 8.02 2ft1G1 ARG 130 HA -0.00 0.11 0.60 -0.75 4.34 4.29 2ft1G1 ARG 130 HB2 -0.00 0.02 0.15 -0.04 1.90 2.02 2ft1G1 ARG 130 HB3 -0.01 0.11 0.02 -0.04 1.80 1.88 2ft1G1 ARG 130 HG2 -0.01 -0.05 -0.17 -0.04 1.67 1.40 2ft1G1 ARG 130 HG3 0.00 -0.01 0.11 -0.04 1.67 1.73 2ft1G1 ARG 130 HD2 -0.00 -0.00 0.02 -0.04 3.22 3.19 2ft1G1 ARG 130 HD3 -0.01 0.04 -0.05 -0.04 3.22 3.16 2ft1G1 ARG 131 H 0.00 0.10 -0.03 -0.55 8.46 7.98 2ft1G1 ARG 131 HA -0.02 0.21 0.77 -0.75 4.34 4.54 2ft1G1 ARG 131 HB2 -0.05 0.01 0.28 -0.04 1.90 2.11 2ft1G1 ARG 131 HB3 -0.01 -0.01 0.03 -0.04 1.80 1.78 2ft1G1 ARG 131 HG2 0.01 -0.12 -0.06 -0.04 1.67 1.46 2ft1G1 ARG 131 HG3 -0.03 0.09 -0.24 -0.04 1.67 1.45 2ft1G1 ARG 131 HD2 -0.06 0.05 0.14 -0.04 3.22 3.31 2ft1G1 ARG 131 HD3 -0.01 -0.04 0.06 -0.04 3.22 3.20 2ft1G1 LEU 132 H -0.06 0.23 0.21 -0.55 8.37 8.20 2ft1G1 LEU 132 HA -0.04 0.18 0.96 -0.75 4.35 4.69 2ft1G1 LEU 132 HB2 -0.09 0.04 0.07 -0.04 1.64 1.63 2ft1G1 LEU 132 HB3 -0.07 0.05 -0.05 -0.04 1.64 1.52 2ft1G1 LEU 132 HG -0.05 -0.04 -0.24 -0.04 1.64 1.27 2ft1G1 LEU 132 HD13 -0.06 0.02 -0.01 -0.04 0.93 0.84 2ft1G1 LEU 132 HD23 -0.04 0.02 -0.00 -0.04 0.89 0.84 2ft1G1 THR 133 H -0.05 0.20 0.14 -0.55 8.28 8.02 2ft1G1 THR 133 HA -0.06 0.17 0.75 -0.75 4.39 4.50 2ft1G1 THR 133 HB -0.05 -0.06 0.07 -0.04 4.32 4.24 2ft1G1 THR 133 HG23 -0.05 -0.06 0.05 -0.04 1.22 1.12 2ft1G1 ILE 134 H -0.09 0.19 0.12 -0.55 8.25 7.92 2ft1G1 ILE 134 HA -0.18 0.13 0.32 -0.75 4.18 3.69 2ft1G1 ILE 134 HB -0.10 -0.05 0.03 -0.04 1.89 1.74 2ft1G1 ILE 134 HG12 -0.18 0.07 -0.02 -0.04 1.49 1.32 2ft1G1 ILE 134 HG13 -0.11 -0.05 0.07 -0.04 1.21 1.08 2ft1G1 ILE 134 HG23 -0.16 0.03 -0.16 -0.04 0.93 0.60 2ft1G1 ILE 134 HD13 -0.09 -0.00 -0.08 -0.04 0.88 0.67 2ft1G1 ARG 135 H -0.08 0.01 -0.29 -0.55 8.46 7.55 2ft1G1 ARG 135 HA -0.08 0.09 0.23 -0.75 4.34 3.83 2ft1G1 ARG 135 HB2 -0.06 -0.03 0.01 -0.04 1.90 1.78 2ft1G1 ARG 135 HB3 -0.05 -0.04 -0.04 -0.04 1.80 1.62 2ft1G1 ARG 135 HG2 -0.05 0.08 -0.18 -0.04 1.67 1.48 2ft1G1 ARG 135 HG3 -0.06 0.01 -0.03 -0.04 1.67 1.55 2ft1G1 ARG 135 HD2 -0.04 -0.03 -0.05 -0.04 3.22 3.06 2ft1G1 ARG 135 HD3 -0.04 -0.01 -0.05 -0.04 3.22 3.08 2ft1G1 ASP 136 H -0.07 0.21 -0.47 -0.55 8.40 7.53 2ft1G1 ASP 136 HA -0.05 0.11 0.51 -0.75 4.63 4.44 2ft1G1 ASP 136 HB2 -0.06 0.14 0.13 -0.04 2.71 2.88 2ft1G1 ASP 136 HB3 -0.04 0.03 0.03 -0.04 2.70 2.69 2ft1G1 LEU 137 H -0.09 0.21 -0.18 -0.55 8.37 7.76 2ft1G1 LEU 137 HA -0.02 0.06 0.41 -0.75 4.35 4.03 2ft1G1 LEU 137 HB2 -0.18 0.11 0.08 -0.04 1.64 1.61 2ft1G1 LEU 137 HB3 -0.08 -0.04 0.12 -0.04 1.64 1.60 2ft1G1 LEU 137 HG -0.12 -0.01 -0.08 -0.04 1.64 1.38 2ft1G1 LEU 137 HD13 -0.31 -0.03 -0.06 -0.04 0.93 0.49 2ft1G1 LEU 137 HD23 -0.03 0.03 -0.03 -0.04 0.89 0.82 2ft1G1 LEU 138 H -0.06 0.19 -0.86 -0.55 8.37 7.09 2ft1G1 LEU 138 HA -0.02 0.29 0.81 -0.75 4.35 4.67 2ft1G1 LEU 138 HB2 -0.10 -0.01 -0.09 -0.04 1.64 1.41 2ft1G1 LEU 138 HB3 -0.12 -0.03 0.01 -0.04 1.64 1.46 2ft1G1 LEU 138 HG -0.04 -0.05 -0.49 -0.04 1.64 1.02 2ft1G1 LEU 138 HD13 -0.07 -0.06 -0.26 -0.04 0.93 0.50 2ft1G1 LEU 138 HD23 0.02 0.04 -0.11 -0.04 0.89 0.79 2ft1G1 ALA 139 H -0.12 0.31 0.16 -0.55 8.40 8.20 2ft1G1 ALA 139 HA -0.11 0.08 0.64 -0.75 4.34 4.20 2ft1G1 ALA 139 HB3 -0.13 0.03 0.08 -0.04 1.41 1.34 2ft1G1 GLN 140 H -0.14 0.18 0.26 -0.55 8.47 8.22 2ft1G1 GLN 140 HA -0.26 0.20 0.80 -0.75 4.36 4.34 2ft1G1 GLN 140 HB2 -0.11 -0.03 0.13 -0.04 2.15 2.10 2ft1G1 GLN 140 HB3 -0.11 -0.05 0.05 -0.04 2.02 1.87 2ft1G1 GLN 140 HG2 -0.11 -0.09 -0.02 -0.04 2.40 2.15 2ft1G1 GLN 140 HG3 -0.11 0.26 0.02 -0.04 2.39 2.52 2ft1G1 GLN 140 HE21 -0.05 -0.11 0.02 -0.04 6.97 6.80 2ft1G1 GLN 140 HE22 -0.06 0.13 0.13 -0.04 7.69 7.84 2ft1G1 GLY 141 H -0.33 0.47 0.39 -0.55 8.43 8.42 2ft1G1 GLY 141 HA2 -0.20 0.10 0.69 -0.51 4.01 4.09 2ft1G1 GLY 141 HA3 -0.89 0.05 0.28 -0.51 4.01 2.94 2ft1G1 ARG 142 H 0.20 0.19 0.20 -0.55 8.46 8.49 2ft1G1 ARG 142 HA 0.22 0.29 1.12 -0.75 4.34 5.21 2ft1G1 ARG 142 HB2 0.12 -0.05 0.12 -0.04 1.90 2.05 2ft1G1 ARG 142 HB3 0.11 0.11 0.05 -0.04 1.80 2.02 2ft1G1 ARG 142 HG2 0.06 0.03 -0.05 -0.04 1.67 1.68 2ft1G1 ARG 142 HG3 0.04 -0.09 -0.23 -0.04 1.67 1.36 2ft1G1 ARG 142 HD2 0.03 -0.03 -0.04 -0.04 3.22 3.13 2ft1G1 ARG 142 HD3 0.04 -0.01 -0.02 -0.04 3.22 3.18 2ft1G1 THR 143 H 0.17 0.81 0.35 -0.55 8.28 9.05 2ft1G1 THR 143 HA 0.02 0.15 0.86 -0.75 4.39 4.67 2ft1G1 THR 143 HB -0.10 0.01 -0.26 -0.04 4.32 3.93 2ft1G1 THR 143 HG23 0.04 0.04 -0.41 -0.04 1.22 0.85 2ft1G1 SER 144 H -0.05 -0.12 0.21 -0.55 8.46 7.94 2ft1G1 SER 144 HA 0.00 0.25 0.82 -0.75 4.49 4.81 2ft1G1 SER 144 HB2 -0.02 -0.03 -0.01 -0.04 3.95 3.84 2ft1G1 SER 144 HB3 -0.01 0.00 0.08 -0.04 3.93 3.97 2ft1G1 SER 145 H -0.07 -0.15 0.14 -0.55 8.46 7.83 2ft1G1 SER 145 HA -0.04 0.10 0.57 -0.75 4.49 4.37 2ft1G1 SER 145 HB2 -0.08 -0.02 0.11 -0.04 3.95 3.92 2ft1G1 SER 145 HB3 -0.10 0.04 -0.04 -0.04 3.93 3.79 2ft1G1 ASN 146 H -0.02 0.11 0.17 -0.55 8.53 8.24 2ft1G1 ASN 146 HA -0.01 0.10 0.37 -0.75 4.76 4.47 2ft1G1 ASN 146 HB2 -0.01 0.01 0.12 -0.04 2.88 2.96 2ft1G1 ASN 146 HB3 -0.01 -0.03 0.10 -0.04 2.79 2.81 2ft1G1 ASN 146 HD21 -0.00 0.01 -0.06 -0.04 7.03 6.94 2ft1G1 ASN 146 HD22 -0.01 -0.02 -0.21 -0.04 7.74 7.47 2ft1G1 ALA 147 H -0.03 0.16 -0.11 -0.55 8.40 7.87 2ft1G1 ALA 147 HA -0.01 0.16 0.61 -0.75 4.34 4.35 2ft1G1 ALA 147 HB3 -0.01 0.01 -0.13 -0.04 1.41 1.25 2ft1G1 LEU 148 H -0.00 0.75 0.17 -0.55 8.37 8.74 2ft1G1 LEU 148 HA -0.09 0.16 1.09 -0.75 4.35 4.75 2ft1G1 LEU 148 HB2 -0.08 0.07 0.02 -0.04 1.64 1.61 2ft1G1 LEU 148 HB3 -0.13 0.03 -0.15 -0.04 1.64 1.35 2ft1G1 LEU 148 HG -0.25 -0.01 -0.29 -0.04 1.64 1.05 2ft1G1 LEU 148 HD13 -1.12 0.00 -0.14 -0.04 0.93 -0.37 2ft1G1 LEU 148 HD23 -0.29 0.02 0.00 -0.04 0.89 0.59 2ft1G1 GLU 149 H -0.05 0.20 0.18 -0.55 8.60 8.39 2ft1G1 GLU 149 HA -0.07 0.22 1.07 -0.75 4.29 4.75 2ft1G1 GLU 149 HB2 -0.05 -0.04 0.13 -0.04 2.09 2.09 2ft1G1 GLU 149 HB3 -0.07 0.07 0.02 -0.04 1.99 1.97 2ft1G1 GLU 149 HG2 -0.06 0.03 -0.14 -0.04 2.34 2.13 2ft1G1 GLU 149 HG3 -0.04 -0.05 -0.22 -0.04 2.34 1.98 2ft1G1 TYR 150 H -0.35 0.80 0.36 -0.55 8.29 8.54 2ft1G1 TYR 150 HA -0.04 0.15 0.73 -0.75 4.56 4.65 2ft1G1 TYR 150 HB2 0.03 -0.06 0.14 -0.04 3.06 3.13 2ft1G1 TYR 150 HB3 0.07 0.02 -0.18 -0.04 2.98 2.85 2ft1G1 TYR 150 HD2 0.11 0.02 -0.36 -0.04 7.15 6.89 2ft1G1 TYR 150 HE2 0.17 0.15 -0.18 -0.04 6.85 6.95 2ft1G1 VAL 151 H 0.20 0.22 0.16 -0.55 8.24 8.28 2ft1G1 VAL 151 HA -0.02 0.21 1.17 -0.75 4.13 4.74 2ft1G1 VAL 151 HB -0.18 0.00 0.06 -0.04 2.12 1.96 2ft1G1 VAL 151 HG13 -0.20 0.01 -0.18 -0.04 0.97 0.56 2ft1G1 VAL 151 HG23 -0.14 0.00 -0.17 -0.04 0.95 0.59 2ft1G1 ARG 152 H 0.12 0.60 0.32 -0.55 8.46 8.94 2ft1G1 ARG 152 HA 0.28 0.17 0.86 -0.75 4.34 4.90 2ft1G1 ARG 152 HB2 0.28 -0.05 0.06 -0.04 1.90 2.15 2ft1G1 ARG 152 HB3 0.14 -0.07 0.13 -0.04 1.80 1.96 2ft1G1 ARG 152 HG2 0.14 0.12 -0.16 -0.04 1.67 1.74 2ft1G1 ARG 152 HG3 0.24 0.09 -0.03 -0.04 1.67 1.94 2ft1G1 ARG 152 HD2 0.10 -0.08 -0.07 -0.04 3.22 3.14 2ft1G1 ARG 152 HD3 0.11 -0.04 -0.08 -0.04 3.22 3.16 2ft1G1 GLU 153 H 0.21 0.27 0.26 -0.55 8.60 8.79 2ft1G1 GLU 153 HA 0.10 0.01 0.61 -0.75 4.29 4.25 2ft1G1 GLU 153 HB2 0.22 -0.03 0.15 -0.04 2.09 2.39 2ft1G1 GLU 153 HB3 0.08 0.06 0.17 -0.04 1.99 2.26 2ft1G1 GLU 153 HG2 -0.25 0.05 -0.21 -0.04 2.34 1.89 2ft1G1 GLU 153 HG3 -0.47 -0.05 -0.01 -0.04 2.34 1.77 2ft1G1 GLU 154 H -0.16 0.41 0.15 -0.55 8.60 8.45 2ft1G1 GLU 154 HA 0.01 0.20 0.81 -0.75 4.29 4.56 2ft1G1 GLU 154 HB2 -0.04 -0.15 -0.02 -0.04 2.09 1.84 2ft1G1 GLU 154 HB3 -0.00 -0.01 0.04 -0.04 1.99 1.98 2ft1G1 GLU 154 HG2 0.06 0.07 -0.16 -0.04 2.34 2.28 2ft1G1 GLU 154 HG3 0.03 -0.03 -0.18 -0.04 2.34 2.12 2ft1G1 VAL 155 H -0.05 0.02 0.15 -0.55 8.24 7.81 2ft1G1 VAL 155 HA 0.02 0.21 0.75 -0.75 4.13 4.35 2ft1G1 VAL 155 HB -0.01 -0.10 0.14 -0.04 2.12 2.10 2ft1G1 VAL 155 HG13 0.01 0.00 -0.11 -0.04 0.97 0.83 2ft1G1 VAL 155 HG23 -0.00 0.02 -0.00 -0.04 0.95 0.92 2ft1G1 PHE 156 H 0.10 0.24 0.10 -0.55 8.34 8.23 2ft1G1 PHE 156 HA -0.09 0.23 1.01 -0.75 4.62 5.01 2ft1G1 PHE 156 HB2 -0.07 0.06 -0.05 -0.04 3.15 3.05 2ft1G1 PHE 156 HB3 -0.04 0.03 0.21 -0.04 3.06 3.22 2ft1G1 PHE 156 HD2 -0.03 0.15 -0.05 -0.04 7.28 7.31 2ft1G1 PHE 156 HE2 -0.01 -0.02 -0.08 -0.04 7.38 7.23 2ft1G1 PHE 156 HZ -0.01 -0.03 -0.03 -0.04 7.32 7.21 2ft1G1 THR 157 H 0.13 0.37 0.03 -0.55 8.28 8.25 2ft1G1 THR 157 HA -0.08 0.11 0.62 -0.75 4.39 4.29 2ft1G1 THR 157 HB 0.02 -0.11 0.27 -0.04 4.32 4.46 2ft1G1 THR 157 HG23 -0.03 0.02 -0.04 -0.04 1.22 1.14 2ft1G1 ASN 158 H -0.39 0.37 0.22 -0.55 8.53 8.18 2ft1G1 ASN 158 HA -0.20 -0.01 0.67 -0.75 4.76 4.47 2ft1G1 ASN 158 HB2 -1.23 0.05 0.07 -0.04 2.88 1.73 2ft1G1 ASN 158 HB3 -0.46 0.06 0.21 -0.04 2.79 2.56 2ft1G1 ASN 158 HD21 -0.10 0.01 -0.04 -0.04 7.03 6.86 2ft1G1 ASN 158 HD22 -0.19 0.04 0.01 -0.04 7.74 7.56 2ft1G1 ASN 159 H -0.03 0.10 0.13 -0.55 8.53 8.18 2ft1G1 ASN 159 HA -0.05 0.27 0.86 -0.75 4.76 5.08 2ft1G1 ASN 159 HB2 -0.01 0.06 -0.15 -0.04 2.88 2.74 2ft1G1 ASN 159 HB3 -0.01 -0.06 0.06 -0.04 2.79 2.74 2ft1G1 ASN 159 HD21 -0.02 -0.03 -0.03 -0.04 7.03 6.90 2ft1G1 ASN 159 HD22 -0.02 -0.01 0.02 -0.04 7.74 7.68 2ft1G1 ALA 160 H -0.04 0.01 -0.09 -0.55 8.40 7.73 2ft1G1 ALA 160 HA 0.00 0.03 0.37 -0.75 4.34 3.98 2ft1G1 ALA 160 HB3 -0.00 0.01 0.05 -0.04 1.41 1.42 2ft1G1 ASP 161 H -0.00 0.22 0.24 -0.55 8.40 8.31 2ft1G1 ASP 161 HA -0.01 0.08 0.54 -0.75 4.63 4.48 2ft1G1 ASP 161 HB2 -0.01 0.17 -0.28 -0.04 2.71 2.54 2ft1G1 ASP 161 HB3 -0.01 0.02 -0.03 -0.04 2.70 2.65 2ft1G1 VAL 162 H -0.01 0.12 0.16 -0.55 8.24 7.97 2ft1G1 VAL 162 HA -0.00 0.09 0.64 -0.75 4.13 4.10 2ft1G1 VAL 162 HB -0.00 -0.00 0.05 -0.04 2.12 2.12 2ft1G1 VAL 162 HG13 -0.00 0.01 -0.05 -0.04 0.97 0.88 2ft1G1 VAL 162 HG23 -0.00 0.00 0.04 -0.04 0.95 0.95 2ft1G1 VAL 163 H 0.00 0.20 0.17 -0.55 8.24 8.07 2ft1G1 VAL 163 HA -0.00 0.15 0.90 -0.75 4.13 4.42 2ft1G1 VAL 163 HB 0.00 -0.06 0.02 -0.04 2.12 2.04 2ft1G1 VAL 163 HG13 0.00 0.09 -0.21 -0.04 0.97 0.80 2ft1G1 VAL 163 HG23 0.00 0.02 -0.26 -0.04 0.95 0.67 2ft1G1 ALA 164 H -0.00 0.13 0.10 -0.55 8.40 8.08 2ft1G1 ALA 164 HA 0.00 0.07 0.58 -0.75 4.34 4.24 2ft1G1 ALA 164 HB3 -0.00 0.01 0.07 -0.04 1.41 1.45 2ft1G1 GLU 165 H 0.00 0.08 0.16 -0.55 8.60 8.29 2ft1G1 GLU 165 HA 0.00 0.09 0.50 -0.75 4.29 4.12 2ft1G1 GLU 165 HB2 0.00 0.01 0.06 -0.04 2.09 2.13 2ft1G1 GLU 165 HB3 0.00 0.03 0.13 -0.04 1.99 2.11 2ft1G1 GLU 165 HG2 0.00 -0.06 0.16 -0.04 2.34 2.40 2ft1G1 GLU 165 HG3 0.00 0.03 0.00 -0.04 2.34 2.33 2ft1G1 LYS 166 H 0.00 0.14 0.17 -0.55 8.42 8.17 2ft1G1 LYS 166 HA 0.00 0.00 0.31 -0.75 4.32 3.88 2ft1G1 LYS 166 HB2 0.00 0.26 -0.01 -0.04 1.87 2.08 2ft1G1 LYS 166 HB3 0.00 -0.02 0.21 -0.04 1.79 1.94 2ft1G1 LYS 166 HG2 0.00 0.00 0.03 -0.04 1.46 1.45 2ft1G1 LYS 166 HG3 0.00 -0.08 -0.16 -0.04 1.46 1.18 2ft1G1 LYS 166 HD2 0.00 0.02 -0.06 -0.04 1.69 1.61 2ft1G1 LYS 166 HD3 0.00 0.00 0.01 -0.04 1.68 1.65 2ft1G1 LYS 166 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 2ft1G1 LYS 166 HE3 0.00 -0.02 -0.03 -0.04 2.99 2.90 2ft1G1 ALA 167 H 0.00 0.20 -0.31 -0.55 8.40 7.75 2ft1G1 ALA 167 HA 0.00 0.14 0.92 -0.75 4.34 4.64 2ft1G1 ALA 167 HB3 0.00 0.07 -0.04 -0.04 1.41 1.39 2ft1G1 LEU 168 H 0.00 0.09 0.13 -0.55 8.37 8.04 2ft1G1 LEU 168 HA 0.00 0.03 0.50 -0.75 4.35 4.13 2ft1G1 LEU 168 HB2 0.00 -0.02 0.09 -0.04 1.64 1.68 2ft1G1 LEU 168 HB3 0.00 -0.03 0.10 -0.04 1.64 1.67 2ft1G1 LEU 168 HG 0.00 0.24 -0.25 -0.04 1.64 1.59 2ft1G1 LEU 168 HD13 0.00 -0.06 0.07 -0.04 0.93 0.90 2ft1G1 LEU 168 HD23 0.00 -0.02 -0.02 -0.04 0.89 0.81 2ft1G1 LYS 169 H 0.00 0.06 0.15 -0.55 8.42 8.09 2ft1G1 LYS 169 HA 0.00 0.21 0.73 -0.75 4.32 4.50 2ft1G1 LYS 169 HB2 0.01 -0.04 0.05 -0.04 1.87 1.84 2ft1G1 LYS 169 HB3 0.01 0.07 0.11 -0.04 1.79 1.94 2ft1G1 LYS 169 HG2 0.00 0.06 -0.12 -0.04 1.46 1.36 2ft1G1 LYS 169 HG3 0.00 -0.03 0.01 -0.04 1.46 1.40 2ft1G1 LYS 169 HD2 0.01 -0.03 0.01 -0.04 1.69 1.63 2ft1G1 LYS 169 HD3 0.01 0.02 0.01 -0.04 1.68 1.68 2ft1G1 LYS 169 HE2 0.01 -0.03 -0.00 -0.04 2.99 2.92 2ft1G1 LYS 169 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 2ft1G1 PRO 170 HA 0.00 0.06 0.56 -0.51 4.44 4.56 2ft1G1 PRO 170 HB2 0.00 -0.08 -0.16 -0.04 2.28 2.00 2ft1G1 PRO 170 HB3 -0.00 0.11 0.04 -0.04 2.02 2.12 2ft1G1 PRO 170 HG2 -0.00 -0.03 0.04 -0.04 2.03 2.01 2ft1G1 PRO 170 HG3 -0.00 0.06 -0.02 -0.04 2.03 2.03 2ft1G1 PRO 170 HD2 0.01 0.05 0.18 -0.04 3.68 3.87 2ft1G1 PRO 170 HD3 0.00 0.15 0.17 -0.04 3.65 3.93 2ft1G1 GLU 171 H 0.01 0.18 0.13 -0.55 8.60 8.37 2ft1G1 GLU 171 HA 0.02 0.14 0.89 -0.75 4.29 4.58 2ft1G1 GLU 171 HB2 0.01 0.01 0.02 -0.04 2.09 2.09 2ft1G1 GLU 171 HB3 0.01 -0.03 0.15 -0.04 1.99 2.08 2ft1G1 GLU 171 HG2 0.02 0.17 -0.29 -0.04 2.34 2.20 2ft1G1 GLU 171 HG3 0.02 -0.02 0.03 -0.04 2.34 2.33 2ft1G1 SER 172 H 0.04 0.14 0.13 -0.55 8.46 8.22 2ft1G1 SER 172 HA 0.04 0.22 0.82 -0.75 4.49 4.81 2ft1G1 SER 172 HB2 0.11 0.00 0.06 -0.04 3.95 4.08 2ft1G1 SER 172 HB3 0.18 0.11 0.10 -0.04 3.93 4.28 2ft1G1 ASP 173 H 0.10 0.59 0.29 -0.55 8.40 8.82 2ft1G1 ASP 173 HA 0.04 0.17 0.87 -0.75 4.63 4.96 2ft1G1 ASP 173 HB2 0.03 0.07 -0.15 -0.04 2.71 2.62 2ft1G1 ASP 173 HB3 0.03 -0.06 0.07 -0.04 2.70 2.70 2ft1G1 ILE 174 H -0.00 0.22 0.09 -0.55 8.25 8.01 2ft1G1 ILE 174 HA -0.07 0.28 1.08 -0.75 4.18 4.70 2ft1G1 ILE 174 HB -0.11 -0.04 0.11 -0.04 1.89 1.80 2ft1G1 ILE 174 HG12 -0.34 0.07 -0.07 -0.04 1.49 1.11 2ft1G1 ILE 174 HG13 -0.03 -0.13 -0.53 -0.04 1.21 0.48 2ft1G1 ILE 174 HG23 -0.72 0.02 -0.12 -0.04 0.93 0.06 2ft1G1 ILE 174 HD13 -0.28 0.00 -0.07 -0.04 0.88 0.48 2ft1G1 THR 175 H -0.13 0.69 0.30 -0.55 8.28 8.60 2ft1G1 THR 175 HA -0.05 0.09 0.67 -0.75 4.39 4.34 2ft1G1 THR 175 HB -0.07 -0.50 0.27 -0.04 4.32 3.99 2ft1G1 THR 175 HG23 -0.00 0.04 0.04 -0.04 1.22 1.26 2ft1G1 PHE 176 H 0.09 0.23 0.27 -0.55 8.34 8.38 2ft1G1 PHE 176 HA 0.01 0.16 0.91 -0.75 4.62 4.94 2ft1G1 PHE 176 HB2 -0.01 -0.02 0.01 -0.04 3.15 3.09 2ft1G1 PHE 176 HB3 -0.01 -0.00 -0.10 -0.04 3.06 2.91 2ft1G1 PHE 176 HD2 -0.01 0.05 -0.15 -0.04 7.28 7.13 2ft1G1 PHE 176 HE2 -0.04 -0.01 -0.08 -0.04 7.38 7.22 2ft1G1 PHE 176 HZ -0.07 -0.00 -0.05 -0.04 7.32 7.16 2ft1G1 SER 177 H 0.24 0.58 0.25 -0.55 8.46 8.98 2ft1G1 SER 177 HA 0.06 0.12 0.94 -0.75 4.49 4.85 2ft1G1 SER 177 HB2 0.03 0.04 0.03 -0.04 3.95 4.01 2ft1G1 SER 177 HB3 0.05 -0.03 -0.10 -0.04 3.93 3.82 2ft1G1 LYS 178 H -0.00 0.15 0.16 -0.55 8.42 8.17 2ft1G1 LYS 178 HA -0.08 0.18 0.84 -0.75 4.32 4.51 2ft1G1 LYS 178 HB2 -0.04 -0.03 0.10 -0.04 1.87 1.86 2ft1G1 LYS 178 HB3 -0.04 -0.03 0.18 -0.04 1.79 1.86 2ft1G1 LYS 178 HG2 -0.09 -0.00 -0.21 -0.04 1.46 1.12 2ft1G1 LYS 178 HG3 -0.09 0.10 0.03 -0.04 1.46 1.46 2ft1G1 LYS 178 HD2 -0.04 -0.03 -0.02 -0.04 1.69 1.56 2ft1G1 LYS 178 HD3 -0.06 -0.02 -0.05 -0.04 1.68 1.51 2ft1G1 LYS 178 HE2 -0.06 0.02 -0.04 -0.04 2.99 2.87 2ft1G1 LYS 178 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.88 2ft1G1 GLN 179 H -0.30 0.54 0.35 -0.55 8.47 8.52 2ft1G1 GLN 179 HA -0.17 0.19 0.97 -0.75 4.36 4.59 2ft1G1 GLN 179 HB2 -0.84 -0.05 -0.05 -0.04 2.15 1.17 2ft1G1 GLN 179 HB3 -0.27 0.03 -0.00 -0.04 2.02 1.73 2ft1G1 GLN 179 HG2 -0.05 -0.01 -0.33 -0.04 2.40 1.96 2ft1G1 GLN 179 HG3 0.04 0.06 -0.07 -0.04 2.39 2.38 2ft1G1 GLN 179 HE21 -0.01 -0.01 -0.06 -0.04 6.97 6.84 2ft1G1 GLN 179 HE22 -0.01 -0.12 -0.34 -0.04 7.69 7.18 2ft1G1 THR 180 H -0.13 0.25 0.17 -0.55 8.28 8.02 2ft1G1 THR 180 HA -0.12 0.23 1.14 -0.75 4.39 4.88 2ft1G1 THR 180 HB -0.04 -0.01 0.05 -0.04 4.32 4.28 2ft1G1 THR 180 HG23 -0.01 -0.01 -0.33 -0.04 1.22 0.82 2ft1G1 ALA 181 H 0.12 0.92 0.29 -0.55 8.40 9.18 2ft1G1 ALA 181 HA 0.13 0.15 0.96 -0.75 4.34 4.82 2ft1G1 ALA 181 HB3 0.27 -0.00 -0.03 -0.04 1.41 1.60 2ft1G1 ASN 182 H 0.06 0.18 0.11 -0.55 8.53 8.34 2ft1G1 ASN 182 HA 0.02 -0.00 0.56 -0.75 4.76 4.59 2ft1G1 ASN 182 HB2 0.03 0.04 -0.02 -0.04 2.88 2.89 2ft1G1 ASN 182 HB3 0.02 0.07 0.04 -0.04 2.79 2.87 2ft1G1 ASN 182 HD21 0.02 0.01 -0.03 -0.04 7.03 6.98 2ft1G1 ASN 182 HD22 0.03 0.05 0.00 -0.04 7.74 7.78 2ft1G1 VAL 183 H 0.02 0.25 0.27 -0.55 8.24 8.24 2ft1G1 VAL 183 HA 0.04 0.16 0.83 -0.75 4.13 4.40 2ft1G1 VAL 183 HB 0.02 0.16 0.23 -0.04 2.12 2.49 2ft1G1 VAL 183 HG13 0.03 -0.03 -0.25 -0.04 0.97 0.68 2ft1G1 VAL 183 HG23 0.03 -0.04 -0.23 -0.04 0.95 0.66 2ft1G1 LYS 184 H 0.03 0.48 0.41 -0.55 8.42 8.78 2ft1G1 LYS 184 HA 0.02 0.17 0.92 -0.75 4.32 4.68 2ft1G1 LYS 184 HB2 0.02 -0.11 0.02 -0.04 1.87 1.76 2ft1G1 LYS 184 HB3 0.01 0.04 0.09 -0.04 1.79 1.89 2ft1G1 LYS 184 HG2 0.03 -0.04 -0.25 -0.04 1.46 1.15 2ft1G1 LYS 184 HG3 0.02 0.04 -0.29 -0.04 1.46 1.19 2ft1G1 LYS 184 HD2 0.02 0.05 0.02 -0.04 1.69 1.73 2ft1G1 LYS 184 HD3 0.02 0.08 -0.25 -0.04 1.68 1.48 2ft1G1 LYS 184 HE2 0.03 -0.15 -0.25 -0.04 2.99 2.58 2ft1G1 LYS 184 HE3 0.02 0.19 -0.38 -0.04 2.99 2.78 2ft1G1 THR 185 H 0.01 0.21 0.20 -0.55 8.28 8.16 2ft1G1 THR 185 HA 0.01 0.22 1.21 -0.75 4.39 5.08 2ft1G1 THR 185 HB 0.02 -0.02 0.04 -0.04 4.32 4.32 2ft1G1 THR 185 HG23 0.02 -0.01 -0.18 -0.04 1.22 1.01 2ft1G1 ILE 186 H 0.00 0.73 0.40 -0.55 8.25 8.83 2ft1G1 ILE 186 HA -0.01 0.15 0.95 -0.75 4.18 4.51 2ft1G1 ILE 186 HB -0.03 0.02 0.08 -0.04 1.89 1.91 2ft1G1 ILE 186 HG12 -0.02 0.04 -0.14 -0.04 1.49 1.33 2ft1G1 ILE 186 HG13 -0.01 -0.06 -0.35 -0.04 1.21 0.74 2ft1G1 ILE 186 HG23 -0.09 0.00 -0.09 -0.04 0.93 0.71 2ft1G1 ILE 186 HD13 -0.03 -0.01 -0.09 -0.04 0.88 0.71 2ft1G1 ALA 187 H -0.02 0.28 0.24 -0.55 8.40 8.34 2ft1G1 ALA 187 HA 0.01 0.29 0.61 -0.75 4.34 4.50 2ft1G1 ALA 187 HB3 0.10 -0.04 -0.05 -0.04 1.41 1.38 2ft1G1 HIS 188 H 0.32 0.39 0.26 -0.55 8.41 8.84 2ft1G1 HIS 188 HA 0.06 0.03 0.44 -0.75 4.63 4.41 2ft1G1 HIS 188 HB2 -0.14 0.02 0.14 -0.04 3.26 3.23 2ft1G1 HIS 188 HB3 -0.05 0.16 0.15 -0.04 3.20 3.41 2ft1G1 HIS 188 HD2 -0.07 0.00 -0.07 -0.04 6.97 6.79 2ft1G1 HIS 188 HE1 -0.01 0.12 -0.04 -0.04 7.75 7.78 2ft1G1 TRP 189 H -0.41 0.21 0.22 -0.55 7.97 7.43 2ft1G1 TRP 189 HA -0.06 0.38 1.06 -0.75 4.62 5.24 2ft1G1 TRP 189 HB2 -0.01 -0.01 -0.01 -0.04 3.23 3.16 2ft1G1 TRP 189 HB3 0.01 -0.05 -0.12 -0.04 3.23 3.03 2ft1G1 TRP 189 HD1 0.04 -0.03 -0.11 -0.04 7.22 7.08 2ft1G1 TRP 189 HE1 0.02 0.03 -0.04 -0.04 10.20 10.17 2ft1G1 TRP 189 HE3 -0.00 -0.01 -0.40 -0.04 7.59 7.14 2ft1G1 TRP 189 HZ2 0.01 0.02 -0.04 -0.04 7.44 7.40 2ft1G1 TRP 189 HZ3 0.01 -0.04 -0.10 -0.04 7.13 6.96 2ft1G1 TRP 189 HH2 0.01 0.01 -0.05 -0.04 7.19 7.13 2ft1G1 VAL 190 H 0.27 0.46 0.32 -0.55 8.24 8.74 2ft1G1 VAL 190 HA -0.13 0.13 0.85 -0.75 4.13 4.23 2ft1G1 VAL 190 HB 0.01 -0.03 0.05 -0.04 2.12 2.10 2ft1G1 VAL 190 HG13 -0.03 0.03 -0.07 -0.04 0.97 0.85 2ft1G1 VAL 190 HG23 -0.17 0.02 -0.24 -0.04 0.95 0.51 2ft1G1 GLN 191 H 0.13 0.18 0.15 -0.55 8.47 8.39 2ft1G1 GLN 191 HA 0.19 0.10 0.78 -0.75 4.36 4.68 2ft1G1 GLN 191 HB2 0.20 0.01 0.14 -0.04 2.15 2.46 2ft1G1 GLN 191 HB3 0.14 0.04 -0.05 -0.04 2.02 2.11 2ft1G1 GLN 191 HG2 0.21 -0.01 -0.06 -0.04 2.40 2.49 2ft1G1 GLN 191 HG3 0.79 -0.03 -0.08 -0.04 2.39 3.03 2ft1G1 GLN 191 HE21 0.17 0.02 -0.04 -0.04 6.97 7.07 2ft1G1 GLN 191 HE22 0.25 0.00 -0.01 -0.04 7.69 7.90 2ft1G1 ALA 192 H 0.08 0.38 0.26 -0.55 8.40 8.58 2ft1G1 ALA 192 HA 0.05 0.18 0.91 -0.75 4.34 4.72 2ft1G1 ALA 192 HB3 0.05 0.03 -0.02 -0.04 1.41 1.42 2ft1G1 SER 193 H 0.03 0.15 0.14 -0.55 8.46 8.24 2ft1G1 SER 193 HA 0.03 0.24 0.72 -0.75 4.49 4.73 2ft1G1 SER 193 HB2 0.02 0.10 0.15 -0.04 3.95 4.18 2ft1G1 SER 193 HB3 0.02 -0.06 0.21 -0.04 3.93 4.06 2ft1G1 ARG 194 H 0.03 0.62 0.26 -0.55 8.46 8.82 2ft1G1 ARG 194 HA 0.03 0.03 0.20 -0.75 4.34 3.85 2ft1G1 ARG 194 HB2 0.05 0.08 -0.27 -0.04 1.90 1.71 2ft1G1 ARG 194 HB3 0.03 0.11 0.04 -0.04 1.80 1.95 2ft1G1 ARG 194 HG2 0.04 0.01 -0.07 -0.04 1.67 1.61 2ft1G1 ARG 194 HG3 0.03 -0.01 -0.42 -0.04 1.67 1.22 2ft1G1 ARG 194 HD2 0.04 -0.04 -0.06 -0.04 3.22 3.11 2ft1G1 ARG 194 HD3 0.06 0.06 -0.07 -0.04 3.22 3.23 2ft1G1 GLN 195 H 0.02 0.16 -0.14 -0.55 8.47 7.96 2ft1G1 GLN 195 HA 0.02 0.09 0.33 -0.75 4.36 4.04 2ft1G1 GLN 195 HB2 0.01 -0.09 0.12 -0.04 2.15 2.15 2ft1G1 GLN 195 HB3 0.01 0.05 -0.01 -0.04 2.02 2.03 2ft1G1 GLN 195 HG2 0.01 0.04 0.03 -0.04 2.40 2.44 2ft1G1 GLN 195 HG3 0.01 0.01 0.04 -0.04 2.39 2.41 2ft1G1 GLN 195 HE21 0.00 0.07 0.05 -0.04 6.97 7.05 2ft1G1 GLN 195 HE22 0.00 0.01 0.03 -0.04 7.69 7.68 2ft1G1 VAL 196 H 0.02 0.08 -0.10 -0.55 8.24 7.68 2ft1G1 VAL 196 HA 0.01 0.02 0.31 -0.75 4.13 3.73 2ft1G1 VAL 196 HB 0.02 0.11 0.12 -0.04 2.12 2.32 2ft1G1 VAL 196 HG13 0.01 0.01 -0.11 -0.04 0.97 0.84 2ft1G1 VAL 196 HG23 0.01 -0.01 0.08 -0.04 0.95 1.00 2ft1G1 MET 197 H 0.02 0.42 -0.41 -0.55 8.47 7.96 2ft1G1 MET 197 HA 0.02 0.01 0.39 -0.75 4.52 4.19 2ft1G1 MET 197 HB2 0.03 0.17 0.05 -0.04 2.15 2.35 2ft1G1 MET 197 HB3 0.03 -0.05 -0.04 -0.04 2.03 1.92 2ft1G1 MET 197 HG2 0.03 0.28 -0.13 -0.04 2.63 2.77 2ft1G1 MET 197 HG3 0.03 -0.04 -0.13 -0.04 2.56 2.38 2ft1G1 MET 197 HE3 0.04 -0.01 -0.04 -0.04 2.10 2.05 2ft1G1 ASP 198 H 0.02 0.51 0.02 -0.55 8.40 8.40 2ft1G1 ASP 198 HA 0.02 0.02 0.43 -0.75 4.63 4.35 2ft1G1 ASP 198 HB2 0.02 0.07 0.12 -0.04 2.71 2.87 2ft1G1 ASP 198 HB3 0.01 -0.05 0.05 -0.04 2.70 2.68 2ft1G1 ASP 199 H 0.01 0.37 -0.31 -0.55 8.40 7.92 2ft1G1 ASP 199 HA 0.01 0.05 0.47 -0.75 4.63 4.40 2ft1G1 ASP 199 HB2 0.01 0.08 0.07 -0.04 2.71 2.83 2ft1G1 ASP 199 HB3 0.00 -0.05 -0.01 -0.04 2.70 2.61 2ft1G1 ALA 200 H 0.01 0.48 -0.14 -0.55 8.40 8.21 2ft1G1 ALA 200 HA 0.00 0.20 0.94 -0.75 4.34 4.73 2ft1G1 ALA 200 HB3 -0.00 -0.02 0.11 -0.04 1.41 1.45 2ft1G1 PRO 201 HA 0.02 0.13 0.43 -0.51 4.44 4.51 2ft1G1 PRO 201 HB2 0.01 -0.04 0.07 -0.04 2.28 2.28 2ft1G1 PRO 201 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 2ft1G1 PRO 201 HG2 0.01 0.03 0.06 -0.04 2.03 2.08 2ft1G1 PRO 201 HG3 0.01 0.15 0.02 -0.04 2.03 2.17 2ft1G1 PRO 201 HD2 0.01 0.02 0.16 -0.04 3.68 3.83 2ft1G1 PRO 201 HD3 0.01 0.41 -0.48 -0.04 3.65 3.54 2ft1G1 MET 202 H 0.01 0.17 -0.12 -0.55 8.47 7.99 2ft1G1 MET 202 HA 0.03 0.08 0.40 -0.75 4.52 4.27 2ft1G1 MET 202 HB2 0.02 0.04 -0.00 -0.04 2.15 2.16 2ft1G1 MET 202 HB3 0.01 0.05 0.08 -0.04 2.03 2.12 2ft1G1 MET 202 HG2 0.00 -0.01 0.03 -0.04 2.63 2.61 2ft1G1 MET 202 HG3 -0.00 -0.03 -0.07 -0.04 2.56 2.42 2ft1G1 MET 202 HE3 -0.04 0.00 -0.04 -0.04 2.10 1.98 2ft1G1 LEU 203 H 0.02 0.20 -0.33 -0.55 8.37 7.70 2ft1G1 LEU 203 HA 0.04 0.04 0.37 -0.75 4.35 4.05 2ft1G1 LEU 203 HB2 -0.01 -0.03 0.09 -0.04 1.64 1.66 2ft1G1 LEU 203 HB3 0.02 0.29 0.16 -0.04 1.64 2.08 2ft1G1 LEU 203 HG 0.06 -0.02 -0.25 -0.04 1.64 1.38 2ft1G1 LEU 203 HD13 0.01 -0.02 0.03 -0.04 0.93 0.91 2ft1G1 LEU 203 HD23 0.00 0.01 -0.03 -0.04 0.89 0.83 2ft1G1 GLN 204 H 0.04 0.42 -0.10 -0.55 8.47 8.28 2ft1G1 GLN 204 HA 0.06 -0.02 0.36 -0.75 4.36 4.01 2ft1G1 GLN 204 HB2 0.03 0.05 0.12 -0.04 2.15 2.32 2ft1G1 GLN 204 HB3 0.03 0.15 0.15 -0.04 2.02 2.31 2ft1G1 GLN 204 HG2 0.03 -0.02 -0.23 -0.04 2.40 2.15 2ft1G1 GLN 204 HG3 0.03 -0.06 -0.02 -0.04 2.39 2.31 2ft1G1 GLN 204 HE21 0.02 -0.00 -0.06 -0.04 6.97 6.88 2ft1G1 GLN 204 HE22 0.02 -0.01 -0.09 -0.04 7.69 7.57 2ft1G1 SER 205 H 0.05 0.38 -0.17 -0.55 8.46 8.18 2ft1G1 SER 205 HA 0.03 -0.02 0.32 -0.75 4.49 4.07 2ft1G1 SER 205 HB2 0.03 0.01 0.11 -0.04 3.95 4.06 2ft1G1 SER 205 HB3 0.06 0.20 0.12 -0.04 3.93 4.26 2ft1G1 TYR 206 H 0.17 0.40 -0.38 -0.55 8.29 7.92 2ft1G1 TYR 206 HA 0.00 0.02 0.42 -0.75 4.56 4.25 2ft1G1 TYR 206 HB2 -0.00 -0.01 0.09 -0.04 3.06 3.10 2ft1G1 TYR 206 HB3 -0.00 0.23 0.25 -0.04 2.98 3.42 2ft1G1 TYR 206 HD2 -0.01 0.02 -0.05 -0.04 7.15 7.07 2ft1G1 TYR 206 HE2 -0.01 0.00 -0.03 -0.04 6.85 6.77 2ft1G1 ILE 207 H 0.18 0.61 0.07 -0.55 8.25 8.55 2ft1G1 ILE 207 HA -0.08 -0.02 0.36 -0.75 4.18 3.69 2ft1G1 ILE 207 HB 0.04 0.09 0.10 -0.04 1.89 2.08 2ft1G1 ILE 207 HG12 0.19 -0.05 0.02 -0.04 1.49 1.61 2ft1G1 ILE 207 HG13 0.18 0.39 0.10 -0.04 1.21 1.84 2ft1G1 ILE 207 HG23 0.01 -0.02 -0.05 -0.04 0.93 0.83 2ft1G1 ILE 207 HD13 0.06 -0.03 -0.08 -0.04 0.88 0.79 2ft1G1 ASN 208 H -0.00 0.60 -0.25 -0.55 8.53 8.33 2ft1G1 ASN 208 HA -0.01 -0.00 0.38 -0.75 4.76 4.37 2ft1G1 ASN 208 HB2 -0.00 0.17 0.14 -0.04 2.88 3.14 2ft1G1 ASN 208 HB3 0.00 -0.04 -0.00 -0.04 2.79 2.71 2ft1G1 ASN 208 HD21 0.02 -0.04 -0.10 -0.04 7.03 6.87 2ft1G1 ASN 208 HD22 0.01 -0.04 -0.06 -0.04 7.74 7.61 2ft1G1 ASN 209 H -0.06 0.59 -0.04 -0.55 8.53 8.48 2ft1G1 ASN 209 HA -0.03 -0.03 0.34 -0.75 4.76 4.28 2ft1G1 ASN 209 HB2 -0.09 0.17 0.17 -0.04 2.88 3.09 2ft1G1 ASN 209 HB3 -0.08 -0.07 0.09 -0.04 2.79 2.69 2ft1G1 ASN 209 HD21 0.00 -0.07 -0.00 -0.04 7.03 6.92 2ft1G1 ASN 209 HD22 -0.00 0.16 -0.01 -0.04 7.74 7.84 2ft1G1 ARG 210 H -0.18 0.28 -0.92 -0.55 8.46 7.08 2ft1G1 ARG 210 HA -0.14 0.08 0.71 -0.75 4.34 4.23 2ft1G1 ARG 210 HB2 -0.64 0.09 0.00 -0.04 1.90 1.31 2ft1G1 ARG 210 HB3 -0.19 0.16 0.19 -0.04 1.80 1.92 2ft1G1 ARG 210 HG2 -0.07 -0.02 -0.03 -0.04 1.67 1.52 2ft1G1 ARG 210 HG3 -0.02 -0.08 -0.18 -0.04 1.67 1.35 2ft1G1 ARG 210 HD2 -0.06 -0.06 0.08 -0.04 3.22 3.14 2ft1G1 ARG 210 HD3 -0.23 0.06 -0.00 -0.04 3.22 3.01 2ft1G1 LEU 211 H -0.05 0.65 0.16 -0.55 8.37 8.58 2ft1G1 LEU 211 HA 0.06 -0.03 0.37 -0.75 4.35 4.00 2ft1G1 LEU 211 HB2 -0.01 0.15 0.12 -0.04 1.64 1.86 2ft1G1 LEU 211 HB3 0.03 -0.02 -0.02 -0.04 1.64 1.59 2ft1G1 LEU 211 HG -0.10 0.12 0.06 -0.04 1.64 1.68 2ft1G1 LEU 211 HD13 -0.14 -0.00 -0.14 -0.04 0.93 0.61 2ft1G1 LEU 211 HD23 -0.48 -0.02 -0.07 -0.04 0.89 0.28 2ft1G1 MET 212 H 0.03 0.40 -0.38 -0.55 8.47 7.97 2ft1G1 MET 212 HA 0.05 0.05 0.32 -0.75 4.52 4.20 2ft1G1 MET 212 HB2 0.03 0.09 -0.05 -0.04 2.15 2.19 2ft1G1 MET 212 HB3 0.03 -0.03 -0.04 -0.04 2.03 1.95 2ft1G1 MET 212 HG2 0.01 0.35 -0.02 -0.04 2.63 2.93 2ft1G1 MET 212 HG3 0.01 -0.02 -0.09 -0.04 2.56 2.43 2ft1G1 MET 212 HE3 0.02 -0.02 -0.16 -0.04 2.10 1.90 2ft1G1 TYR 213 H 0.14 0.36 -0.36 -0.55 8.29 7.88 2ft1G1 TYR 213 HA -0.02 0.01 0.48 -0.75 4.56 4.27 2ft1G1 TYR 213 HB2 -0.04 0.03 0.10 -0.04 3.06 3.11 2ft1G1 TYR 213 HB3 -0.04 0.27 0.21 -0.04 2.98 3.38 2ft1G1 TYR 213 HD2 -0.02 0.04 -0.02 -0.04 7.15 7.11 2ft1G1 TYR 213 HE2 -0.01 -0.01 -0.02 -0.04 6.85 6.76 2ft1G1 GLY 214 H 0.12 0.63 0.04 -0.55 8.43 8.67 2ft1G1 GLY 214 HA2 -0.17 -0.02 0.32 -0.51 4.01 3.63 2ft1G1 GLY 214 HA3 0.07 0.06 0.27 -0.51 4.01 3.90 2ft1G1 LEU 215 H -0.01 0.41 -0.67 -0.55 8.37 7.56 2ft1G1 LEU 215 HA -0.25 0.05 0.58 -0.75 4.35 3.96 2ft1G1 LEU 215 HB2 -0.14 0.03 -0.01 -0.04 1.64 1.49 2ft1G1 LEU 215 HB3 -0.01 0.16 0.11 -0.04 1.64 1.87 2ft1G1 LEU 215 HG -0.11 -0.12 -0.19 -0.04 1.64 1.18 2ft1G1 LEU 215 HD13 -0.02 0.01 -0.19 -0.04 0.93 0.68 2ft1G1 LEU 215 HD23 -0.03 -0.00 -0.23 -0.04 0.89 0.58 2ft1G1 ALA 216 H -0.08 0.61 0.03 -0.55 8.40 8.41 2ft1G1 ALA 216 HA -0.08 -0.03 0.35 -0.75 4.34 3.83 2ft1G1 ALA 216 HB3 -0.06 0.03 0.14 -0.04 1.41 1.48 2ft1G1 LEU 217 H -0.25 0.42 -0.62 -0.55 8.37 7.38 2ft1G1 LEU 217 HA -0.17 0.01 0.53 -0.75 4.35 3.96 2ft1G1 LEU 217 HB2 -0.24 0.19 0.05 -0.04 1.64 1.60 2ft1G1 LEU 217 HB3 -0.18 -0.07 -0.02 -0.04 1.64 1.34 2ft1G1 LEU 217 HG -0.85 0.23 -0.05 -0.04 1.64 0.92 2ft1G1 LEU 217 HD13 -0.36 -0.00 -0.03 -0.04 0.93 0.49 2ft1G1 LEU 217 HD23 -0.23 -0.04 -0.01 -0.04 0.89 0.58 2ft1G1 LYS 218 H -0.14 0.43 -0.05 -0.55 8.42 8.10 2ft1G1 LYS 218 HA -0.08 0.00 0.55 -0.75 4.32 4.03 2ft1G1 LYS 218 HB2 -0.13 0.15 0.12 -0.04 1.87 1.97 2ft1G1 LYS 218 HB3 -0.08 -0.04 0.11 -0.04 1.79 1.74 2ft1G1 LYS 218 HG2 -0.11 0.05 0.06 -0.04 1.46 1.42 2ft1G1 LYS 218 HG3 -0.10 0.03 0.05 -0.04 1.46 1.41 2ft1G1 LYS 218 HD2 -0.06 -0.00 0.03 -0.04 1.69 1.62 2ft1G1 LYS 218 HD3 -0.07 -0.06 -0.03 -0.04 1.68 1.48 2ft1G1 LYS 218 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2ft1G1 LYS 218 HE3 -0.06 0.00 -0.03 -0.04 2.99 2.86 2ft1G1 GLU 219 H -0.10 0.25 -0.64 -0.55 8.60 7.57 2ft1G1 GLU 219 HA -0.05 0.08 0.42 -0.75 4.29 3.97 2ft1G1 GLU 219 HB2 -0.07 0.07 -0.06 -0.04 2.09 1.99 2ft1G1 GLU 219 HB3 -0.07 0.21 0.12 -0.04 1.99 2.21 2ft1G1 GLU 219 HG2 -0.05 -0.07 -0.24 -0.04 2.34 1.94 2ft1G1 GLU 219 HG3 -0.04 0.01 -0.06 -0.04 2.34 2.21 2ft1G1 GLU 220 H -0.07 0.42 -0.17 -0.55 8.60 8.23 2ft1G1 GLU 220 HA -0.05 0.01 0.35 -0.75 4.29 3.84 2ft1G1 GLU 220 HB2 -0.07 0.20 0.16 -0.04 2.09 2.34 2ft1G1 GLU 220 HB3 -0.06 -0.06 -0.01 -0.04 1.99 1.81 2ft1G1 GLU 220 HG2 -0.07 -0.18 0.09 -0.04 2.34 2.13 2ft1G1 GLU 220 HG3 -0.07 0.32 0.19 -0.04 2.34 2.74 2ft1G1 GLY 221 H -0.06 0.35 -0.22 -0.55 8.43 7.96 2ft1G1 GLY 221 HA2 -0.03 -0.02 0.27 -0.51 4.01 3.72 2ft1G1 GLY 221 HA3 -0.04 0.10 0.23 -0.51 4.01 3.80 2ft1G1 GLN 222 H -0.03 0.35 -0.63 -0.55 8.47 7.61 2ft1G1 GLN 222 HA -0.01 0.05 0.45 -0.75 4.36 4.11 2ft1G1 GLN 222 HB2 -0.02 0.19 0.10 -0.04 2.15 2.39 2ft1G1 GLN 222 HB3 -0.00 -0.09 -0.06 -0.04 2.02 1.82 2ft1G1 GLN 222 HG2 -0.02 0.13 -0.00 -0.04 2.40 2.47 2ft1G1 GLN 222 HG3 -0.01 0.04 -0.02 -0.04 2.39 2.36 2ft1G1 GLN 222 HE21 -0.01 -0.04 -0.00 -0.04 6.97 6.88 2ft1G1 GLN 222 HE22 -0.02 0.04 -0.13 -0.04 7.69 7.54 2ft1G1 LEU 223 H -0.02 0.45 -0.01 -0.55 8.37 8.24 2ft1G1 LEU 223 HA 0.01 0.01 0.22 -0.75 4.35 3.84 2ft1G1 LEU 223 HB2 -0.03 0.02 0.09 -0.04 1.64 1.68 2ft1G1 LEU 223 HB3 -0.02 -0.02 -0.03 -0.04 1.64 1.52 2ft1G1 LEU 223 HG -0.03 0.10 0.01 -0.04 1.64 1.68 2ft1G1 LEU 223 HD13 -0.05 -0.03 -0.19 -0.04 0.93 0.62 2ft1G1 LEU 223 HD23 -0.03 -0.00 -0.11 -0.04 0.89 0.71 2ft1G1 LEU 224 H -0.01 0.37 -0.78 -0.55 8.37 7.41 2ft1G1 LEU 224 HA 0.02 0.06 0.74 -0.75 4.35 4.41 2ft1G1 LEU 224 HB2 -0.02 -0.03 -0.12 -0.04 1.64 1.43 2ft1G1 LEU 224 HB3 -0.01 0.06 -0.04 -0.04 1.64 1.61 2ft1G1 LEU 224 HG 0.01 0.01 -0.28 -0.04 1.64 1.34 2ft1G1 LEU 224 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 2ft1G1 LEU 224 HD23 0.00 0.01 -0.34 -0.04 0.89 0.51 2ft1G1 ASN 225 H 0.00 0.45 -0.02 -0.55 8.53 8.41 2ft1G1 ASN 225 HA 0.01 0.15 0.82 -0.75 4.76 4.99 2ft1G1 ASN 225 HB2 0.00 0.05 0.20 -0.04 2.88 3.09 2ft1G1 ASN 225 HB3 0.00 0.01 0.11 -0.04 2.79 2.87 2ft1G1 ASN 225 HD21 0.01 -0.05 -0.14 -0.04 7.03 6.81 2ft1G1 ASN 225 HD22 0.01 0.07 -0.18 -0.04 7.74 7.60 2ft1G1 GLY 226 H 0.02 0.10 -0.28 -0.55 8.43 7.72 2ft1G1 GLY 226 HA2 0.01 -0.09 0.57 -0.51 4.01 3.99 2ft1G1 GLY 226 HA3 0.03 -0.02 0.23 -0.51 4.01 3.74 2ft1G1 ASP 227 H 0.01 0.05 0.29 -0.55 8.40 8.21 2ft1G1 ASP 227 HA 0.01 0.12 0.35 -0.75 4.63 4.35 2ft1G1 ASP 227 HB2 0.01 0.06 0.19 -0.04 2.71 2.92 2ft1G1 ASP 227 HB3 0.01 -0.23 0.13 -0.04 2.70 2.56 2ft1G1 GLY 228 H 0.02 0.13 -0.47 -0.55 8.43 7.56 2ft1G1 GLY 228 HA2 0.03 -0.02 -0.29 -0.51 4.01 3.23 2ft1G1 GLY 228 HA3 0.02 0.12 0.40 -0.51 4.01 4.04 2ft1G1 THR 229 H 0.01 -0.20 -0.29 -0.55 8.28 7.25 2ft1G1 THR 229 HA 0.01 0.24 0.49 -0.75 4.39 4.38 2ft1G1 THR 229 HB 0.01 0.10 -0.01 -0.04 4.32 4.37 2ft1G1 THR 229 HG23 0.01 -0.13 0.06 -0.04 1.22 1.12 2ft1G1 GLY 230 H 0.01 0.09 0.12 -0.55 8.43 8.10 2ft1G1 GLY 230 HA2 0.01 0.16 0.43 -0.51 4.01 4.10 2ft1G1 GLY 230 HA3 0.01 -0.01 0.31 -0.51 4.01 3.82 2ft1G1 ASP 231 H 0.01 -0.17 -0.17 -0.55 8.40 7.53 2ft1G1 ASP 231 HA 0.01 0.25 0.91 -0.75 4.63 5.06 2ft1G1 ASP 231 HB2 0.01 -0.11 0.09 -0.04 2.71 2.66 2ft1G1 ASP 231 HB3 0.01 0.04 0.02 -0.04 2.70 2.73 2ft1G1 ASN 232 H 0.01 -0.14 0.03 -0.55 8.53 7.89 2ft1G1 ASN 232 HA 0.01 0.10 0.41 -0.75 4.76 4.53 2ft1G1 ASN 232 HB2 0.01 -0.21 0.13 -0.04 2.88 2.77 2ft1G1 ASN 232 HB3 0.01 -0.03 0.26 -0.04 2.79 2.98 2ft1G1 ASN 232 HD21 0.00 0.06 0.04 -0.04 7.03 7.09 2ft1G1 ASN 232 HD22 0.00 0.05 0.05 -0.04 7.74 7.80 2ft1G1 LEU 233 H 0.02 0.04 0.13 -0.55 8.37 8.01 2ft1G1 LEU 233 HA 0.04 0.29 0.61 -0.75 4.35 4.53 2ft1G1 LEU 233 HB2 0.02 -0.07 -0.00 -0.04 1.64 1.55 2ft1G1 LEU 233 HB3 0.05 0.06 -0.20 -0.04 1.64 1.50 2ft1G1 LEU 233 HG 0.03 0.08 -0.03 -0.04 1.64 1.68 2ft1G1 LEU 233 HD13 0.02 -0.00 -0.12 -0.04 0.93 0.78 2ft1G1 LEU 233 HD23 0.06 0.04 0.13 -0.04 0.89 1.08 2ft1G1 GLU 234 H 0.09 0.21 0.03 -0.55 8.60 8.38 2ft1G1 GLU 234 HA 0.05 0.20 0.62 -0.75 4.29 4.40 2ft1G1 GLU 234 HB2 0.09 0.01 0.09 -0.04 2.09 2.23 2ft1G1 GLU 234 HB3 0.19 0.00 0.17 -0.04 1.99 2.32 2ft1G1 GLU 234 HG2 -0.04 0.03 -0.14 -0.04 2.34 2.15 2ft1G1 GLU 234 HG3 0.01 0.07 -0.05 -0.04 2.34 2.33 2ft1G1 GLY 235 H 0.05 0.31 -0.03 -0.55 8.43 8.20 2ft1G1 GLY 235 HA2 0.10 0.10 0.24 -0.51 4.01 3.94 2ft1G1 GLY 235 HA3 0.04 -0.43 0.05 -0.51 4.01 3.17 2ft1G1 LEU 236 H 0.10 0.58 0.22 -0.55 8.37 8.72 2ft1G1 LEU 236 HA 0.10 0.06 0.34 -0.75 4.35 4.10 2ft1G1 LEU 236 HB2 0.11 -0.04 0.21 -0.04 1.64 1.88 2ft1G1 LEU 236 HB3 0.17 -0.04 -0.01 -0.04 1.64 1.72 2ft1G1 LEU 236 HG 0.13 0.32 0.20 -0.04 1.64 2.24 2ft1G1 LEU 236 HD13 0.22 -0.04 -0.06 -0.04 0.93 1.01 2ft1G1 LEU 236 HD23 0.30 -0.00 -0.04 -0.04 0.89 1.11 2ft1G1 ASN 237 H 0.03 0.52 0.06 -0.55 8.53 8.59 2ft1G1 ASN 237 HA -0.01 0.02 0.28 -0.75 4.76 4.30 2ft1G1 ASN 237 HB2 0.01 0.15 0.04 -0.04 2.88 3.03 2ft1G1 ASN 237 HB3 -0.01 0.01 -0.09 -0.04 2.79 2.66 2ft1G1 ASN 237 HD21 0.03 -0.07 -0.11 -0.04 7.03 6.83 2ft1G1 ASN 237 HD22 0.03 0.07 0.01 -0.04 7.74 7.82 2ft1G1 LYS 238 H -0.02 0.21 -0.60 -0.55 8.42 7.46 2ft1G1 LYS 238 HA -0.02 0.05 0.48 -0.75 4.32 4.07 2ft1G1 LYS 238 HB2 -0.01 -0.06 -0.06 -0.04 1.87 1.70 2ft1G1 LYS 238 HB3 -0.03 0.13 -0.07 -0.04 1.79 1.78 2ft1G1 LYS 238 HG2 -0.01 0.06 -0.08 -0.04 1.46 1.39 2ft1G1 LYS 238 HG3 -0.03 -0.01 -0.10 -0.04 1.46 1.28 2ft1G1 LYS 238 HD2 -0.02 0.02 0.06 -0.04 1.69 1.71 2ft1G1 LYS 238 HD3 -0.01 -0.06 -0.04 -0.04 1.68 1.54 2ft1G1 LYS 238 HE2 -0.00 0.09 0.02 -0.04 2.99 3.06 2ft1G1 LYS 238 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 2ft1G1 VAL 239 H -0.11 0.28 -0.16 -0.55 8.24 7.70 2ft1G1 VAL 239 HA -0.12 0.08 0.60 -0.75 4.13 3.93 2ft1G1 VAL 239 HB -0.36 0.01 0.06 -0.04 2.12 1.79 2ft1G1 VAL 239 HG13 -0.27 -0.04 -0.14 -0.04 0.97 0.48 2ft1G1 VAL 239 HG23 -0.68 0.04 -0.17 -0.04 0.95 0.10 2ft1G1 ALA 240 H -0.07 0.58 0.05 -0.55 8.40 8.41 2ft1G1 ALA 240 HA -0.06 0.11 0.31 -0.75 4.34 3.95 2ft1G1 ALA 240 HB3 -0.03 -0.04 -0.25 -0.04 1.41 1.04 2ft1G1 THR 241 H -0.04 0.70 0.36 -0.55 8.28 8.75 2ft1G1 THR 241 HA -0.03 0.03 0.62 -0.75 4.39 4.26 2ft1G1 THR 241 HB -0.02 0.05 0.19 -0.04 4.32 4.49 2ft1G1 THR 241 HG23 -0.02 0.01 0.05 -0.04 1.22 1.21 2ft1G1 ALA 242 H -0.02 0.07 0.18 -0.55 8.40 8.09 2ft1G1 ALA 242 HA -0.00 0.15 0.58 -0.75 4.34 4.31 2ft1G1 ALA 242 HB3 0.00 -0.01 0.12 -0.04 1.41 1.48 2ft1G1 TYR 243 H 0.11 0.33 0.30 -0.55 8.29 8.48 2ft1G1 TYR 243 HA 0.01 0.06 0.42 -0.75 4.56 4.30 2ft1G1 TYR 243 HB2 0.02 0.01 -0.12 -0.04 3.06 2.93 2ft1G1 TYR 243 HB3 0.02 -0.08 0.12 -0.04 2.98 3.00 2ft1G1 TYR 243 HD2 0.10 -0.03 -0.14 -0.04 7.15 7.05 2ft1G1 TYR 243 HE2 0.12 -0.05 -0.14 -0.04 6.85 6.74 2ft1G1 ASP 244 H -0.42 0.16 0.14 -0.55 8.40 7.74 2ft1G1 ASP 244 HA -0.21 0.08 0.60 -0.75 4.63 4.34 2ft1G1 ASP 244 HB2 -0.16 0.13 0.12 -0.04 2.71 2.76 2ft1G1 ASP 244 HB3 -0.29 0.01 0.16 -0.04 2.70 2.53 2ft1G1 THR 245 H -0.16 0.21 0.21 -0.55 8.28 8.00 2ft1G1 THR 245 HA -0.10 0.12 0.47 -0.75 4.39 4.13 2ft1G1 THR 245 HB -0.03 -0.01 0.11 -0.04 4.32 4.35 2ft1G1 THR 245 HG23 0.05 0.01 -0.00 -0.04 1.22 1.23 2ft1G1 SER 246 H -0.11 0.08 -0.05 -0.55 8.46 7.84 2ft1G1 SER 246 HA -0.05 0.12 0.35 -0.75 4.49 4.16 2ft1G1 SER 246 HB2 -0.05 0.05 0.11 -0.04 3.95 4.02 2ft1G1 SER 246 HB3 -0.05 -0.03 0.10 -0.04 3.93 3.91 2ft1G1 LEU 247 H -0.19 0.12 -0.87 -0.55 8.37 6.88 2ft1G1 LEU 247 HA -0.18 0.09 0.50 -0.75 4.35 4.00 2ft1G1 LEU 247 HB2 -0.23 0.16 0.01 -0.04 1.64 1.55 2ft1G1 LEU 247 HB3 -0.35 -0.06 -0.01 -0.04 1.64 1.19 2ft1G1 LEU 247 HG -0.13 -0.10 -0.09 -0.04 1.64 1.27 2ft1G1 LEU 247 HD13 0.03 0.01 -0.01 -0.04 0.93 0.92 2ft1G1 LEU 247 HD23 0.01 0.01 -0.04 -0.04 0.89 0.82 2ft1G1 ASN 248 H -0.06 0.43 -0.07 -0.55 8.53 8.28 2ft1G1 ASN 248 HA 0.06 -0.08 0.39 -0.75 4.76 4.38 2ft1G1 ASN 248 HB2 0.05 0.14 0.17 -0.04 2.88 3.20 2ft1G1 ASN 248 HB3 0.08 0.05 0.01 -0.04 2.79 2.89 2ft1G1 ASN 248 HD21 0.43 -0.06 0.05 -0.04 7.03 7.41 2ft1G1 ASN 248 HD22 0.15 0.17 0.20 -0.04 7.74 8.22 2ft1G1 ALA 249 H 0.14 -0.01 0.09 -0.55 8.40 8.08 2ft1G1 ALA 249 HA 0.01 0.22 0.69 -0.75 4.34 4.50 2ft1G1 ALA 249 HB3 0.06 -0.02 0.10 -0.04 1.41 1.51 2ft1G1 THR 250 H 0.03 0.19 0.13 -0.55 8.28 8.08 2ft1G1 THR 250 HA 0.03 0.19 0.95 -0.75 4.39 4.81 2ft1G1 THR 250 HB 0.02 0.00 0.08 -0.04 4.32 4.38 2ft1G1 THR 250 HG23 0.02 0.01 -0.02 -0.04 1.22 1.18 2ft1G1 GLY 251 H 0.03 0.18 0.12 -0.55 8.43 8.22 2ft1G1 GLY 251 HA2 0.03 0.03 0.29 -0.51 4.01 3.85 2ft1G1 GLY 251 HA3 0.02 0.06 0.36 -0.51 4.01 3.94 2ft1G1 ASP 252 H 0.05 0.13 -0.29 -0.55 8.40 7.75 2ft1G1 ASP 252 HA 0.04 0.16 0.92 -0.75 4.63 4.99 2ft1G1 ASP 252 HB2 0.05 -0.06 -0.02 -0.04 2.71 2.63 2ft1G1 ASP 252 HB3 0.06 0.09 -0.11 -0.04 2.70 2.69 2ft1G1 THR 253 H 0.03 0.11 0.11 -0.55 8.28 7.98 2ft1G1 THR 253 HA 0.05 0.20 0.36 -0.75 4.39 4.25 2ft1G1 THR 253 HB 0.03 -0.07 0.23 -0.04 4.32 4.48 2ft1G1 THR 253 HG23 0.02 0.06 0.07 -0.04 1.22 1.32 2ft1G1 ARG 254 H 0.08 0.20 0.16 -0.55 8.46 8.35 2ft1G1 ARG 254 HA 0.09 0.16 0.47 -0.75 4.34 4.30 2ft1G1 ARG 254 HB2 0.19 -0.00 0.05 -0.04 1.90 2.10 2ft1G1 ARG 254 HB3 0.65 0.04 0.02 -0.04 1.80 2.46 2ft1G1 ARG 254 HG2 0.25 0.09 0.03 -0.04 1.67 2.00 2ft1G1 ARG 254 HG3 0.11 -0.04 0.10 -0.04 1.67 1.80 2ft1G1 ARG 254 HD2 0.02 0.05 -0.02 -0.04 3.22 3.23 2ft1G1 ARG 254 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.11 2ft1G1 ALA 255 H 0.08 0.11 -0.07 -0.55 8.40 7.97 2ft1G1 ALA 255 HA 0.16 0.10 0.34 -0.75 4.34 4.19 2ft1G1 ALA 255 HB3 0.04 0.04 0.01 -0.04 1.41 1.45 2ft1G1 ASP 256 H 0.04 0.05 -0.49 -0.55 8.40 7.46 2ft1G1 ASP 256 HA -0.07 0.06 0.28 -0.75 4.63 4.15 2ft1G1 ASP 256 HB2 -0.01 0.31 -0.14 -0.04 2.71 2.83 2ft1G1 ASP 256 HB3 -0.13 0.05 -0.10 -0.04 2.70 2.47 2ft1G1 ILE 257 H -0.07 0.29 -0.43 -0.55 8.25 7.49 2ft1G1 ILE 257 HA 0.07 0.06 0.33 -0.75 4.18 3.88 2ft1G1 ILE 257 HB -0.42 0.16 0.09 -0.04 1.89 1.67 2ft1G1 ILE 257 HG12 0.03 -0.02 0.01 -0.04 1.49 1.47 2ft1G1 ILE 257 HG13 -0.04 0.17 0.11 -0.04 1.21 1.40 2ft1G1 ILE 257 HG23 -0.56 -0.01 -0.14 -0.04 0.93 0.19 2ft1G1 ILE 257 HD13 -0.15 -0.01 0.03 -0.04 0.88 0.72 2ft1G1 ILE 258 H -0.13 0.36 -0.20 -0.55 8.25 7.74 2ft1G1 ILE 258 HA -0.16 0.03 0.33 -0.75 4.18 3.62 2ft1G1 ILE 258 HB 0.23 0.12 0.04 -0.04 1.89 2.24 2ft1G1 ILE 258 HG12 -0.44 -0.02 -0.09 -0.04 1.49 0.90 2ft1G1 ILE 258 HG13 -0.15 0.17 0.02 -0.04 1.21 1.20 2ft1G1 ILE 258 HG23 0.19 -0.01 -0.11 -0.04 0.93 0.95 2ft1G1 ILE 258 HD13 0.22 -0.02 -0.12 -0.04 0.88 0.92 2ft1G1 ALA 259 H -0.02 0.44 -0.29 -0.55 8.40 7.99 2ft1G1 ALA 259 HA -0.43 0.02 0.37 -0.75 4.34 3.54 2ft1G1 ALA 259 HB3 -0.48 0.05 0.06 -0.04 1.41 0.99 2ft1G1 HIS 260 H -0.17 0.43 -0.29 -0.55 8.41 7.84 2ft1G1 HIS 260 HA 0.09 0.03 0.39 -0.75 4.63 4.39 2ft1G1 HIS 260 HB2 0.28 0.21 0.12 -0.04 3.26 3.83 2ft1G1 HIS 260 HB3 0.25 -0.05 -0.03 -0.04 3.20 3.32 2ft1G1 HIS 260 HD2 0.14 -0.10 -0.19 -0.04 6.97 6.78 2ft1G1 HIS 260 HE1 -0.04 -0.05 -0.03 -0.04 7.75 7.59 2ft1G1 ALA 261 H 0.19 0.40 -0.25 -0.55 8.40 8.19 2ft1G1 ALA 261 HA 0.34 0.01 0.38 -0.75 4.34 4.32 2ft1G1 ALA 261 HB3 0.22 0.04 0.02 -0.04 1.41 1.66 2ft1G1 ILE 262 H 0.09 0.56 -0.14 -0.55 8.25 8.21 2ft1G1 ILE 262 HA 0.08 -0.01 0.33 -0.75 4.18 3.83 2ft1G1 ILE 262 HB -0.04 0.16 0.11 -0.04 1.89 2.07 2ft1G1 ILE 262 HG12 0.13 -0.06 -0.02 -0.04 1.49 1.51 2ft1G1 ILE 262 HG13 0.09 0.31 0.08 -0.04 1.21 1.65 2ft1G1 ILE 262 HG23 0.04 -0.01 -0.04 -0.04 0.93 0.88 2ft1G1 ILE 262 HD13 0.08 -0.02 -0.08 -0.04 0.88 0.81 2ft1G1 TYR 263 H 0.18 0.36 -0.38 -0.55 8.29 7.90 2ft1G1 TYR 263 HA -0.00 0.03 0.53 -0.75 4.56 4.36 2ft1G1 TYR 263 HB2 -0.02 -0.02 0.09 -0.04 3.06 3.07 2ft1G1 TYR 263 HB3 0.05 0.17 0.18 -0.04 2.98 3.33 2ft1G1 TYR 263 HD2 -0.00 0.03 -0.01 -0.04 7.15 7.13 2ft1G1 TYR 263 HE2 -0.02 -0.01 -0.04 -0.04 6.85 6.74 2ft1G1 GLN 264 H 0.11 0.48 -0.10 -0.55 8.47 8.41 2ft1G1 GLN 264 HA -0.27 -0.02 0.41 -0.75 4.36 3.72 2ft1G1 GLN 264 HB2 0.09 0.03 0.14 -0.04 2.15 2.37 2ft1G1 GLN 264 HB3 0.09 0.13 0.10 -0.04 2.02 2.31 2ft1G1 GLN 264 HG2 -0.03 0.07 0.01 -0.04 2.40 2.42 2ft1G1 GLN 264 HG3 -0.06 -0.06 0.09 -0.04 2.39 2.32 2ft1G1 GLN 264 HE21 0.01 0.17 -0.02 -0.04 6.97 7.09 2ft1G1 GLN 264 HE22 -0.01 0.07 -0.06 -0.04 7.69 7.65 2ft1G1 VAL 265 H -0.02 0.28 -0.59 -0.55 8.24 7.37 2ft1G1 VAL 265 HA -0.03 0.15 0.44 -0.75 4.13 3.94 2ft1G1 VAL 265 HB 0.01 0.17 0.13 -0.04 2.12 2.39 2ft1G1 VAL 265 HG13 0.00 0.01 -0.12 -0.04 0.97 0.82 2ft1G1 VAL 265 HG23 0.02 0.07 -0.11 -0.04 0.95 0.88 2ft1G1 THR 266 H -0.09 0.32 -0.12 -0.55 8.28 7.84 2ft1G1 THR 266 HA -0.01 0.07 0.35 -0.75 4.39 4.06 2ft1G1 THR 266 HB -0.23 0.15 0.12 -0.04 4.32 4.33 2ft1G1 THR 266 HG23 -0.01 -0.03 -0.02 -0.04 1.22 1.12 2ft1G1 GLU 267 H -0.18 0.29 -0.52 -0.55 8.60 7.65 2ft1G1 GLU 267 HA -0.08 0.02 0.40 -0.75 4.29 3.89 2ft1G1 GLU 267 HB2 -0.11 0.22 0.05 -0.04 2.09 2.21 2ft1G1 GLU 267 HB3 -0.07 -0.05 0.08 -0.04 1.99 1.91 2ft1G1 GLU 267 HG2 -0.18 -0.05 0.01 -0.04 2.34 2.09 2ft1G1 GLU 267 HG3 -0.37 0.07 0.03 -0.04 2.34 2.03 2ft1G1 SER 268 H -0.00 0.66 -0.36 -0.55 8.46 8.21 2ft1G1 SER 268 HA 0.05 0.07 0.56 -0.75 4.49 4.41 2ft1G1 SER 268 HB2 0.04 -0.15 -0.06 -0.04 3.95 3.74 2ft1G1 SER 268 HB3 0.00 0.13 -0.25 -0.04 3.93 3.77 2ft1G1 GLU 269 H 0.04 0.51 -0.40 -0.55 8.60 8.21 2ft1G1 GLU 269 HA 0.01 0.05 0.29 -0.75 4.29 3.89 2ft1G1 GLU 269 HB2 0.11 0.24 0.18 -0.04 2.09 2.58 2ft1G1 GLU 269 HB3 -0.00 -0.10 0.20 -0.04 1.99 2.05 2ft1G1 GLU 269 HG2 0.01 -0.05 -0.01 -0.04 2.34 2.25 2ft1G1 GLU 269 HG3 0.04 0.09 -0.32 -0.04 2.34 2.11 2ft1G1 PHE 270 H 0.14 0.23 -0.10 -0.55 8.34 8.05 2ft1G1 PHE 270 HA 0.00 0.13 0.77 -0.75 4.62 4.77 2ft1G1 PHE 270 HB2 -0.02 -0.01 -0.19 -0.04 3.15 2.89 2ft1G1 PHE 270 HB3 -0.02 -0.03 -0.20 -0.04 3.06 2.77 2ft1G1 PHE 270 HD2 0.01 0.10 -0.24 -0.04 7.28 7.11 2ft1G1 PHE 270 HE2 0.04 -0.01 -0.06 -0.04 7.38 7.30 2ft1G1 PHE 270 HZ 0.05 -0.01 -0.04 -0.04 7.32 7.28 2ft1G1 SER 271 H 0.02 0.16 0.06 -0.55 8.46 8.16 2ft1G1 SER 271 HA 0.05 0.04 0.55 -0.75 4.49 4.38 2ft1G1 SER 271 HB2 0.04 -0.01 0.14 -0.04 3.95 4.08 2ft1G1 SER 271 HB3 0.04 0.08 0.02 -0.04 3.93 4.04 2ft1G1 ALA 272 H 0.06 0.14 0.17 -0.55 8.40 8.23 2ft1G1 ALA 272 HA 0.04 -0.05 0.06 -0.75 4.34 3.63 2ft1G1 ALA 272 HB3 0.07 0.01 0.07 -0.04 1.41 1.52 2ft1G1 SER 273 H 0.10 0.61 0.34 -0.55 8.46 8.96 2ft1G1 SER 273 HA 0.13 0.08 0.73 -0.75 4.49 4.66 2ft1G1 SER 273 HB2 0.10 0.16 -0.10 -0.04 3.95 4.07 2ft1G1 SER 273 HB3 0.13 -0.15 0.19 -0.04 3.93 4.06 2ft1G1 GLY 274 H 0.18 0.12 0.10 -0.55 8.43 8.28 2ft1G1 GLY 274 HA2 0.07 0.14 0.46 -0.51 4.01 4.18 2ft1G1 GLY 274 HA3 0.22 0.14 0.95 -0.51 4.01 4.82 2ft1G1 ILE 275 H -0.01 0.40 0.29 -0.55 8.25 8.37 2ft1G1 ILE 275 HA 0.20 0.26 1.01 -0.75 4.18 4.90 2ft1G1 ILE 275 HB 0.01 -0.04 0.07 -0.04 1.89 1.88 2ft1G1 ILE 275 HG12 0.21 0.05 -0.06 -0.04 1.49 1.65 2ft1G1 ILE 275 HG13 0.16 -0.10 -0.59 -0.04 1.21 0.64 2ft1G1 ILE 275 HG23 0.16 -0.02 -0.16 -0.04 0.93 0.87 2ft1G1 ILE 275 HD13 0.22 -0.00 -0.16 -0.04 0.88 0.90 2ft1G1 VAL 276 H 0.15 0.74 0.36 -0.55 8.24 8.94 2ft1G1 VAL 276 HA -0.07 0.31 1.15 -0.75 4.13 4.76 2ft1G1 VAL 276 HB 0.04 -0.05 0.18 -0.04 2.12 2.26 2ft1G1 VAL 276 HG13 -0.03 0.01 -0.07 -0.04 0.97 0.83 2ft1G1 VAL 276 HG23 -0.22 0.00 -0.15 -0.04 0.95 0.54 2ft1G1 LEU 277 H -0.03 0.43 0.24 -0.55 8.37 8.47 2ft1G1 LEU 277 HA 0.16 0.25 0.94 -0.75 4.35 4.95 2ft1G1 LEU 277 HB2 0.14 -0.05 -0.16 -0.04 1.64 1.54 2ft1G1 LEU 277 HB3 0.16 -0.01 0.06 -0.04 1.64 1.81 2ft1G1 LEU 277 HG 0.07 -0.06 -0.46 -0.04 1.64 1.16 2ft1G1 LEU 277 HD13 0.35 -0.00 -0.15 -0.04 0.93 1.10 2ft1G1 LEU 277 HD23 0.29 0.09 -0.17 -0.04 0.89 1.06 2ft1G1 ASN 278 H 0.08 0.23 0.16 -0.55 8.53 8.46 2ft1G1 ASN 278 HA 0.04 0.38 0.56 -0.75 4.76 4.99 2ft1G1 ASN 278 HB2 0.04 0.39 -0.12 -0.04 2.88 3.14 2ft1G1 ASN 278 HB3 0.02 -0.22 0.18 -0.04 2.79 2.73 2ft1G1 ASN 278 HD21 0.01 -0.02 0.05 -0.04 7.03 7.03 2ft1G1 ASN 278 HD22 0.02 0.07 -0.05 -0.04 7.74 7.74 2ft1G1 PRO 279 HA 0.21 0.07 0.31 -0.51 4.44 4.51 2ft1G1 PRO 279 HB2 0.04 -0.01 0.02 -0.04 2.28 2.29 2ft1G1 PRO 279 HB3 0.08 0.10 -0.00 -0.04 2.02 2.15 2ft1G1 PRO 279 HG2 0.02 0.02 -0.14 -0.04 2.03 1.89 2ft1G1 PRO 279 HG3 0.02 0.06 -0.30 -0.04 2.03 1.77 2ft1G1 PRO 279 HD2 0.03 0.11 -0.02 -0.04 3.68 3.76 2ft1G1 PRO 279 HD3 0.02 0.33 -0.00 -0.04 3.65 3.96 2ft1G1 ARG 280 H 0.04 0.14 -0.23 -0.55 8.46 7.86 2ft1G1 ARG 280 HA 0.01 0.10 0.34 -0.75 4.34 4.04 2ft1G1 ARG 280 HB2 -0.00 0.02 0.07 -0.04 1.90 1.95 2ft1G1 ARG 280 HB3 0.00 -0.04 0.02 -0.04 1.80 1.75 2ft1G1 ARG 280 HG2 -0.01 0.03 -0.01 -0.04 1.67 1.63 2ft1G1 ARG 280 HG3 -0.00 0.01 -0.10 -0.04 1.67 1.53 2ft1G1 ARG 280 HD2 -0.02 -0.01 0.08 -0.04 3.22 3.22 2ft1G1 ARG 280 HD3 -0.04 0.00 0.02 -0.04 3.22 3.17 2ft1G1 ASP 281 H 0.03 0.17 -0.29 -0.55 8.40 7.77 2ft1G1 ASP 281 HA -0.08 0.07 0.49 -0.75 4.63 4.36 2ft1G1 ASP 281 HB2 -0.02 0.11 0.22 -0.04 2.71 2.98 2ft1G1 ASP 281 HB3 -0.23 0.02 -0.01 -0.04 2.70 2.43 2ft1G1 TRP 282 H 0.22 0.54 -0.04 -0.55 7.97 8.14 2ft1G1 TRP 282 HA -0.06 -0.02 0.25 -0.75 4.62 4.04 2ft1G1 TRP 282 HB2 -0.01 -0.05 -0.09 -0.04 3.23 3.04 2ft1G1 TRP 282 HB3 -0.02 0.06 -0.06 -0.04 3.23 3.17 2ft1G1 TRP 282 HD1 -0.02 0.02 -0.11 -0.04 7.22 7.07 2ft1G1 TRP 282 HE1 -0.04 0.02 -0.07 -0.04 10.20 10.07 2ft1G1 TRP 282 HE3 -0.02 -0.04 -0.06 -0.04 7.59 7.43 2ft1G1 TRP 282 HZ2 -0.04 0.00 0.00 -0.04 7.44 7.37 2ft1G1 TRP 282 HZ3 -0.03 -0.01 -0.09 -0.04 7.13 6.95 2ft1G1 TRP 282 HH2 -0.17 0.19 0.03 -0.04 7.19 7.20 2ft1G1 HIS 283 H 0.08 0.43 -0.60 -0.55 8.41 7.78 2ft1G1 HIS 283 HA -0.54 0.02 0.39 -0.75 4.63 3.75 2ft1G1 HIS 283 HB2 -0.09 0.03 0.06 -0.04 3.26 3.22 2ft1G1 HIS 283 HB3 -0.12 0.16 0.15 -0.04 3.20 3.35 2ft1G1 HIS 283 HD2 -0.11 0.00 -0.04 -0.04 6.97 6.77 2ft1G1 HIS 283 HE1 -0.16 0.01 -0.05 -0.04 7.75 7.51 2ft1G1 ASN 284 H -0.08 0.38 0.04 -0.55 8.53 8.33 2ft1G1 ASN 284 HA -0.32 0.03 0.32 -0.75 4.76 4.04 2ft1G1 ASN 284 HB2 -0.11 0.05 0.12 -0.04 2.88 2.90 2ft1G1 ASN 284 HB3 -0.11 -0.04 0.03 -0.04 2.79 2.64 2ft1G1 ASN 284 HD21 0.05 -0.02 0.04 -0.04 7.03 7.06 2ft1G1 ASN 284 HD22 -0.06 0.00 0.04 -0.04 7.74 7.68 2ft1G1 ILE 285 H -0.24 0.44 -0.47 -0.55 8.25 7.43 2ft1G1 ILE 285 HA -0.08 -0.04 0.38 -0.75 4.18 3.68 2ft1G1 ILE 285 HB -0.20 0.19 0.05 -0.04 1.89 1.90 2ft1G1 ILE 285 HG12 -0.02 -0.11 -0.08 -0.04 1.49 1.25 2ft1G1 ILE 285 HG13 -0.11 0.22 -0.14 -0.04 1.21 1.14 2ft1G1 ILE 285 HG23 0.17 -0.04 -0.16 -0.04 0.93 0.85 2ft1G1 ILE 285 HD13 0.05 -0.03 -0.19 -0.04 0.88 0.67 2ft1G1 ALA 286 H -0.77 0.58 -0.02 -0.55 8.40 7.64 2ft1G1 ALA 286 HA -1.07 -0.06 0.43 -0.75 4.34 2.89 2ft1G1 ALA 286 HB3 -1.20 0.03 0.13 -0.04 1.41 0.33 2ft1G1 LEU 287 H -0.45 0.28 -0.69 -0.55 8.37 6.96 2ft1G1 LEU 287 HA -0.59 0.14 0.77 -0.75 4.35 3.92 2ft1G1 LEU 287 HB2 -0.37 0.04 0.08 -0.04 1.64 1.35 2ft1G1 LEU 287 HB3 -0.37 -0.05 0.14 -0.04 1.64 1.32 2ft1G1 LEU 287 HG -0.76 0.18 -0.11 -0.04 1.64 0.90 2ft1G1 LEU 287 HD13 -0.42 -0.03 -0.06 -0.04 0.93 0.38 2ft1G1 LEU 287 HD23 -0.56 0.01 -0.21 -0.04 0.89 0.09 2ft1G1 LEU 288 H -0.08 0.28 -0.30 -0.55 8.37 7.73 2ft1G1 LEU 288 HA -0.05 0.08 0.63 -0.75 4.35 4.25 2ft1G1 LEU 288 HB2 -0.01 -0.05 0.18 -0.04 1.64 1.71 2ft1G1 LEU 288 HB3 -0.02 -0.02 0.08 -0.04 1.64 1.64 2ft1G1 LEU 288 HG -0.03 0.32 0.25 -0.04 1.64 2.15 2ft1G1 LEU 288 HD13 0.00 -0.07 0.09 -0.04 0.93 0.92 2ft1G1 LEU 288 HD23 -0.02 0.00 0.05 -0.04 0.89 0.88 2ft1G1 LYS 289 H 0.01 0.19 0.28 -0.55 8.42 8.35 2ft1G1 LYS 289 HA 0.10 0.34 0.87 -0.75 4.32 4.88 2ft1G1 LYS 289 HB2 0.04 0.01 0.02 -0.04 1.87 1.91 2ft1G1 LYS 289 HB3 0.06 -0.15 -0.05 -0.04 1.79 1.60 2ft1G1 LYS 289 HG2 0.35 0.06 -0.28 -0.04 1.46 1.55 2ft1G1 LYS 289 HG3 0.09 0.11 -0.17 -0.04 1.46 1.45 2ft1G1 LYS 289 HD2 0.05 -0.04 -0.02 -0.04 1.69 1.64 2ft1G1 LYS 289 HD3 0.06 0.03 -0.00 -0.04 1.68 1.73 2ft1G1 LYS 289 HE2 0.44 0.01 -0.03 -0.04 2.99 3.36 2ft1G1 LYS 289 HE3 0.11 0.03 -0.01 -0.04 2.99 3.08 2ft1G1 ASP 290 H 0.02 0.21 0.11 -0.55 8.40 8.19 2ft1G1 ASP 290 HA 0.01 0.21 0.70 -0.75 4.63 4.80 2ft1G1 ASP 290 HB2 0.00 -0.18 0.28 -0.04 2.71 2.77 2ft1G1 ASP 290 HB3 0.01 0.12 0.09 -0.04 2.70 2.88 2ft1G1 ASN 291 H 0.00 0.17 0.17 -0.55 8.53 8.32 2ft1G1 ASN 291 HA 0.00 0.21 0.62 -0.75 4.76 4.84 2ft1G1 ASN 291 HB2 0.00 -0.02 0.10 -0.04 2.88 2.92 2ft1G1 ASN 291 HB3 0.00 0.05 0.15 -0.04 2.79 2.95 2ft1G1 ASN 291 HD21 0.01 0.04 0.03 -0.04 7.03 7.07 2ft1G1 ASN 291 HD22 0.00 -0.00 0.05 -0.04 7.74 7.75 2ft1G1 GLU 292 H -0.00 -0.15 -0.22 -0.55 8.60 7.68 2ft1G1 GLU 292 HA -0.01 0.31 0.94 -0.75 4.29 4.77 2ft1G1 GLU 292 HB2 -0.01 -0.10 0.07 -0.04 2.09 2.00 2ft1G1 GLU 292 HB3 -0.02 0.06 0.03 -0.04 1.99 2.01 2ft1G1 GLU 292 HG2 -0.00 -0.09 -0.13 -0.04 2.34 2.08 2ft1G1 GLU 292 HG3 -0.01 0.03 -0.01 -0.04 2.34 2.31 2ft1G1 GLY 293 H -0.01 -0.07 -0.07 -0.55 8.43 7.73 2ft1G1 GLY 293 HA2 -0.01 0.08 0.24 -0.51 4.01 3.81 2ft1G1 GLY 293 HA3 -0.04 0.27 0.86 -0.51 4.01 4.58 2ft1G1 ARG 294 H -0.03 -0.05 -0.04 -0.55 8.46 7.79 2ft1G1 ARG 294 HA -0.13 0.09 0.46 -0.75 4.34 4.01 2ft1G1 ARG 294 HB2 -0.01 -0.15 0.09 -0.04 1.90 1.78 2ft1G1 ARG 294 HB3 -0.01 0.19 -0.04 -0.04 1.80 1.90 2ft1G1 ARG 294 HG2 -0.04 -0.03 -0.02 -0.04 1.67 1.53 2ft1G1 ARG 294 HG3 -0.02 0.01 0.01 -0.04 1.67 1.62 2ft1G1 ARG 294 HD2 -0.08 0.01 0.04 -0.04 3.22 3.15 2ft1G1 ARG 294 HD3 -0.04 0.01 0.00 -0.04 3.22 3.15 2ft1G1 TYR 295 H -0.07 0.07 0.19 -0.55 8.29 7.93 2ft1G1 TYR 295 HA -0.02 0.26 0.64 -0.75 4.56 4.69 2ft1G1 TYR 295 HB2 -0.00 -0.09 0.11 -0.04 3.06 3.04 2ft1G1 TYR 295 HB3 0.01 0.05 -0.06 -0.04 2.98 2.93 2ft1G1 TYR 295 HD2 -0.03 0.00 -0.07 -0.04 7.15 7.01 2ft1G1 TYR 295 HE2 -0.06 -0.02 -0.01 -0.04 6.85 6.72 2ft1G1 ILE 296 H 0.08 0.66 0.23 -0.55 8.25 8.66 2ft1G1 ILE 296 HA -0.03 -0.02 0.35 -0.75 4.18 3.73 2ft1G1 ILE 296 HB -0.15 -0.00 0.09 -0.04 1.89 1.78 2ft1G1 ILE 296 HG12 0.00 0.20 -0.48 -0.04 1.49 1.17 2ft1G1 ILE 296 HG13 -0.05 -0.09 -0.11 -0.04 1.21 0.92 2ft1G1 ILE 296 HG23 -0.23 -0.03 -0.08 -0.04 0.93 0.55 2ft1G1 ILE 296 HD13 -0.01 0.00 -0.22 -0.04 0.88 0.61 2ft1G1 PHE 297 H 0.12 0.10 -0.08 -0.55 8.34 7.93 2ft1G1 PHE 297 HA -0.09 0.03 0.48 -0.75 4.62 4.29 2ft1G1 PHE 297 HB2 -0.16 0.18 0.10 -0.04 3.15 3.23 2ft1G1 PHE 297 HB3 -0.03 0.02 0.11 -0.04 3.06 3.12 2ft1G1 PHE 297 HD2 -0.16 0.03 0.11 -0.04 7.28 7.22 2ft1G1 PHE 297 HE2 -0.20 -0.00 -0.06 -0.04 7.38 7.08 2ft1G1 PHE 297 HZ -0.11 -0.06 -0.04 -0.04 7.32 7.07 2ft1G1 GLY 298 H 0.28 0.05 0.11 -0.55 8.43 8.32 2ft1G1 GLY 298 HA2 0.11 0.02 0.43 -0.51 4.01 4.05 2ft1G1 GLY 298 HA3 0.15 0.04 0.26 -0.51 4.01 3.94 2ft1G1 GLY 299 H 0.11 0.06 0.16 -0.55 8.43 8.22 2ft1G1 GLY 299 HA2 0.27 0.12 0.33 -0.51 4.01 4.22 2ft1G1 GLY 299 HA3 0.11 -0.05 0.35 -0.51 4.01 3.90 2ft1G1 PRO 300 HA 0.06 0.11 0.36 -0.51 4.44 4.46 2ft1G1 PRO 300 HB2 0.05 -0.01 0.06 -0.04 2.28 2.34 2ft1G1 PRO 300 HB3 0.04 0.06 0.08 -0.04 2.02 2.16 2ft1G1 PRO 300 HG2 0.12 0.04 0.09 -0.04 2.03 2.25 2ft1G1 PRO 300 HG3 0.19 0.09 0.10 -0.04 2.03 2.37 2ft1G1 PRO 300 HD2 0.08 0.05 0.20 -0.04 3.68 3.96 2ft1G1 PRO 300 HD3 0.34 0.15 0.23 -0.04 3.65 4.33 2ft1G1 GLN 301 H 0.06 0.02 -0.26 -0.55 8.47 7.75 2ft1G1 GLN 301 HA 0.05 0.09 0.39 -0.75 4.36 4.13 2ft1G1 GLN 301 HB2 0.04 -0.07 0.08 -0.04 2.15 2.16 2ft1G1 GLN 301 HB3 0.04 0.02 -0.00 -0.04 2.02 2.03 2ft1G1 GLN 301 HG2 0.02 -0.00 0.03 -0.04 2.40 2.41 2ft1G1 GLN 301 HG3 0.02 -0.02 0.01 -0.04 2.39 2.36 2ft1G1 GLN 301 HE21 0.02 0.01 0.01 -0.04 6.97 6.97 2ft1G1 GLN 301 HE22 0.02 -0.01 0.03 -0.04 7.69 7.69 2ft1G1 ALA 302 H 0.08 0.02 -0.20 -0.55 8.40 7.75 2ft1G1 ALA 302 HA 0.05 0.21 0.66 -0.75 4.34 4.50 2ft1G1 ALA 302 HB3 0.04 -0.04 0.06 -0.04 1.41 1.43 2ft1G1 PHE 303 H 0.20 0.25 -0.55 -0.55 8.34 7.68 2ft1G1 PHE 303 HA 0.02 -0.05 0.39 -0.75 4.62 4.23 2ft1G1 PHE 303 HB2 -0.00 0.12 -0.06 -0.04 3.15 3.17 2ft1G1 PHE 303 HB3 -0.00 0.08 -0.00 -0.04 3.06 3.09 2ft1G1 PHE 303 HD2 -0.03 0.07 -0.12 -0.04 7.28 7.16 2ft1G1 PHE 303 HE2 -0.07 -0.01 -0.10 -0.04 7.38 7.15 2ft1G1 PHE 303 HZ 0.06 -0.08 -0.29 -0.04 7.32 6.97 2ft1G1 THR 304 H -1.31 0.03 0.10 -0.55 8.28 6.55 2ft1G1 THR 304 HA -0.22 0.25 0.95 -0.75 4.39 4.62 2ft1G1 THR 304 HB -0.20 -0.01 0.06 -0.04 4.32 4.13 2ft1G1 THR 304 HG23 -0.12 0.04 -0.08 -0.04 1.22 1.01 2ft1G1 SER 305 H -0.51 0.17 0.17 -0.55 8.46 7.74 2ft1G1 SER 305 HA 0.04 0.19 0.64 -0.75 4.49 4.60 2ft1G1 SER 305 HB2 -0.06 0.11 -0.20 -0.04 3.95 3.77 2ft1G1 SER 305 HB3 -0.07 0.00 -0.08 -0.04 3.93 3.74 2ft1G1 ASN 306 H 0.08 0.16 0.14 -0.55 8.53 8.37 2ft1G1 ASN 306 HA 0.35 0.07 0.53 -0.75 4.76 4.96 2ft1G1 ASN 306 HB2 -0.08 0.00 0.33 -0.04 2.88 3.09 2ft1G1 ASN 306 HB3 -0.32 0.02 0.15 -0.04 2.79 2.59 2ft1G1 ASN 306 HD21 0.06 0.02 0.11 -0.04 7.03 7.18 2ft1G1 ASN 306 HD22 -0.02 -0.00 0.18 -0.04 7.74 7.86 2ft1G1 ILE 307 H 0.20 0.42 0.45 -0.55 8.25 8.77 2ft1G1 ILE 307 HA 0.00 0.32 0.71 -0.75 4.18 4.46 2ft1G1 ILE 307 HB -0.02 0.03 -0.30 -0.04 1.89 1.56 2ft1G1 ILE 307 HG12 0.06 -0.28 -0.02 -0.04 1.49 1.21 2ft1G1 ILE 307 HG13 0.03 0.17 -0.15 -0.04 1.21 1.23 2ft1G1 ILE 307 HG23 -0.02 0.03 -0.08 -0.04 0.93 0.83 2ft1G1 ILE 307 HD13 0.02 0.01 -0.13 -0.04 0.88 0.74 2ft1G1 MET 308 H 0.10 0.34 0.18 -0.55 8.47 8.55 2ft1G1 MET 308 HA 0.09 0.04 0.57 -0.75 4.52 4.46 2ft1G1 MET 308 HB2 0.35 0.13 -0.29 -0.04 2.15 2.30 2ft1G1 MET 308 HB3 0.19 0.02 -0.08 -0.04 2.03 2.12 2ft1G1 MET 308 HG2 -0.45 0.01 -0.19 -0.04 2.63 1.96 2ft1G1 MET 308 HG3 0.08 0.01 0.06 -0.04 2.56 2.67 2ft1G1 MET 308 HE3 0.35 0.00 -0.13 -0.04 2.10 2.28 2ft1G1 TRP 309 H -0.16 0.19 0.12 -0.55 7.97 7.57 2ft1G1 TRP 309 HA 0.06 0.05 0.30 -0.75 4.62 4.27 2ft1G1 TRP 309 HB2 0.09 0.23 -0.01 -0.04 3.23 3.49 2ft1G1 TRP 309 HB3 0.06 0.05 0.17 -0.04 3.23 3.47 2ft1G1 TRP 309 HD1 0.08 0.04 -0.24 -0.04 7.22 7.07 2ft1G1 TRP 309 HE1 -0.00 0.05 -0.10 -0.04 10.20 10.10 2ft1G1 TRP 309 HE3 0.02 0.03 0.03 -0.04 7.59 7.63 2ft1G1 TRP 309 HZ2 -0.09 -0.07 -0.15 -0.04 7.44 7.10 2ft1G1 TRP 309 HZ3 -0.02 0.03 -0.01 -0.04 7.13 7.08 2ft1G1 TRP 309 HH2 -0.08 0.01 -0.05 -0.04 7.19 7.03 2ft1G1 GLY 310 H 0.15 -0.05 -0.32 -0.55 8.43 7.67 2ft1G1 GLY 310 HA2 0.10 -0.02 0.20 -0.51 4.01 3.78 2ft1G1 GLY 310 HA3 0.13 0.13 0.46 -0.51 4.01 4.23 2ft1G1 LEU 311 H 0.14 -0.05 -0.24 -0.55 8.37 7.66 2ft1G1 LEU 311 HA 0.09 0.27 0.91 -0.75 4.35 4.86 2ft1G1 LEU 311 HB2 0.19 0.17 -0.02 -0.04 1.64 1.94 2ft1G1 LEU 311 HB3 0.13 -0.08 -0.01 -0.04 1.64 1.63 2ft1G1 LEU 311 HG 0.18 0.12 -0.43 -0.04 1.64 1.47 2ft1G1 LEU 311 HD13 0.18 -0.04 -0.12 -0.04 0.93 0.90 2ft1G1 LEU 311 HD23 0.11 0.04 0.10 -0.04 0.89 1.10 2ft1G1 PRO 312 HA -0.04 0.15 0.56 -0.51 4.44 4.61 2ft1G1 PRO 312 HB2 -0.03 -0.04 0.02 -0.04 2.28 2.19 2ft1G1 PRO 312 HB3 -0.04 0.05 0.05 -0.04 2.02 2.04 2ft1G1 PRO 312 HG2 0.02 0.09 0.02 -0.04 2.03 2.12 2ft1G1 PRO 312 HG3 0.01 0.07 0.02 -0.04 2.03 2.09 2ft1G1 PRO 312 HD2 0.07 0.01 0.15 -0.04 3.68 3.86 2ft1G1 PRO 312 HD3 0.06 0.24 0.23 -0.04 3.65 4.14 2ft1G1 VAL 313 H -0.16 0.36 0.19 -0.55 8.24 8.08 2ft1G1 VAL 313 HA -0.21 0.21 1.02 -0.75 4.13 4.39 2ft1G1 VAL 313 HB -0.75 -0.05 -0.03 -0.04 2.12 1.25 2ft1G1 VAL 313 HG13 -1.07 -0.02 -0.20 -0.04 0.97 -0.35 2ft1G1 VAL 313 HG23 -0.27 0.04 -0.34 -0.04 0.95 0.35 2ft1G1 VAL 314 H -0.22 0.86 0.33 -0.55 8.24 8.66 2ft1G1 VAL 314 HA -0.20 0.22 1.07 -0.75 4.13 4.46 2ft1G1 VAL 314 HB -0.17 -0.02 0.16 -0.04 2.12 2.05 2ft1G1 VAL 314 HG13 -0.12 0.01 -0.09 -0.04 0.97 0.73 2ft1G1 VAL 314 HG23 -0.15 -0.01 -0.29 -0.04 0.95 0.46 2ft1G1 PRO 315 HA -0.10 0.32 0.75 -0.51 4.44 4.90 2ft1G1 PRO 315 HB2 -0.04 -0.01 0.14 -0.04 2.28 2.33 2ft1G1 PRO 315 HB3 -0.03 -0.03 0.02 -0.04 2.02 1.94 2ft1G1 PRO 315 HG2 -0.26 0.05 0.05 -0.04 2.03 1.83 2ft1G1 PRO 315 HG3 -0.86 0.02 -0.11 -0.04 2.03 1.04 2ft1G1 PRO 315 HD2 -0.16 0.05 0.28 -0.04 3.68 3.81 2ft1G1 PRO 315 HD3 -0.32 0.40 0.03 -0.04 3.65 3.72 2ft1G1 THR 316 H -0.03 0.56 0.35 -0.55 8.28 8.62 2ft1G1 THR 316 HA -0.02 0.20 0.96 -0.75 4.39 4.77 2ft1G1 THR 316 HB -0.04 -0.06 0.03 -0.04 4.32 4.21 2ft1G1 THR 316 HG23 -0.04 -0.11 0.06 -0.04 1.22 1.08 2ft1G1 LYS 317 H -0.01 0.22 0.16 -0.55 8.42 8.23 2ft1G1 LYS 317 HA 0.00 0.08 0.45 -0.75 4.32 4.10 2ft1G1 LYS 317 HB2 -0.02 -0.00 0.08 -0.04 1.87 1.88 2ft1G1 LYS 317 HB3 -0.01 0.06 0.06 -0.04 1.79 1.86 2ft1G1 LYS 317 HG2 0.00 -0.02 0.06 -0.04 1.46 1.46 2ft1G1 LYS 317 HG3 0.00 -0.02 0.07 -0.04 1.46 1.46 2ft1G1 LYS 317 HD2 -0.00 0.01 0.02 -0.04 1.69 1.68 2ft1G1 LYS 317 HD3 -0.00 0.03 0.02 -0.04 1.68 1.68 2ft1G1 LYS 317 HE2 0.00 0.03 0.00 -0.04 2.99 2.99 2ft1G1 LYS 317 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.94 2ft1G1 ALA 318 H -0.02 -0.07 -0.52 -0.55 8.40 7.24 2ft1G1 ALA 318 HA -0.02 0.09 0.34 -0.75 4.34 4.00 2ft1G1 ALA 318 HB3 -0.03 -0.00 -0.08 -0.04 1.41 1.26 2ft1G1 GLN 319 H -0.00 0.18 -0.30 -0.55 8.47 7.80 2ft1G1 GLN 319 HA 0.02 0.02 0.40 -0.75 4.36 4.05 2ft1G1 GLN 319 HB2 0.02 -0.07 -0.12 -0.04 2.15 1.94 2ft1G1 GLN 319 HB3 0.04 0.01 -0.21 -0.04 2.02 1.81 2ft1G1 GLN 319 HG2 0.11 0.01 -0.26 -0.04 2.40 2.22 2ft1G1 GLN 319 HG3 0.09 0.20 -0.32 -0.04 2.39 2.32 2ft1G1 GLN 319 HE21 0.04 0.04 -0.23 -0.04 6.97 6.78 2ft1G1 GLN 319 HE22 0.09 0.06 -0.14 -0.04 7.69 7.66 2ft1G1 ALA 320 H 0.03 0.12 0.14 -0.55 8.40 8.14 2ft1G1 ALA 320 HA 0.02 0.06 0.39 -0.75 4.34 4.06 2ft1G1 ALA 320 HB3 0.03 0.02 0.09 -0.04 1.41 1.51 2ft1G1 ALA 321 H 0.02 0.12 0.20 -0.55 8.40 8.19 2ft1G1 ALA 321 HA 0.02 -0.03 0.54 -0.75 4.34 4.12 2ft1G1 ALA 321 HB3 0.01 0.01 0.13 -0.04 1.41 1.52 2ft1G1 GLY 322 H -0.01 0.08 0.22 -0.55 8.43 8.18 2ft1G1 GLY 322 HA2 0.07 -0.03 0.42 -0.51 4.01 3.96 2ft1G1 GLY 322 HA3 0.11 0.17 0.63 -0.51 4.01 4.41 2ft1G1 THR 323 H 0.13 0.36 -0.49 -0.55 8.28 7.73 2ft1G1 THR 323 HA 0.23 0.31 0.94 -0.75 4.39 5.11 2ft1G1 THR 323 HB 0.09 -0.01 -0.03 -0.04 4.32 4.32 2ft1G1 THR 323 HG23 0.00 0.00 0.09 -0.04 1.22 1.28 2ft1G1 PHE 324 H -0.06 0.41 0.33 -0.55 8.34 8.46 2ft1G1 PHE 324 HA 0.14 0.17 0.62 -0.75 4.62 4.80 2ft1G1 PHE 324 HB2 0.23 0.04 0.10 -0.04 3.15 3.48 2ft1G1 PHE 324 HB3 0.52 0.03 -0.27 -0.04 3.06 3.29 2ft1G1 PHE 324 HD2 0.08 0.06 -0.39 -0.04 7.28 6.99 2ft1G1 PHE 324 HE2 -0.26 0.02 -0.32 -0.04 7.38 6.77 2ft1G1 PHE 324 HZ -0.61 0.04 -0.23 -0.04 7.32 6.48 2ft1G1 THR 325 H 0.29 0.50 0.37 -0.55 8.28 8.88 2ft1G1 THR 325 HA -0.02 0.35 1.11 -0.75 4.39 5.07 2ft1G1 THR 325 HB 0.14 -0.10 0.07 -0.04 4.32 4.38 2ft1G1 THR 325 HG23 0.26 0.02 -0.15 -0.04 1.22 1.31 2ft1G1 VAL 326 H 0.15 0.88 0.42 -0.55 8.24 9.14 2ft1G1 VAL 326 HA 0.40 0.20 0.89 -0.75 4.13 4.87 2ft1G1 VAL 326 HB 0.24 -0.02 -0.02 -0.04 2.12 2.28 2ft1G1 VAL 326 HG13 0.17 0.05 -0.09 -0.04 0.97 1.05 2ft1G1 VAL 326 HG23 0.34 -0.04 -0.17 -0.04 0.95 1.04 2ft1G1 GLY 327 H 0.12 0.48 0.27 -0.55 8.43 8.74 2ft1G1 GLY 327 HA2 -0.19 0.15 0.43 -0.51 4.01 3.90 2ft1G1 GLY 327 HA3 -0.67 0.10 0.60 -0.51 4.01 3.53 2ft1G1 GLY 328 H -0.30 0.58 0.17 -0.55 8.43 8.34 2ft1G1 GLY 328 HA2 0.02 0.04 0.95 -0.51 4.01 4.51 2ft1G1 GLY 328 HA3 0.01 0.14 0.31 -0.51 4.01 3.97 2ft1G1 PHE 329 H -0.55 0.22 -0.42 -0.55 8.34 7.04 2ft1G1 PHE 329 HA -0.05 -0.09 0.36 -0.75 4.62 4.08 2ft1G1 PHE 329 HB2 -0.02 0.21 0.10 -0.04 3.15 3.40 2ft1G1 PHE 329 HB3 -0.04 -0.02 -0.03 -0.04 3.06 2.93 2ft1G1 PHE 329 HD2 -0.00 0.22 -0.02 -0.04 7.28 7.43 2ft1G1 PHE 329 HE2 0.02 0.12 -0.14 -0.04 7.38 7.34 2ft1G1 PHE 329 HZ 0.04 -0.03 -0.41 -0.04 7.32 6.88 2ft1G1 ASP 330 H 0.17 0.11 -0.17 -0.55 8.40 7.96 2ft1G1 ASP 330 HA 0.05 0.16 0.35 -0.75 4.63 4.44 2ft1G1 ASP 330 HB2 0.05 -0.03 0.11 -0.04 2.71 2.79 2ft1G1 ASP 330 HB3 0.08 0.01 0.14 -0.04 2.70 2.89 2ft1G1 MET 331 H 0.04 0.17 -0.45 -0.55 8.47 7.68 2ft1G1 MET 331 HA 0.07 0.10 0.67 -0.75 4.52 4.61 2ft1G1 MET 331 HB2 0.33 0.02 -0.03 -0.04 2.15 2.42 2ft1G1 MET 331 HB3 0.36 -0.03 0.04 -0.04 2.03 2.36 2ft1G1 MET 331 HG2 0.11 0.01 0.03 -0.04 2.63 2.75 2ft1G1 MET 331 HG3 0.11 -0.01 -0.59 -0.04 2.56 2.03 2ft1G1 MET 331 HE3 0.13 -0.02 -0.03 -0.04 2.10 2.14 2ft1G1 ALA 332 H -0.09 0.21 0.07 -0.55 8.40 8.05 2ft1G1 ALA 332 HA -0.36 0.07 0.43 -0.75 4.34 3.73 2ft1G1 ALA 332 HB3 -0.24 -0.00 -0.05 -0.04 1.41 1.07 2ft1G1 SER 333 H -0.12 0.31 0.11 -0.55 8.46 8.21 2ft1G1 SER 333 HA -0.51 -0.01 0.83 -0.75 4.49 4.05 2ft1G1 SER 333 HB2 -0.12 -0.07 0.03 -0.04 3.95 3.75 2ft1G1 SER 333 HB3 -0.45 0.34 0.12 -0.04 3.93 3.91 2ft1G1 GLN 334 H -0.63 0.15 0.07 -0.55 8.47 7.51 2ft1G1 GLN 334 HA -0.29 0.11 1.01 -0.75 4.36 4.44 2ft1G1 GLN 334 HB2 -0.39 0.35 0.13 -0.04 2.15 2.20 2ft1G1 GLN 334 HB3 -0.33 -0.03 -0.17 -0.04 2.02 1.45 2ft1G1 GLN 334 HG2 -0.36 -0.10 -0.08 -0.04 2.40 1.82 2ft1G1 GLN 334 HG3 -0.91 -0.04 -0.44 -0.04 2.39 0.95 2ft1G1 GLN 334 HE21 -0.94 -0.05 -0.26 -0.04 6.97 5.67 2ft1G1 GLN 334 HE22 -1.06 0.23 -0.37 -0.04 7.69 6.45 2ft1G1 VAL 335 H -0.28 0.30 0.05 -0.55 8.24 7.76 2ft1G1 VAL 335 HA -0.15 0.08 0.81 -0.75 4.13 4.11 2ft1G1 VAL 335 HB -0.16 0.04 0.04 -0.04 2.12 2.00 2ft1G1 VAL 335 HG13 -0.06 -0.02 -0.24 -0.04 0.97 0.61 2ft1G1 VAL 335 HG23 -0.11 -0.02 -0.12 -0.04 0.95 0.67 2ft1G1 TRP 336 H 0.11 0.72 0.38 -0.55 7.97 8.64 2ft1G1 TRP 336 HA -0.03 0.20 0.88 -0.75 4.62 4.92 2ft1G1 TRP 336 HB2 -0.03 0.05 0.07 -0.04 3.23 3.28 2ft1G1 TRP 336 HB3 -0.01 -0.04 -0.17 -0.04 3.23 2.97 2ft1G1 TRP 336 HD1 -0.09 -0.02 -0.14 -0.04 7.22 6.93 2ft1G1 TRP 336 HE1 0.03 -0.02 -0.14 -0.04 10.20 10.03 2ft1G1 TRP 336 HE3 -0.00 0.00 -0.59 -0.04 7.59 6.96 2ft1G1 TRP 336 HZ2 0.06 0.00 -0.09 -0.04 7.44 7.37 2ft1G1 TRP 336 HZ3 0.01 0.16 -0.07 -0.04 7.13 7.18 2ft1G1 TRP 336 HH2 0.02 -0.00 -0.04 -0.04 7.19 7.13 2ft1G1 ASP 337 H 0.17 1.03 0.41 -0.55 8.40 9.46 2ft1G1 ASP 337 HA 0.08 0.04 0.90 -0.75 4.63 4.91 2ft1G1 ASP 337 HB2 0.06 0.08 0.13 -0.04 2.71 2.94 2ft1G1 ASP 337 HB3 0.05 -0.05 -0.16 -0.04 2.70 2.50 2ft1G1 ARG 338 H 0.07 0.39 0.34 -0.55 8.46 8.70 2ft1G1 ARG 338 HA 0.06 0.15 0.65 -0.75 4.34 4.44 2ft1G1 ARG 338 HB2 0.04 0.00 -0.13 -0.04 1.90 1.78 2ft1G1 ARG 338 HB3 0.04 0.07 0.02 -0.04 1.80 1.89 2ft1G1 ARG 338 HG2 0.02 -0.00 -0.17 -0.04 1.67 1.47 2ft1G1 ARG 338 HG3 0.02 -0.05 -0.27 -0.04 1.67 1.34 2ft1G1 ARG 338 HD2 0.03 0.15 -0.05 -0.04 3.22 3.30 2ft1G1 ARG 338 HD3 0.01 0.03 -0.42 -0.04 3.22 2.79 2ft1G1 MET 339 H 0.04 0.55 0.26 -0.55 8.47 8.77 2ft1G1 MET 339 HA 0.03 0.16 0.88 -0.75 4.52 4.84 2ft1G1 MET 339 HB2 0.02 0.03 -0.10 -0.04 2.15 2.07 2ft1G1 MET 339 HB3 0.02 -0.21 0.17 -0.04 2.03 1.97 2ft1G1 MET 339 HG2 0.02 0.21 -0.12 -0.04 2.63 2.70 2ft1G1 MET 339 HG3 0.02 0.01 0.01 -0.04 2.56 2.56 2ft1G1 MET 339 HE3 0.02 0.04 -0.21 -0.04 2.10 1.91 2ft1G1 ASP 340 H 0.02 0.15 0.04 -0.55 8.40 8.07 2ft1G1 ASP 340 HA 0.02 -0.00 0.37 -0.75 4.63 4.26 2ft1G1 ASP 340 HB2 0.02 0.01 -0.01 -0.04 2.71 2.68 2ft1G1 ASP 340 HB3 0.01 0.04 0.03 -0.04 2.70 2.74 2ft1G1 ALA 341 H 0.01 0.04 0.16 -0.55 8.40 8.06 2ft1G1 ALA 341 HA 0.02 0.23 0.60 -0.75 4.34 4.44 2ft1G1 ALA 341 HB3 0.01 -0.02 0.09 -0.04 1.41 1.45 2ft1G1 THR 342 H 0.03 0.49 0.39 -0.55 8.28 8.64 2ft1G1 THR 342 HA 0.02 0.17 0.86 -0.75 4.39 4.69 2ft1G1 THR 342 HB 0.02 -0.07 -0.04 -0.04 4.32 4.20 2ft1G1 THR 342 HG23 0.02 -0.05 0.08 -0.04 1.22 1.22 2ft1G1 VAL 343 H 0.02 0.23 0.16 -0.55 8.24 8.11 2ft1G1 VAL 343 HA 0.04 0.32 1.07 -0.75 4.13 4.80 2ft1G1 VAL 343 HB 0.02 -0.06 0.12 -0.04 2.12 2.16 2ft1G1 VAL 343 HG13 0.02 0.04 -0.08 -0.04 0.97 0.91 2ft1G1 VAL 343 HG23 0.03 -0.01 -0.16 -0.04 0.95 0.77 2ft1G1 GLU 344 H 0.04 0.34 0.24 -0.55 8.60 8.68 2ft1G1 GLU 344 HA 0.02 0.19 0.92 -0.75 4.29 4.66 2ft1G1 GLU 344 HB2 0.02 -0.06 0.02 -0.04 2.09 2.03 2ft1G1 GLU 344 HB3 0.01 0.02 0.04 -0.04 1.99 2.02 2ft1G1 GLU 344 HG2 0.01 0.08 -0.07 -0.04 2.34 2.32 2ft1G1 GLU 344 HG3 0.02 -0.07 -0.34 -0.04 2.34 1.91 2ft1G1 VAL 345 H 0.01 0.24 0.20 -0.55 8.24 8.14 2ft1G1 VAL 345 HA 0.02 0.31 1.15 -0.75 4.13 4.85 2ft1G1 VAL 345 HB 0.01 -0.02 -0.01 -0.04 2.12 2.06 2ft1G1 VAL 345 HG13 0.03 0.01 -0.16 -0.04 0.97 0.80 2ft1G1 VAL 345 HG23 0.02 0.02 -0.22 -0.04 0.95 0.73 2ft1G1 SER 346 H 0.01 0.62 0.30 -0.55 8.46 8.84 2ft1G1 SER 346 HA -0.02 0.17 0.97 -0.75 4.49 4.86 2ft1G1 SER 346 HB2 -0.03 0.10 -0.11 -0.04 3.95 3.87 2ft1G1 SER 346 HB3 -0.04 0.05 0.05 -0.04 3.93 3.95 2ft1G1 ARG 347 H -0.03 0.12 0.21 -0.55 8.46 8.20 2ft1G1 ARG 347 HA 0.03 0.30 0.93 -0.75 4.34 4.84 2ft1G1 ARG 347 HB2 -0.05 -0.04 0.13 -0.04 1.90 1.90 2ft1G1 ARG 347 HB3 0.03 0.05 -0.01 -0.04 1.80 1.84 2ft1G1 ARG 347 HG2 0.04 0.11 0.01 -0.04 1.67 1.79 2ft1G1 ARG 347 HG3 0.01 -0.04 -0.08 -0.04 1.67 1.51 2ft1G1 ARG 347 HD2 0.03 0.03 -0.03 -0.04 3.22 3.20 2ft1G1 ARG 347 HD3 -0.01 -0.01 -0.00 -0.04 3.22 3.17 2ft1G1 GLU 348 H -0.07 0.04 0.13 -0.55 8.60 8.15 2ft1G1 GLU 348 HA -0.03 0.13 0.55 -0.75 4.29 4.18 2ft1G1 GLU 348 HB2 -0.10 -0.00 0.07 -0.04 2.09 2.02 2ft1G1 GLU 348 HB3 -0.11 0.06 0.15 -0.04 1.99 2.05 2ft1G1 GLU 348 HG2 -0.48 0.06 0.02 -0.04 2.34 1.89 2ft1G1 GLU 348 HG3 -0.23 -0.11 0.04 -0.04 2.34 2.00 2ft1G1 ASP 349 H -0.03 -0.00 -0.65 -0.55 8.40 7.17 2ft1G1 ASP 349 HA -0.06 0.04 0.34 -0.75 4.63 4.20 2ft1G1 ASP 349 HB2 -0.08 0.01 -0.03 -0.04 2.71 2.58 2ft1G1 ASP 349 HB3 -0.06 0.02 -0.06 -0.04 2.70 2.56 2ft1G1 ARG 350 H -0.05 0.13 0.20 -0.55 8.46 8.19 2ft1G1 ARG 350 HA -0.03 0.08 0.36 -0.75 4.34 4.00 2ft1G1 ARG 350 HB2 -0.07 0.12 -0.04 -0.04 1.90 1.87 2ft1G1 ARG 350 HB3 -0.04 -0.04 0.21 -0.04 1.80 1.88 2ft1G1 ARG 350 HG2 -0.07 0.06 0.03 -0.04 1.67 1.64 2ft1G1 ARG 350 HG3 -0.12 -0.07 -0.13 -0.04 1.67 1.31 2ft1G1 ARG 350 HD2 -0.08 0.02 -0.02 -0.04 3.22 3.09 2ft1G1 ARG 350 HD3 -0.16 0.04 -0.05 -0.04 3.22 3.00 2ft1G1 ASP 351 H -0.01 0.15 0.14 -0.55 8.40 8.13 2ft1G1 ASP 351 HA 0.04 0.15 0.66 -0.75 4.63 4.73 2ft1G1 ASP 351 HB2 0.01 0.00 0.13 -0.04 2.71 2.81 2ft1G1 ASP 351 HB3 0.01 0.04 0.04 -0.04 2.70 2.75 2ft1G1 ASN 352 H 0.02 0.71 -0.41 -0.55 8.53 8.30 2ft1G1 ASN 352 HA 0.04 -0.02 0.35 -0.75 4.76 4.38 2ft1G1 ASN 352 HB2 0.02 0.27 -0.03 -0.04 2.88 3.09 2ft1G1 ASN 352 HB3 0.05 0.24 -0.03 -0.04 2.79 3.01 2ft1G1 ASN 352 HD21 0.02 -0.05 -0.09 -0.04 7.03 6.87 2ft1G1 ASN 352 HD22 0.00 -0.04 -0.08 -0.04 7.74 7.58 2ft1G1 PHE 353 H 0.19 0.16 -0.30 -0.55 8.34 7.84 2ft1G1 PHE 353 HA -0.00 0.09 0.49 -0.75 4.62 4.45 2ft1G1 PHE 353 HB2 -0.01 0.01 0.04 -0.04 3.15 3.15 2ft1G1 PHE 353 HB3 -0.01 0.00 0.06 -0.04 3.06 3.07 2ft1G1 PHE 353 HD2 -0.01 0.01 0.01 -0.04 7.28 7.26 2ft1G1 PHE 353 HE2 -0.00 0.01 -0.01 -0.04 7.38 7.33 2ft1G1 PHE 353 HZ -0.00 0.01 -0.01 -0.04 7.32 7.27 2ft1G1 VAL 354 H 0.04 0.12 -0.16 -0.55 8.24 7.69 2ft1G1 VAL 354 HA -0.26 0.13 0.55 -0.75 4.13 3.80 2ft1G1 VAL 354 HB -0.03 0.04 0.04 -0.04 2.12 2.13 2ft1G1 VAL 354 HG13 -0.07 0.00 0.10 -0.04 0.97 0.96 2ft1G1 VAL 354 HG23 -0.03 -0.01 0.02 -0.04 0.95 0.89 2ft1G1 LYS 355 H -0.01 0.16 -0.58 -0.55 8.42 7.44 2ft1G1 LYS 355 HA -0.02 0.20 0.87 -0.75 4.32 4.62 2ft1G1 LYS 355 HB2 0.02 0.04 -0.01 -0.04 1.87 1.87 2ft1G1 LYS 355 HB3 0.01 -0.04 0.06 -0.04 1.79 1.77 2ft1G1 LYS 355 HG2 -0.00 0.05 -0.03 -0.04 1.46 1.44 2ft1G1 LYS 355 HG3 -0.00 -0.01 -0.22 -0.04 1.46 1.19 2ft1G1 LYS 355 HD2 0.02 -0.05 -0.09 -0.04 1.69 1.53 2ft1G1 LYS 355 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.61 2ft1G1 LYS 355 HE2 0.01 0.02 -0.03 -0.04 2.99 2.95 2ft1G1 LYS 355 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 2ft1G1 ASN 356 H -0.02 0.20 -0.19 -0.55 8.53 7.97 2ft1G1 ASN 356 HA 0.03 0.07 0.43 -0.75 4.76 4.54 2ft1G1 ASN 356 HB2 -0.00 0.20 0.05 -0.04 2.88 3.09 2ft1G1 ASN 356 HB3 0.01 -0.17 0.25 -0.04 2.79 2.84 2ft1G1 ASN 356 HD21 -0.06 0.01 -0.10 -0.04 7.03 6.84 2ft1G1 ASN 356 HD22 -0.03 0.04 -0.32 -0.04 7.74 7.38 2ft1G1 MET 357 H 0.06 0.83 0.28 -0.55 8.47 9.09 2ft1G1 MET 357 HA 0.04 0.12 1.09 -0.75 4.52 5.02 2ft1G1 MET 357 HB2 0.05 -0.08 0.08 -0.04 2.15 2.15 2ft1G1 MET 357 HB3 0.06 -0.08 0.08 -0.04 2.03 2.04 2ft1G1 MET 357 HG2 0.03 0.03 -0.53 -0.04 2.63 2.12 2ft1G1 MET 357 HG3 0.04 -0.05 -0.12 -0.04 2.56 2.39 2ft1G1 MET 357 HE3 0.06 -0.02 -0.13 -0.04 2.10 1.96 2ft1G1 LEU 358 H 0.06 0.50 0.23 -0.55 8.37 8.62 2ft1G1 LEU 358 HA 0.04 0.22 0.87 -0.75 4.35 4.72 2ft1G1 LEU 358 HB2 0.04 -0.02 -0.27 -0.04 1.64 1.35 2ft1G1 LEU 358 HB3 0.04 -0.05 0.00 -0.04 1.64 1.59 2ft1G1 LEU 358 HG 0.04 0.00 -0.24 -0.04 1.64 1.40 2ft1G1 LEU 358 HD13 0.03 0.03 -0.14 -0.04 0.93 0.81 2ft1G1 LEU 358 HD23 0.03 -0.00 -0.12 -0.04 0.89 0.76 2ft1G1 THR 359 H 0.03 0.44 0.23 -0.55 8.28 8.44 2ft1G1 THR 359 HA 0.13 0.22 0.88 -0.75 4.39 4.86 2ft1G1 THR 359 HB -0.03 -0.01 0.17 -0.04 4.32 4.40 2ft1G1 THR 359 HG23 -0.04 -0.01 -0.23 -0.04 1.22 0.89 2ft1G1 ILE 360 H 0.14 0.63 0.40 -0.55 8.25 8.87 2ft1G1 ILE 360 HA 0.06 0.18 1.04 -0.75 4.18 4.70 2ft1G1 ILE 360 HB 0.05 -0.04 0.18 -0.04 1.89 2.05 2ft1G1 ILE 360 HG12 0.04 -0.01 -0.14 -0.04 1.49 1.34 2ft1G1 ILE 360 HG13 0.06 0.10 -0.08 -0.04 1.21 1.24 2ft1G1 ILE 360 HG23 0.03 0.01 -0.15 -0.04 0.93 0.78 2ft1G1 ILE 360 HD13 0.03 -0.01 -0.07 -0.04 0.88 0.80 2ft1G1 LEU 361 H 0.06 0.80 0.43 -0.55 8.37 9.11 2ft1G1 LEU 361 HA 0.17 0.18 1.00 -0.75 4.35 4.95 2ft1G1 LEU 361 HB2 0.07 -0.04 -0.05 -0.04 1.64 1.57 2ft1G1 LEU 361 HB3 0.05 -0.02 0.12 -0.04 1.64 1.75 2ft1G1 LEU 361 HG 0.10 -0.01 -0.16 -0.04 1.64 1.52 2ft1G1 LEU 361 HD13 0.15 0.02 -0.12 -0.04 0.93 0.94 2ft1G1 LEU 361 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.78 2ft1G1 CYS 362 H 0.17 0.34 0.20 -0.55 8.50 8.65 2ft1G1 CYS 362 HA 0.08 0.34 1.01 -0.75 4.58 5.25 2ft1G1 CYS 362 HB2 0.06 -0.01 -0.13 -0.04 2.97 2.84 2ft1G1 CYS 362 HB3 0.24 -0.01 0.18 -0.04 2.97 3.35 2ft1G1 GLU 363 H 0.07 0.20 0.15 -0.55 8.60 8.48 2ft1G1 GLU 363 HA 0.06 0.32 1.23 -0.75 4.29 5.15 2ft1G1 GLU 363 HB2 0.04 0.00 0.05 -0.04 2.09 2.14 2ft1G1 GLU 363 HB3 0.07 -0.08 -0.04 -0.04 1.99 1.90 2ft1G1 GLU 363 HG2 0.05 -0.07 -0.04 -0.04 2.34 2.23 2ft1G1 GLU 363 HG3 0.04 0.05 -0.19 -0.04 2.34 2.20 2ft1G1 GLU 364 H 0.02 0.41 0.26 -0.55 8.60 8.74 2ft1G1 GLU 364 HA 0.02 0.16 0.45 -0.75 4.29 4.17 2ft1G1 GLU 364 HB2 0.01 0.04 -0.02 -0.04 2.09 2.08 2ft1G1 GLU 364 HB3 -0.00 -0.02 -0.01 -0.04 1.99 1.92 2ft1G1 GLU 364 HG2 0.01 0.00 -0.36 -0.04 2.34 1.94 2ft1G1 GLU 364 HG3 0.01 0.06 0.01 -0.04 2.34 2.38 2ft1G1 ARG 365 H 0.02 0.38 0.24 -0.55 8.46 8.54 2ft1G1 ARG 365 HA 0.02 0.26 1.24 -0.75 4.34 5.11 2ft1G1 ARG 365 HB2 0.02 0.14 -0.05 -0.04 1.90 1.97 2ft1G1 ARG 365 HB3 0.02 -0.07 -0.05 -0.04 1.80 1.66 2ft1G1 ARG 365 HG2 0.02 -0.04 0.14 -0.04 1.67 1.75 2ft1G1 ARG 365 HG3 0.03 -0.06 0.01 -0.04 1.67 1.61 2ft1G1 ARG 365 HD2 0.02 -0.04 -0.08 -0.04 3.22 3.08 2ft1G1 ARG 365 HD3 0.02 0.03 -0.09 -0.04 3.22 3.13 2ft1G1 LEU 366 H 0.02 0.56 0.35 -0.55 8.37 8.75 2ft1G1 LEU 366 HA 0.06 0.01 0.90 -0.75 4.35 4.57 2ft1G1 LEU 366 HB2 0.04 0.06 0.10 -0.04 1.64 1.79 2ft1G1 LEU 366 HB3 0.03 -0.03 -0.10 -0.04 1.64 1.49 2ft1G1 LEU 366 HG 0.01 -0.01 -0.08 -0.04 1.64 1.52 2ft1G1 LEU 366 HD13 0.01 -0.00 -0.32 -0.04 0.93 0.58 2ft1G1 LEU 366 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.68 2ft1G1 ALA 367 H 0.10 0.64 0.34 -0.55 8.40 8.94 2ft1G1 ALA 367 HA 0.06 0.09 0.76 -0.75 4.34 4.50 2ft1G1 ALA 367 HB3 0.10 0.01 -0.23 -0.04 1.41 1.25 2ft1G1 LEU 368 H 0.05 0.22 0.14 -0.55 8.37 8.24 2ft1G1 LEU 368 HA -0.04 0.16 1.10 -0.75 4.35 4.82 2ft1G1 LEU 368 HB2 -0.04 -0.08 -0.10 -0.04 1.64 1.39 2ft1G1 LEU 368 HB3 0.00 -0.05 0.04 -0.04 1.64 1.59 2ft1G1 LEU 368 HG -0.47 0.14 -0.35 -0.04 1.64 0.92 2ft1G1 LEU 368 HD13 -0.22 -0.01 -0.15 -0.04 0.93 0.51 2ft1G1 LEU 368 HD23 0.01 -0.00 -0.11 -0.04 0.89 0.75 2ft1G1 ALA 369 H -0.18 0.47 0.24 -0.55 8.40 8.38 2ft1G1 ALA 369 HA -0.00 0.16 0.76 -0.75 4.34 4.50 2ft1G1 ALA 369 HB3 -0.39 0.00 -0.01 -0.04 1.41 0.97 2ft1G1 HIS 370 H 0.00 0.20 -0.01 -0.55 8.41 8.06 2ft1G1 HIS 370 HA -0.17 0.10 0.79 -0.75 4.63 4.60 2ft1G1 HIS 370 HB2 0.13 -0.00 0.03 -0.04 3.26 3.38 2ft1G1 HIS 370 HB3 0.03 -0.01 -0.12 -0.04 3.20 3.06 2ft1G1 HIS 370 HD2 0.07 -0.03 -0.21 -0.04 6.97 6.76 2ft1G1 HIS 370 HE1 0.00 -0.12 -0.14 -0.04 7.75 7.45 2ft1G1 TYR 371 H -0.19 0.41 0.21 -0.55 8.29 8.17 2ft1G1 TYR 371 HA 0.10 0.06 0.67 -0.75 4.56 4.64 2ft1G1 TYR 371 HB2 -0.06 0.38 0.21 -0.04 3.06 3.55 2ft1G1 TYR 371 HB3 0.02 -0.04 0.18 -0.04 2.98 3.10 2ft1G1 TYR 371 HD2 -0.13 0.09 -0.17 -0.04 7.15 6.90 2ft1G1 TYR 371 HE2 -0.34 -0.02 -0.10 -0.04 6.85 6.35 2ft1G1 ARG 372 H 0.04 0.09 -0.20 -0.55 8.46 7.85 2ft1G1 ARG 372 HA 0.03 0.21 0.61 -0.75 4.34 4.44 2ft1G1 ARG 372 HB2 -0.11 0.18 -0.15 -0.04 1.90 1.78 2ft1G1 ARG 372 HB3 -0.31 -0.07 0.10 -0.04 1.80 1.48 2ft1G1 ARG 372 HG2 -0.25 0.09 0.00 -0.04 1.67 1.48 2ft1G1 ARG 372 HG3 -0.11 -0.45 -0.09 -0.04 1.67 0.98 2ft1G1 ARG 372 HD2 0.01 -0.09 0.11 -0.04 3.22 3.21 2ft1G1 ARG 372 HD3 0.03 0.18 0.22 -0.04 3.22 3.60 2ft1G1 PRO 373 HA -0.05 0.06 0.37 -0.51 4.44 4.31 2ft1G1 PRO 373 HB2 -0.02 0.02 -0.04 -0.04 2.28 2.20 2ft1G1 PRO 373 HB3 -0.05 0.27 -0.01 -0.04 2.02 2.18 2ft1G1 PRO 373 HG2 0.02 0.06 -0.00 -0.04 2.03 2.07 2ft1G1 PRO 373 HG3 0.02 0.02 -0.08 -0.04 2.03 1.94 2ft1G1 PRO 373 HD2 0.02 0.13 0.17 -0.04 3.68 3.96 2ft1G1 PRO 373 HD3 0.07 0.20 -0.07 -0.04 3.65 3.81 2ft1G1 THR 374 H -0.03 0.15 -0.08 -0.55 8.28 7.78 2ft1G1 THR 374 HA -0.03 0.11 0.46 -0.75 4.39 4.17 2ft1G1 THR 374 HB -0.01 0.03 0.04 -0.04 4.32 4.33 2ft1G1 THR 374 HG23 -0.01 0.01 -0.00 -0.04 1.22 1.18 2ft1G1 ALA 375 H -0.12 0.09 -0.47 -0.55 8.40 7.36 2ft1G1 ALA 375 HA -0.08 0.15 0.42 -0.75 4.34 4.07 2ft1G1 ALA 375 HB3 -0.33 0.02 0.04 -0.04 1.41 1.10 2ft1G1 ILE 376 H -0.10 0.45 -0.73 -0.55 8.25 7.33 2ft1G1 ILE 376 HA -0.23 0.10 1.00 -0.75 4.18 4.31 2ft1G1 ILE 376 HB -0.08 0.08 0.03 -0.04 1.89 1.87 2ft1G1 ILE 376 HG12 -0.39 -0.07 -0.20 -0.04 1.49 0.78 2ft1G1 ILE 376 HG13 -0.17 0.01 -0.44 -0.04 1.21 0.57 2ft1G1 ILE 376 HG23 -0.06 -0.03 -0.14 -0.04 0.93 0.66 2ft1G1 ILE 376 HD13 0.01 -0.02 -0.12 -0.04 0.88 0.72 2ft1G1 ILE 377 H -0.04 0.62 0.37 -0.55 8.25 8.65 2ft1G1 ILE 377 HA -0.02 0.46 0.99 -0.75 4.18 4.85 2ft1G1 ILE 377 HB 0.09 -0.10 0.01 -0.04 1.89 1.84 2ft1G1 ILE 377 HG12 0.01 0.13 -0.18 -0.04 1.49 1.41 2ft1G1 ILE 377 HG13 -0.02 -0.12 -0.75 -0.04 1.21 0.28 2ft1G1 ILE 377 HG23 0.12 0.02 -0.18 -0.04 0.93 0.84 2ft1G1 ILE 377 HD13 0.06 0.00 -0.29 -0.04 0.88 0.61 2ft1G1 LYS 378 H -0.07 0.53 0.22 -0.55 8.42 8.54 2ft1G1 LYS 378 HA -0.44 0.19 1.02 -0.75 4.32 4.34 2ft1G1 LYS 378 HB2 -0.18 0.06 0.20 -0.04 1.87 1.91 2ft1G1 LYS 378 HB3 -0.09 -0.07 -0.10 -0.04 1.79 1.49 2ft1G1 LYS 378 HG2 -0.06 0.13 -0.10 -0.04 1.46 1.38 2ft1G1 LYS 378 HG3 -0.11 -0.09 -0.20 -0.04 1.46 1.03 2ft1G1 LYS 378 HD2 -0.08 -0.06 -0.04 -0.04 1.69 1.47 2ft1G1 LYS 378 HD3 -0.04 -0.03 0.01 -0.04 1.68 1.57 2ft1G1 LYS 378 HE2 -0.03 0.21 -0.04 -0.04 2.99 3.09 2ft1G1 LYS 378 HE3 -0.04 -0.09 -0.08 -0.04 2.99 2.73 2ft1G1 GLY 379 H -1.26 0.36 0.27 -0.55 8.43 7.25 2ft1G1 GLY 379 HA2 -0.12 0.14 0.72 -0.51 4.01 4.24 2ft1G1 GLY 379 HA3 -0.26 -0.01 0.32 -0.51 4.01 3.55 2ft1G1 THR 380 H 0.10 0.22 0.17 -0.55 8.28 8.22 2ft1G1 THR 380 HA 0.27 0.36 1.06 -0.75 4.39 5.33 2ft1G1 THR 380 HB 0.11 -0.05 -0.01 -0.04 4.32 4.32 2ft1G1 THR 380 HG23 0.15 0.05 -0.11 -0.04 1.22 1.27 2ft1G1 PHE 381 H 0.57 0.59 0.25 -0.55 8.34 9.19 2ft1G1 PHE 381 HA 0.07 0.03 0.64 -0.75 4.62 4.60 2ft1G1 PHE 381 HB2 0.07 -0.03 0.20 -0.04 3.15 3.35 2ft1G1 PHE 381 HB3 0.03 0.04 0.01 -0.04 3.06 3.11 2ft1G1 PHE 381 HD2 0.10 0.17 -0.05 -0.04 7.28 7.45 2ft1G1 PHE 381 HE2 0.05 -0.01 -0.23 -0.04 7.38 7.15 2ft1G1 PHE 381 HZ -0.23 -0.02 -0.15 -0.04 7.32 6.88 2ft1G1 SER 382 H 0.10 0.12 0.19 -0.55 8.46 8.33 2ft1G1 SER 382 HA 0.10 0.09 0.54 -0.75 4.49 4.47 2ft1G1 SER 382 HB2 0.08 -0.03 0.08 -0.04 3.95 4.05 2ft1G1 SER 382 HB3 0.07 0.03 0.04 -0.04 3.93 4.03 2ft1G1 SER 383 H 0.07 0.28 0.06 -0.55 8.46 8.32 2ft1G1 SER 383 HA 0.06 0.15 0.36 -0.75 4.49 4.31 2ft1G1 SER 383 HB2 0.05 -0.00 0.03 -0.04 3.95 3.98 2ft1G1 SER 383 HB3 0.07 0.11 -0.19 -0.04 3.93 3.89