NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 148 K 4.2508 8.3144 121.8117 57.4302 33.8116 175.1636 149 E 4.0047 7.7256 109.6107 52.2233 30.9632 174.2262 150 P 4.2010 0.0000 0.0000 65.8242 32.8478 178.8299 151 C 3.6039 7.4523 117.7494 58.9078 41.7541 174.9386 152 R 3.3614 7.2712 120.0085 59.4929 29.5730 178.1824 153 I 3.5788 7.1818 118.6310 64.5595 37.1849 177.9456 154 E 3.9549 7.8595 119.3667 59.2430 29.3171 178.6207 155 L 3.8609 7.9615 120.7525 58.2548 42.0889 178.6604 156 Y 4.3910 7.6262 116.7153 61.2971 37.8183 178.5383 157 R 4.0110 8.0459 118.8546 59.0513 30.1952 179.4466 158 V 3.5670 7.9599 118.1534 65.9040 31.4075 178.1037 159 V 3.5703 7.7518 116.8218 66.2642 31.3907 177.4807 160 E 4.0978 8.0013 116.9108 59.5698 29.3616 179.1000 161 S 4.2318 7.6680 113.8357 62.6085 63.3074 174.8694 162 L 4.5847 7.4127 120.6576 52.0251 45.1102 174.8080 *176 F 4.4568 8.0746 121.8805 59.0975 40.1390 174.8428 177 Y 4.9556 8.6196 128.5003 56.1337 41.2514 172.9361 178 L 4.2565 8.2901 129.2874 51.9087 43.9905 173.9547 179 P 4.3835 0.0000 0.0000 62.4034 32.4805 175.7926 180 N 4.7333 8.6979 119.7763 51.8152 38.4552 174.4472 181 C 4.8994 8.4877 121.7505 55.8845 38.6504 173.6716 182 N 4.6144 8.5219 122.3841 51.7509 38.8127 176.8025 183 K 3.8433 8.7990 119.4295 58.0561 31.4800 175.3301 184 N 4.3261 7.6258 114.7658 54.8051 38.8879 176.3503 185 G 3.7259 8.9002 105.6041 44.9252 0.0000 173.0124 186 F 4.8750 7.6882 118.7150 56.4665 42.1786 173.9419 187 Y 4.8472 8.9621 116.5933 57.6718 39.6750 175.6754 188 H 4.9275 8.4401 119.3195 55.3430 29.7082 175.9592 189 S 4.4760 8.7420 117.6280 61.5086 64.3252 175.1275 190 R 4.2618 7.9824 123.6005 57.0761 29.9361 179.6964 191 Q 3.9801 8.4743 124.7898 55.2486 32.7077 168.0857 192 C 3.3652 7.8890 124.6847 58.7186 25.2596 172.7273 *201 G 3.8997 7.8164 110.4551 46.5460 0.0000 169.1157 202 L 4.7186 7.9417 116.9617 54.1979 46.1517 174.5935 203 C 5.1252 8.9390 121.3335 57.9546 32.9257 173.0903 204 W 5.4489 8.9730 118.5707 55.6405 31.8932 172.6748 205 C 5.6770 8.3499 118.3813 55.3433 39.4607 173.3182 206 V 5.2342 7.6685 114.0597 58.5863 36.3517 173.5239 207 Y 4.0431 7.7906 118.4955 56.1864 38.6976 175.3822 208 P 4.7249 0.0000 0.0000 64.6537 31.8598 178.5900 209 W 4.5667 7.1656 114.0901 58.5792 28.5463 176.6249 210 N 4.9648 7.8837 113.5917 51.3142 38.6812 175.1882 211 G 2.8494 8.0665 106.4715 45.6261 0.0000 173.6110 212 K 4.3922 8.6240 121.7443 55.7702 33.9071 177.2364 213 R 4.5545 8.3303 123.0858 56.8002 30.1277 177.5077 214 I 3.6992 8.0000 125.4283 59.4492 38.0023 174.4146 215 P 4.3175 0.0000 0.0000 63.7673 31.7669 177.1945 216 G 3.9638 8.7837 109.3276 45.6485 0.0000 173.4862 217 S 4.3906 7.4581 115.2009 56.6737 63.0223 172.0588 218 P 4.4813 0.0000 0.0000 62.3586 32.1534 175.4426 219 E 5.5273 8.7812 120.5799 53.7199 30.5373 174.6267 220 I 4.6669 8.1540 121.7947 59.1129 41.5398 176.2478 221 R 4.5319 8.6641 124.5658 54.3416 26.5083 176.6562 222 G 3.8377 7.4819 111.2763 44.8678 0.0000 168.6236 223 D 4.3247 8.2009 119.6529 53.5152 40.9701 173.9109 224 P 4.2233 0.0000 0.0000 65.2111 31.7109 175.4002 225 N 4.9815 7.7147 115.9594 51.8790 41.5344 175.1960 226 C 4.4211 8.5858 119.8270 57.2230 41.4915 173.6710 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 148 K 8.31 4.25 0.00 1.76 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.41 7.81 149 E 7.73 4.00 0.00 1.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 150 P 0.00 4.20 0.00 2.51 2.34 0.00 2.38 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 151 C 7.45 3.60 0.00 1.23 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.27 3.36 0.00 1.66 1.83 0.00 3.09 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.22 0.00 153 I 7.18 3.58 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 0.92 0.00 0.00 154 E 7.86 3.95 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 155 L 7.96 3.86 0.00 1.64 1.41 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 7.63 4.39 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.05 4.01 0.00 1.89 2.02 0.00 3.33 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 158 V 7.96 3.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.03 0.00 0.00 159 V 7.75 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.02 0.00 0.00 160 E 8.00 4.10 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 161 S 7.67 4.23 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.41 4.58 0.00 1.61 1.44 0.32 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *176 F 8.07 4.46 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 8.62 4.96 0.00 3.15 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.29 4.26 0.00 1.78 1.49 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.38 0.00 2.04 2.20 0.00 3.10 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 180 N 8.70 4.73 0.00 2.87 2.98 0.00 0.00 6.13 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 C 8.49 4.90 0.00 2.70 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 N 8.52 4.61 0.00 2.92 2.52 0.00 0.00 7.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 K 8.80 3.84 0.00 1.79 1.81 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.07 7.81 184 N 7.63 4.33 0.00 3.08 3.29 0.00 0.00 7.33 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 8.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 7.69 4.88 0.00 3.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 8.96 4.85 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 H 8.44 4.93 0.00 3.22 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 8.74 4.48 0.00 3.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 R 7.98 4.26 0.00 1.62 1.78 0.00 3.29 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 191 Q 8.47 3.98 0.00 1.71 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.58 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 192 C 7.89 3.37 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *201 G 7.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 L 7.94 4.72 0.00 1.73 1.83 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 203 C 8.94 5.13 0.00 3.04 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 W 8.97 5.45 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 C 8.35 5.68 0.00 2.72 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 V 7.67 5.23 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.89 0.00 0.00 207 Y 7.79 4.04 0.00 2.57 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 P 0.00 4.72 0.00 2.14 2.22 0.00 2.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 209 W 7.17 4.57 0.00 3.49 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 N 7.88 4.96 0.00 2.95 3.26 0.00 0.00 6.04 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 G 8.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 8.62 4.39 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.61 7.81 213 R 8.33 4.55 0.00 1.60 1.73 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 214 I 8.00 3.70 1.63 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.81 0.00 0.00 215 P 0.00 4.32 0.00 2.09 2.02 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 216 G 8.78 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 7.46 4.39 0.00 3.74 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 P 0.00 4.48 0.00 2.23 2.03 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 219 E 8.78 5.53 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 220 I 8.15 4.67 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.92 0.00 0.00 221 R 8.66 4.53 0.00 1.62 1.80 0.00 3.43 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 222 G 7.48 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 D 8.20 4.32 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 P 0.00 4.22 0.00 2.12 2.08 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 225 N 7.71 4.98 0.00 2.95 2.64 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 C 8.59 4.42 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.