NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 116 D 4.5208 8.4645 120.1915 53.2031 43.4364 175.5228 117 R 4.2687 7.7807 118.6525 52.2746 31.2528 176.4277 118 P 4.4657 0.0000 0.0000 61.8497 32.8673 176.0013 119 Q 4.1150 8.5270 119.7727 56.3626 29.2555 176.1257 120 K 4.6672 8.7313 120.4052 53.5674 36.3013 174.3121 121 P 4.3245 0.0000 0.0000 64.1427 31.7016 176.9828 122 F 4.1035 8.7915 117.2491 58.2934 37.0692 177.1738 123 D 4.3897 8.0118 122.4947 56.6859 41.1185 176.3254 124 K 4.9010 7.8568 118.7833 54.7915 36.1568 174.8256 125 F 5.6345 9.3679 125.8904 55.9295 41.8872 174.3572 126 F 5.0159 9.5318 124.5426 56.5049 39.9412 174.9942 127 I 5.5208 8.1952 117.7757 58.8235 39.8109 174.3522 128 D 4.8098 8.3067 121.9493 53.8583 44.9217 172.8592 129 Y 5.3182 8.6969 119.1445 56.4699 40.1711 175.3807 130 I 4.5930 9.7017 123.6879 59.9945 40.8486 174.6609 131 G 3.8828 8.9199 110.8649 42.3617 0.0000 171.2436 132 P 3.7324 0.0000 0.0000 62.1622 31.6128 176.8668 133 L 4.5113 8.1474 124.8275 52.2417 43.8310 174.6386 134 P 4.4413 0.0000 0.0000 62.3079 31.9887 175.0186 135 P 4.5406 0.0000 0.0000 62.9824 31.7841 175.7437 136 S 4.4554 8.4011 117.1081 56.1497 64.0565 173.6555 137 Q 3.3270 9.5646 127.1864 56.8888 26.1025 174.0753 138 G 3.9031 8.3076 101.2254 46.7642 0.0000 173.7073 139 Y 4.7984 7.9749 116.4650 55.9929 40.5619 176.3814 140 L 5.0789 9.2717 119.4463 54.5873 45.0188 175.9213 141 Y 5.2537 8.4822 114.9152 56.1156 43.0075 174.1449 142 V 5.0612 8.9690 121.7078 61.1833 34.3854 174.2066 143 L 4.4991 9.7541 131.1456 54.3740 43.6249 175.1694 144 V 4.5941 9.1368 126.6932 61.1323 34.1222 174.3918 145 V 4.7759 9.0175 127.4774 61.4112 34.2878 173.8188 146 V 4.8519 8.6393 128.7579 60.8302 34.0375 174.2075 147 D 4.9778 9.3420 128.9202 54.2975 41.6583 176.7448 148 G 4.0069 9.6095 114.8591 50.2370 0.0000 174.6745 149 M 4.3106 8.5537 119.2725 58.1790 32.7467 177.1031 150 T 4.0869 8.3993 108.2352 61.6499 69.6797 176.3963 151 G 3.9123 8.4167 109.3461 45.5633 0.0000 173.2264 152 F 3.9677 7.8380 122.0926 58.1895 40.4571 174.1388 153 T 4.9464 8.2967 122.1413 61.3977 71.3602 173.3611 154 W 4.6885 9.6965 125.6423 54.7849 32.2581 174.5006 155 L 5.1461 8.5282 123.8626 53.1763 43.6527 175.6195 156 Y 4.9591 8.8702 120.3859 55.4919 41.7014 172.9348 157 P 5.4570 0.0000 0.0000 63.0359 32.5984 175.4889 158 T 5.1343 9.7904 113.2385 60.2513 72.4300 174.5515 159 K 4.2881 8.7969 119.4910 57.3194 32.9152 176.8409 160 A 4.2469 7.1576 119.4192 50.4225 22.5720 174.5074 161 P 2.9700 0.0000 0.0000 61.6662 31.0232 176.2885 162 S 4.5522 6.8329 113.5173 57.2756 67.0973 174.3588 163 T 3.6987 8.1592 119.4267 67.0534 68.2221 176.1678 164 S 4.0445 8.1275 113.8708 61.6597 62.2694 175.9710 165 A 4.0239 7.8426 122.9059 55.4422 18.1263 179.5502 166 T 3.8260 7.9805 114.1552 66.8420 68.5182 176.9074 167 V 3.0584 8.1087 122.6713 66.3013 31.5112 178.4917 168 K 3.9022 7.9955 123.4000 60.1084 31.5720 180.7676 169 S 3.9897 8.0465 116.3870 61.4446 62.7370 177.0936 170 L 3.9684 8.2571 121.5667 57.4313 41.0085 179.2560 171 N 4.5245 8.3743 116.6708 56.2507 38.6389 177.0544 172 V 3.7347 7.4837 119.1339 66.1254 31.6425 177.8644 173 L 3.9982 7.6126 119.9681 57.7598 41.6597 177.4516 174 T 4.7317 7.9737 109.9461 61.9410 70.2836 176.1095 175 S 4.5770 7.6824 118.2858 59.6738 63.9758 174.7177 176 I 4.1204 7.4267 121.6796 62.4981 38.0954 175.7221 177 A 4.2585 7.3027 120.9567 50.7924 21.7360 174.7287 178 I 4.4532 7.5394 121.6790 58.4852 39.1744 174.4069 179 P 4.2501 0.0000 0.0000 62.1805 32.2077 176.4305 180 K 4.1230 8.7461 119.4651 58.8550 33.4711 177.5440 181 V 5.2181 7.4510 118.2657 60.6294 35.4531 173.8880 182 I 4.8239 8.2856 127.9442 59.9355 39.5581 173.8536 183 H 5.3326 8.5049 127.2672 54.8048 32.3168 173.3954 184 S 4.8642 8.1930 117.6678 57.3759 66.7437 173.7280 185 D 5.4697 8.5555 120.6867 52.0328 41.0243 175.4127 186 Q 4.3841 8.4546 115.3309 55.8153 29.3078 176.7903 187 G 3.6793 8.4253 106.7425 45.7253 0.0000 175.2707 188 A 3.8340 8.5660 123.5415 55.0993 18.0270 180.1908 189 A 3.8784 7.4236 117.7274 54.6091 18.8220 178.9053 190 F 4.4267 7.5737 116.1137 59.4939 39.4244 177.5136 191 T 4.0505 7.0979 104.4463 61.3214 69.3642 175.1011 192 S 4.4162 7.1750 116.8873 58.2506 64.1060 175.4663 193 S 4.3207 8.5993 116.9986 61.4623 62.9221 176.7750 194 T 3.9016 7.9596 119.2086 66.7118 68.3533 175.9415 195 F 4.3090 8.3916 122.2496 61.2144 39.2571 176.8595 196 A 4.1038 8.3582 122.7628 56.0558 18.1975 180.1508 197 E 3.9248 8.3217 116.7198 60.7625 29.2958 180.6947 198 W 4.3034 8.6353 129.4185 60.6758 30.7234 178.0605 199 A 3.5580 8.1245 120.4307 54.6434 17.8865 179.4819 200 K 3.7781 8.1420 118.5309 59.4956 32.0071 178.5978 201 E 3.8273 8.0231 118.3376 59.5542 29.5823 179.0898 202 R 4.0310 6.9673 113.4564 55.3336 30.4428 176.6341 203 G 3.7192 7.4248 106.4861 46.5874 0.0000 173.4681 204 I 4.2362 7.4241 120.0982 59.6082 39.0070 175.1512 205 H 4.6465 8.7456 127.1447 55.1247 31.2644 173.7881 206 L 4.5637 8.0667 125.7665 53.7808 43.0103 175.7055 207 E 4.3000 8.3376 123.8733 54.2915 32.7044 173.9765 208 F 5.6404 8.5075 125.4042 55.3837 41.7491 175.6789 209 S 4.5724 8.7481 118.4122 58.1081 63.1122 174.2199 210 T 4.2650 8.5557 111.6817 61.0721 69.2417 171.7841 211 P 4.3274 0.0000 0.0000 64.0234 31.9654 175.1615 212 Y 4.2449 8.7571 122.7992 58.7358 36.5791 170.3013 *213 H 4.8290 7.2700 117.0538 52.4042 26.8026 176.0252 214 P 4.7514 0.0000 0.0000 61.1409 30.5514 176.5228 215 Q 4.2714 8.1415 124.3323 56.7340 29.7209 175.9398 216 S 4.5183 7.9877 112.9897 55.8126 66.2337 173.9013 217 S 4.2052 7.8615 113.8801 58.4116 63.8345 174.8261 218 G 3.5699 8.5332 114.1006 47.8926 0.0000 175.9179 219 K 3.9176 7.9087 121.6539 59.0523 31.9920 178.9655 220 V 3.4024 7.3448 118.0417 65.8296 31.4102 177.4710 221 E 3.8814 8.1301 118.2662 59.7158 29.4557 179.4188 222 R 3.8401 7.6980 117.7152 59.3395 30.0472 178.7827 223 K 3.9625 7.8977 118.8633 59.6388 31.1973 178.3822 224 N 4.3026 9.5341 117.0479 56.0103 38.7409 176.6179 225 S 4.1340 8.2538 114.8624 61.3196 62.7076 175.1810 226 D 4.3399 7.7306 121.4620 57.7301 40.5967 178.9859 227 I 3.6197 7.5045 121.9963 65.1244 37.1596 178.8338 228 K 3.8031 7.3283 121.1838 59.9789 31.5181 180.5488 229 R 4.0243 7.7660 119.9067 59.3179 29.9718 178.2673 230 L 3.9029 8.2961 120.0173 58.2160 42.0543 178.9073 231 L 3.9571 8.4718 119.2240 58.0106 41.4337 179.7607 232 T 3.9209 8.0563 118.2679 67.1045 68.2081 177.6052 233 K 3.9375 7.8433 124.5519 59.7088 31.6763 180.4089 234 L 4.3481 7.6623 119.9594 58.1172 42.1473 178.7299 235 L 4.1850 8.0487 118.7344 56.5164 42.0302 178.4936 236 V 3.6705 7.6375 119.3016 62.6581 31.8926 177.2448 237 G 4.1003 9.7300 111.7498 46.0564 0.0000 173.9631 238 R 4.7666 7.5055 119.7593 54.5646 31.1479 174.9368 239 P 4.5585 0.0000 0.0000 65.0298 32.3355 177.0669 240 T 4.2071 8.0809 115.3556 63.3658 67.8573 175.9773 241 K 4.6494 7.8212 121.1242 53.9826 32.9389 183.1694 242 W 4.4364 8.0305 118.1302 60.2525 27.3055 177.5713 243 Y 3.6688 7.4485 121.1706 60.8316 37.9935 177.7297 244 D 4.5166 7.7964 118.2936 56.7229 41.1503 177.8183 245 L 4.3830 7.5377 117.1760 54.9901 41.8973 178.3897 246 L 3.9604 7.4595 119.9927 57.3286 41.6205 177.3520 247 P 4.1619 0.0000 0.0000 66.1650 30.9099 178.4296 248 V 3.5763 7.7379 117.9071 65.2854 31.3889 177.8367 249 V 3.4478 8.0793 118.3877 66.0456 31.3321 177.5641 250 Q 3.6873 8.2599 119.4421 59.2425 28.7060 178.0051 251 L 3.8713 7.7354 118.8464 57.9810 41.4280 179.5345 252 A 2.7914 7.2973 120.3287 54.6744 18.2235 179.7256 253 L 3.7387 7.6203 117.5852 57.8835 41.6215 179.3150 254 N 4.1810 8.2877 115.8900 54.5913 38.0760 176.1051 255 N 4.9867 7.0827 115.9121 53.0039 39.0556 174.2656 256 T 4.1679 7.2899 116.2291 62.5001 69.4208 174.1893 257 Y 4.7110 8.2319 123.9537 57.9645 38.5505 176.0552 258 S 4.3189 8.6073 119.9256 57.3547 63.0785 173.3746 259 P 4.2839 0.0000 0.0000 64.6850 31.4464 176.4584 260 V 4.2783 7.5801 117.5308 62.0463 33.4796 173.9449 261 L 4.3518 8.7378 128.0635 54.0490 40.2165 175.1736 262 K 4.0865 7.6531 113.8234 56.7403 29.3136 174.2001 263 Y 5.0564 7.4824 114.0660 55.7736 42.0270 176.1618 264 T 4.4544 8.5515 114.9259 60.3804 71.0924 174.0343 265 P 4.4308 0.0000 0.0000 65.3720 31.3747 178.0689 266 H 4.4482 8.6404 117.4192 59.9994 29.7264 177.1317 267 Q 4.4802 8.3114 120.7042 58.5659 28.3353 178.8035 268 L 3.9386 7.7415 118.9490 57.0087 41.6713 178.6678 269 L 3.8151 7.4771 119.6146 56.6567 40.9740 177.6918 270 F 4.9333 7.9204 115.5160 55.9329 39.8289 176.4349 271 G 4.0322 8.3133 106.5341 45.9532 0.0000 173.3833 272 I 4.7915 7.2514 109.0118 58.5183 40.8578 174.1652 273 D 4.6029 8.5902 121.0855 54.5954 41.2887 176.3255 274 S 4.5465 8.2452 116.3754 57.3426 63.5460 174.0807 275 N 4.4314 8.5752 121.9460 54.8503 38.6769 175.3359 276 T 4.3160 7.7730 108.2744 59.0495 69.0153 171.5732 277 P 4.7821 0.0000 0.0000 61.4466 33.2835 176.0715 278 F 4.2349 8.4225 117.3661 57.7795 39.5455 175.1506 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 116 D 8.46 4.52 0.00 2.65 2.58 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 0.00 117 R 7.78 4.27 0.00 1.95 1.69 0.00 3.33 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.00 118 P 0.00 4.47 0.00 2.16 2.08 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 119 Q 8.53 4.11 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 120 K 8.73 4.67 0.00 1.86 1.60 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 121 P 0.00 4.32 0.00 1.12 1.31 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 122 F 8.79 4.10 0.00 3.31 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 0.00 123 D 8.01 4.39 0.00 2.80 2.72 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 0.00 124 K 7.86 4.90 0.00 1.74 1.55 0.00 1.53 0.00 0.00 1.35 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.55 1.28 7.81 125 F 9.37 5.63 0.00 2.86 2.93 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 0.00 126 F 9.53 5.02 0.00 2.97 3.02 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 0.00 127 I 8.20 5.52 1.71 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.30 0.95 0.00 0.00 128 D 8.31 4.81 0.00 2.84 2.55 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 0.00 129 Y 8.70 5.32 0.00 2.98 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 0.00 130 I 9.70 4.59 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.83 0.00 0.00 131 G 8.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 3.73 0.00 1.81 1.72 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 133 L 8.15 4.51 0.00 1.40 1.26 -0.28 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.44 0.00 2.39 2.10 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 135 P 0.00 4.54 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 136 S 8.40 4.46 0.00 2.83 2.63 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 0.00 137 Q 9.56 3.33 0.00 1.60 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 138 G 8.31 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 0.00 139 Y 7.97 4.80 0.00 3.05 3.13 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 0.00 140 L 9.27 5.08 0.00 1.76 1.43 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.48 5.25 0.00 2.95 3.03 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 0.00 142 V 8.97 5.06 2.08 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 0.81 0.00 0.00 0.84 0.00 0.00 143 L 9.75 4.50 0.00 1.79 1.79 0.26 0.28 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 0.00 144 V 9.14 4.59 2.21 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 0.98 0.00 0.00 0.94 0.00 0.00 145 V 9.02 4.78 2.39 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 0.81 0.00 0.00 1.13 0.00 0.00 146 V 8.64 4.85 2.18 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 1.02 0.00 0.00 0.93 0.00 0.00 147 D 9.34 4.98 0.00 3.10 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 0.00 148 G 9.61 4.01 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 0.00 0.00 0.00 149 M 8.55 4.31 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 150 T 8.40 4.09 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 1.08 0.00 0.00 151 G 8.42 3.91 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 0.00 152 F 7.84 3.97 0.00 2.90 2.34 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 0.00 153 T 8.30 4.95 3.87 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 1.09 0.00 0.00 154 W 9.70 4.69 0.00 3.25 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 0.00 155 L 8.53 5.15 0.00 1.50 1.51 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.87 4.96 0.00 2.98 2.92 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 0.00 157 P 0.00 5.46 0.00 2.05 2.15 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 158 T 9.79 5.13 4.42 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 1.64 0.00 0.00 159 K 8.80 4.29 0.00 1.69 1.83 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.87 1.13 7.81 160 A 7.16 4.25 1.07 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 0.00 161 P 0.00 2.97 0.00 1.47 0.87 0.00 3.20 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.00 162 S 6.83 4.55 0.00 3.91 3.80 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 0.00 163 T 8.16 3.70 4.21 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 1.29 0.00 0.00 164 S 8.13 4.04 0.00 3.86 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 0.00 165 A 7.84 4.02 1.36 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 0.00 166 T 7.98 3.83 4.25 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 0.97 0.00 0.00 167 V 8.11 3.06 2.12 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 1.02 0.00 0.00 0.73 0.00 0.00 168 K 8.00 3.90 0.00 1.81 1.82 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.37 7.81 169 S 8.05 3.99 0.00 3.87 3.52 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 0.00 170 L 8.26 3.97 0.00 1.33 1.80 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.37 4.52 0.00 2.96 2.97 0.00 0.00 6.93 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 0.00 172 V 7.48 3.73 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 1.16 0.00 0.00 1.01 0.00 0.00 173 L 7.61 4.00 0.00 1.73 1.72 -0.27 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 174 T 7.97 4.73 4.17 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 1.38 0.00 0.00 175 S 7.68 4.58 0.00 3.82 3.94 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 0.00 176 I 7.43 4.12 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 1.06 0.00 0.00 177 A 7.30 4.26 0.55 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 0.00 178 I 7.54 4.45 1.63 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.67 0.00 0.00 179 P 0.00 4.25 0.00 1.83 0.49 0.00 3.50 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.41 0.00 180 K 8.75 4.12 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.33 7.81 181 V 7.45 5.22 2.14 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 1.13 0.00 0.00 0.90 0.00 0.00 182 I 8.29 4.82 1.88 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.98 0.00 0.00 183 H 8.50 5.33 0.00 3.01 2.39 0.00 5.82 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.19 4.86 0.00 3.19 3.36 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 0.00 185 D 8.56 5.47 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.45 4.38 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 187 G 8.43 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.57 3.83 1.20 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 0.00 0.00 189 A 7.42 3.88 0.82 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 0.00 190 F 7.57 4.43 0.00 3.21 3.15 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 0.00 191 T 7.10 4.05 4.04 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 0.69 0.00 0.00 192 S 7.17 4.42 0.00 4.16 4.18 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 0.00 193 S 8.60 4.32 0.00 4.12 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 0.00 194 T 7.96 3.90 4.34 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 1.30 0.00 0.00 195 F 8.39 4.31 0.00 3.16 3.37 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 0.00 196 A 8.36 4.10 1.52 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 0.00 197 E 8.32 3.92 0.00 2.01 1.97 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 2.24 2.19 0.00 198 W 8.64 4.30 0.00 3.31 3.26 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 0.00 199 A 8.12 3.56 1.30 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 0.00 200 K 8.14 3.78 0.00 1.90 1.76 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.44 7.81 201 E 8.02 3.83 0.00 1.88 1.78 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 2.26 2.38 0.00 202 R 6.97 4.03 0.00 1.10 1.53 0.00 2.21 0.00 0.00 2.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.00 203 G 7.42 3.72 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 0.00 204 I 7.42 4.24 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 0.83 0.00 0.00 205 H 8.75 4.65 0.00 3.13 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.07 4.56 0.00 1.39 1.02 1.16 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 216 S 7.99 4.52 0.00 3.35 3.80 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 7.86 4.21 0.00 3.82 3.34 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 G 8.53 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 219 K 7.91 3.92 0.00 1.80 1.76 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 220 V 7.34 3.40 1.69 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 0.64 0.00 0.00 0.42 0.00 0.00 221 E 8.13 3.88 0.00 2.13 1.94 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 2.27 2.41 0.00 222 R 7.70 3.84 0.00 2.06 1.97 0.00 3.10 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 223 K 7.90 3.96 0.00 1.89 1.88 0.00 1.39 0.00 0.00 1.47 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.39 7.81 224 N 9.53 4.30 0.00 2.91 2.77 0.00 0.00 6.95 7.51 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 0.00 225 S 8.25 4.13 0.00 3.96 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 0.00 226 D 7.73 4.34 0.00 2.84 2.65 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 0.00 0.00 0.00 0.00 227 I 7.50 3.62 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.83 0.00 0.00 228 K 7.33 3.80 0.00 1.74 1.84 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 229 R 7.77 4.02 0.00 1.86 2.04 0.00 3.03 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 230 L 8.30 3.90 0.00 1.80 1.56 0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 231 L 8.47 3.96 0.00 1.73 1.55 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 232 T 8.06 3.92 4.21 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 1.18 0.00 0.00 233 K 7.84 3.94 0.00 1.87 1.74 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 234 L 7.66 4.35 0.00 1.67 1.98 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 235 L 8.05 4.19 0.00 1.77 1.70 0.75 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 236 V 7.64 3.67 2.08 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 0.83 0.00 0.00 0.94 0.00 0.00 237 G 9.73 4.10 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 0.00 0.00 0.00 238 R 7.51 4.77 0.00 2.00 1.90 0.00 3.15 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 239 P 0.00 4.56 0.00 2.24 2.32 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 240 T 8.08 4.21 4.27 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 1.23 0.00 0.00 241 K 7.82 4.65 0.00 1.69 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.20 7.81 242 W 8.03 4.44 0.00 3.57 3.39 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 0.00 243 Y 7.45 3.67 0.00 2.42 2.60 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 0.00 244 D 7.80 4.52 0.00 2.69 2.76 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 0.00 245 L 7.54 4.38 0.00 1.88 1.72 0.97 0.55 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 0.00 246 L 7.46 3.96 0.00 1.64 1.63 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 247 P 0.00 4.16 0.00 2.24 2.29 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 248 V 7.74 3.58 2.19 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 1.08 0.00 0.00 0.95 0.00 0.00 249 V 8.08 3.45 2.18 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 0.91 0.00 0.00 0.97 0.00 0.00 250 Q 8.26 3.69 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.43 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 251 L 7.74 3.87 0.00 1.80 1.82 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 252 A 7.30 2.79 0.85 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 0.00 253 L 7.62 3.74 0.00 1.50 1.49 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 254 N 8.29 4.18 0.00 2.27 2.29 0.00 0.00 6.83 6.63 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 0.00 255 N 7.08 4.99 0.00 2.88 2.83 0.00 0.00 6.98 7.42 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 0.00 256 T 7.29 4.17 4.13 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 1.16 0.00 0.00 257 Y 8.23 4.71 0.00 3.00 2.81 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 0.00 258 S 8.61 4.32 0.00 3.93 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 0.00 259 P 0.00 4.28 0.00 2.21 2.17 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 260 V 7.58 4.28 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 261 L 8.74 4.35 0.00 1.98 2.14 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 262 K 7.65 4.09 0.00 1.61 1.36 0.00 1.20 0.00 0.00 1.31 0.00 0.00 2.44 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.33 1.13 7.81 263 Y 7.48 5.06 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 264 T 8.55 4.45 4.47 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 0.98 0.00 0.00 265 P 0.00 4.43 0.00 2.14 2.20 0.00 4.01 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 266 H 8.64 4.45 0.00 3.44 3.50 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 267 Q 8.31 4.48 0.00 2.66 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 268 L 7.74 3.94 0.00 1.77 1.64 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 269 L 7.48 3.82 0.00 1.08 0.79 0.44 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 270 F 7.92 4.93 0.00 3.13 2.94 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 0.00 271 G 8.31 4.03 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 0.00 272 I 7.25 4.79 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 1.04 0.00 0.00 273 D 8.59 4.60 0.00 2.73 2.69 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 0.00 274 S 8.25 4.55 0.00 3.21 3.66 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 0.00 275 N 8.58 4.43 0.00 2.74 2.84 0.00 0.00 6.76 7.54 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 0.00 276 T 7.77 4.32 4.18 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 1.19 0.00 0.00 277 P 0.00 4.78 0.00 2.08 2.01 0.00 3.28 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.20 0.00 278 F 8.42 4.23 0.00 3.01 2.87 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.