NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 P 4.4237 0.0000 0.0000 61.5015 31.9941 177.2080 -4 R 4.4652 9.4113 111.9775 56.7284 36.2241 176.5582 -3 G 3.8752 7.9966 100.6704 47.7445 0.0000 173.3044 -2 S 4.6199 8.0255 126.0314 57.4721 65.2963 172.5878 *-1 H 5.0496 7.8233 112.4141 54.6569 31.3346 169.5887 0 M 4.4017 8.4447 114.1216 59.0068 32.1655 176.7791 1 M 4.6434 7.1990 117.0688 54.5007 36.2735 175.0705 2 R 3.7783 8.5687 120.2712 57.2438 27.0305 176.3858 3 K 4.2139 7.5067 116.5725 56.1649 33.6864 178.9359 4 Q 4.3224 8.5590 122.0971 56.0895 30.5543 174.9364 5 R 5.2851 8.5998 120.9917 54.7976 32.3890 175.3873 6 I 4.8246 8.7832 116.5714 59.0372 41.6388 174.1670 7 V 4.8231 8.3812 123.4850 61.3385 34.1062 174.2110 8 I 4.7398 8.8905 129.1318 59.4006 37.9920 174.6964 9 K 4.6790 8.8841 130.0641 55.9438 33.3150 175.7110 10 I 4.6849 8.7350 130.2809 59.2358 39.3643 176.0308 11 S 4.6046 8.6138 122.2069 57.5118 64.0422 175.6157 12 G 3.6812 8.7722 107.6923 48.0522 0.0000 175.6989 13 A 4.0610 8.0594 122.2566 55.0445 18.1207 179.1147 14 C 4.2148 7.8860 113.7116 61.8289 28.3895 174.3951 15 L 4.5136 8.1120 119.3193 54.1689 42.3901 175.7136 16 K 4.7862 7.5129 119.4694 54.5981 34.4494 174.8635 17 Q 4.2863 8.7636 126.8552 57.3891 29.6462 174.6782 18 N 5.0503 7.4711 112.2645 51.2591 40.4251 174.4917 19 D 4.4697 8.5955 117.4701 56.7658 40.9456 178.3573 20 S 4.2879 8.1348 113.6452 60.4320 63.2639 174.6374 21 S 4.6490 7.6719 114.5812 56.0766 65.1562 173.7879 22 I 3.8972 8.6357 121.0218 63.0281 37.6546 176.3102 23 I 4.6812 7.5612 120.6032 59.1906 40.1380 173.7906 24 D 4.9154 9.4412 126.0980 52.5287 42.5172 177.1623 25 F 4.3519 9.0881 122.4787 60.0684 37.9314 177.7033 26 I 3.4239 6.6014 119.7337 63.9260 36.9425 178.3698 27 K 3.9112 7.9752 119.1245 59.5582 31.9018 179.3688 28 I 3.7904 7.7806 118.8834 64.0176 37.8016 177.7186 29 N 4.4228 8.4033 117.6184 56.1901 38.4024 177.1188 30 D 4.3501 8.2878 120.4514 57.3148 40.9254 178.7587 31 L 3.9783 7.9866 119.2000 57.8264 41.5739 179.4331 32 A 4.0229 8.1626 120.6072 55.2265 18.1775 179.4555 33 E 3.9234 8.4493 117.2050 59.7385 29.4866 179.7171 34 Q 4.0167 8.0678 117.8739 59.0737 28.7163 178.8697 35 I 3.7126 7.9511 120.8918 64.0888 36.8611 177.8701 36 E 3.9349 8.2157 119.6458 59.4947 29.6161 178.9366 37 K 4.1655 7.8612 118.0643 59.5844 32.1327 179.5325 38 I 3.8989 8.0868 120.5356 64.2606 36.8258 178.2978 39 S 4.6482 8.2300 115.1420 59.9254 62.8915 176.1241 40 K 4.1665 7.7874 122.2308 58.4075 31.9454 177.3978 41 K 4.6670 7.9130 115.5975 55.4107 33.6019 176.0906 42 Y 4.9706 7.6947 116.5862 56.0773 43.0392 174.3389 43 I 4.4059 8.5880 123.1858 60.8045 38.5902 174.9747 44 V 4.7659 8.4679 127.5825 61.2595 33.8721 174.2043 45 S 5.2658 9.0562 124.2085 56.9445 65.5113 172.9633 46 I 4.9173 9.2883 126.4922 59.6084 39.4835 174.7201 47 V 4.7708 8.7229 127.1127 61.3193 33.4054 174.1972 48 L 5.1194 8.2381 127.4959 53.4693 43.4622 176.9262 49 G 3.9848 8.7298 110.5589 44.8238 0.0000 173.6577 50 G 4.3578 8.4076 104.6579 44.9451 0.0000 175.0677 51 G 4.3574 8.3727 110.7392 47.8879 0.0000 175.2811 52 N 4.5141 8.2475 116.2938 54.8521 37.7822 175.5966 53 I 4.3762 7.8029 117.8440 61.7161 39.5685 175.6457 54 W 5.0746 8.8850 129.5528 55.3730 33.2113 173.8955 55 R 4.8954 7.2119 119.8752 53.1136 32.4080 176.1472 56 G 3.6215 8.4718 104.7908 47.8309 0.0000 176.0237 57 S 4.0624 7.7786 116.0196 61.3636 63.0440 176.5856 58 I 3.5040 7.0515 122.1178 63.7370 36.6268 178.0622 59 A 4.1158 7.4191 121.2180 55.1532 18.2038 179.7001 60 K 3.9065 7.7297 116.9469 59.7127 31.9407 179.3103 61 E 3.9855 7.6668 117.1226 59.1728 29.4612 178.5751 62 L 4.3658 7.7413 115.7318 53.4113 42.6689 175.9514 63 D 4.2861 7.7559 117.6084 55.4027 39.9872 173.3022 64 M 4.5231 8.2848 118.1318 53.6585 33.9161 175.7152 65 D 4.6096 8.4688 126.1319 53.1321 41.6938 177.1300 66 R 3.7969 8.5074 120.4441 59.6822 29.7875 178.3707 67 N 4.2793 8.1688 115.7290 56.4594 38.6153 176.9669 68 L 3.9077 7.8669 120.7913 57.7316 42.4175 178.3777 69 A 4.1601 8.1333 120.8604 55.6478 18.4397 179.5001 70 D 4.4011 8.2958 117.1480 57.3635 40.9214 178.8051 71 N 4.2747 7.7289 117.1383 56.4355 38.4947 177.2841 72 M 3.6995 7.7500 120.2375 58.0636 31.8995 179.0004 73 G 3.7106 7.5680 105.4639 48.1122 0.0000 175.6767 74 M 4.1301 7.8510 120.8758 58.4186 32.0639 178.7858 75 M 4.0173 7.9041 118.3432 58.1736 32.0746 178.5274 76 A 4.0494 8.0161 121.2593 55.4974 18.5481 179.8472 77 T 3.9339 7.9205 107.8557 64.8169 68.8426 176.9731 78 I 3.7085 7.6017 122.6754 64.1869 37.2441 178.2829 79 I 3.7066 7.6257 120.2296 64.6131 36.9763 178.2159 80 N 4.4803 8.2577 117.3348 56.2694 38.3726 177.7006 81 G 3.6329 8.5723 107.5289 47.9180 0.0000 175.8076 82 L 4.0656 8.1666 121.2142 57.1881 41.5858 179.5042 83 A 3.9888 7.9350 120.6005 55.0241 18.3360 179.4758 84 L 3.9170 8.1142 119.0101 58.0935 42.0812 178.6824 85 E 3.8810 8.2386 119.3749 59.2212 29.6335 178.2090 86 N 4.1430 8.0981 116.7370 56.7872 37.4834 176.5990 87 A 4.0567 7.9206 121.9650 55.2589 18.4512 179.6052 88 L 4.2975 8.1691 117.4581 57.7414 41.7310 179.3378 89 N 4.3566 8.4983 117.0517 56.5949 38.2467 177.0304 90 H 4.4577 7.9062 115.8441 57.7552 28.7641 176.6814 91 L 4.5468 6.9771 117.4541 53.4045 41.8040 175.8241 92 N 4.1927 7.9297 114.7783 54.1533 36.6885 174.0567 93 V 3.9407 7.5622 118.3174 62.0830 32.4600 175.0756 94 N 4.5057 8.7824 127.1932 54.1281 39.7071 173.3331 95 T 5.1019 8.3047 119.8614 60.6723 71.1287 172.5003 96 I 4.6000 8.6915 126.2876 59.3312 42.0412 173.7986 97 V 4.5202 8.3939 128.6401 61.7156 33.1550 174.1629 98 L 4.9396 8.7485 129.0065 53.1070 44.0586 175.4111 99 S 5.3360 9.1373 119.3795 56.4918 64.3738 174.7090 100 A 4.4313 8.8999 127.7995 53.6436 18.9394 177.4991 101 I 4.3086 7.2711 116.4212 58.8093 38.9098 175.5884 102 K 4.0513 8.5611 127.1292 56.9311 32.8365 177.0469 103 C 4.8055 8.1802 123.6674 58.5037 32.8420 173.3013 104 D 4.4693 8.1997 124.1677 56.9305 41.0067 178.9697 105 K 4.0553 7.9706 116.2674 57.8394 32.5262 177.2366 106 L 4.5889 7.4037 117.4125 55.6685 43.7109 176.8089 107 V 4.5994 7.6635 108.4746 59.9484 36.1167 174.9915 108 H 4.6015 8.5255 119.4695 55.4870 30.2677 174.2188 109 E 4.9122 8.6116 122.2310 55.3597 30.5546 176.0367 110 S 4.6752 9.1307 122.5724 58.5369 64.3042 173.4599 111 S 4.5238 8.4709 114.7541 56.2440 65.5656 175.7227 112 A 4.0061 8.6904 122.5472 55.5312 17.8523 179.6048 113 N 4.2656 8.1063 114.1897 56.7951 38.7577 177.3760 114 N 4.3653 8.1963 117.6920 56.0074 38.4727 177.7738 115 I 3.7478 7.9673 121.4474 64.2486 37.3174 177.9986 116 K 3.8228 7.9974 120.4919 59.7345 32.0021 178.5517 117 K 3.9478 8.3868 119.6055 59.4660 32.0107 178.6581 118 A 4.0282 8.1247 121.1469 54.9704 18.2623 179.7777 119 I 3.6802 8.0859 118.7421 64.4838 36.9766 178.2751 120 E 3.9876 7.9765 118.3145 59.4941 29.4928 179.1585 121 K 4.1438 7.7917 114.5860 56.1299 32.8083 176.5366 122 E 3.8532 7.9533 118.1476 57.3659 27.6229 174.7837 123 Q 4.4930 8.0216 115.9187 55.2772 30.4413 177.2994 124 V 3.8640 8.6224 123.0681 63.2872 32.8235 174.6696 125 M 4.4958 8.9088 128.6020 54.0831 33.6228 175.4381 126 I 4.4100 8.4630 126.7252 59.8029 38.8594 174.8913 127 F 5.1327 9.4018 127.7171 56.7785 40.4612 175.5377 128 V 4.5993 8.4883 121.9600 61.6506 35.7978 174.8118 129 A 3.8988 9.7166 126.6428 52.8824 17.7166 179.9455 130 G 3.7649 7.8751 112.8888 48.8373 0.0000 176.0917 131 T 4.1498 8.7462 114.0501 60.4364 69.1950 175.0590 132 G 3.9651 8.2209 110.3266 45.7138 0.0000 173.3843 133 F 4.7770 7.6418 117.2553 54.4541 42.0673 173.3764 134 P 4.6276 0.0000 0.0000 63.9713 31.9796 175.4324 135 Y 3.5879 9.1084 113.8391 58.6811 35.4852 169.4344 136 F 4.8302 8.2482 117.2793 55.7515 42.0632 175.6386 137 T 4.6032 8.4086 114.8349 60.5518 71.9473 176.0790 138 T 3.9306 8.4163 117.7050 66.9765 68.3769 176.4766 139 D 4.3953 8.1203 120.4387 57.4621 40.9874 178.8412 140 S 4.2468 8.0742 114.2959 61.7119 62.9070 176.3284 141 C 4.0807 8.2989 120.1615 62.4223 27.8368 175.8057 142 A 3.9657 8.3032 122.3304 55.0063 17.9298 179.5891 143 A 3.9226 8.0956 119.1846 55.4432 18.4572 179.9519 144 I 3.6062 7.7841 118.3120 64.6398 37.1182 179.0061 145 R 3.5237 8.2446 119.0521 58.7150 29.7490 178.9980 146 A 3.9352 8.0950 120.5223 55.1071 18.5672 179.5348 147 A 3.9004 8.0174 119.3010 55.3141 18.2395 179.4759 148 E 3.8858 8.1218 117.0939 59.1764 29.8299 178.2551 149 T 4.2668 7.8942 106.7453 60.8245 69.7374 174.1217 150 E 3.7685 7.7444 119.7462 57.6356 27.5899 174.7419 151 S 4.7280 8.7659 114.2146 57.3623 64.0280 175.1489 152 S 4.5337 8.6342 119.0707 59.7353 64.6007 173.4705 153 I 5.1579 7.5812 120.6071 59.4736 41.8163 173.2782 154 I 4.8962 8.9130 129.6765 59.4721 39.7760 174.7790 155 L 4.6608 9.2227 128.5854 55.0395 42.5267 176.2543 156 M 4.9146 9.2815 126.7719 53.3868 31.6659 174.1845 157 G 3.1132 8.0224 108.5366 45.7465 0.0000 170.2889 158 K 4.5783 8.8486 125.4625 54.9290 35.0106 175.8604 159 N 5.1375 7.9559 121.5516 52.3499 37.1253 173.8943 160 G 4.0294 8.4873 113.1031 45.0240 0.0000 172.2111 161 V 4.4532 7.6915 119.4785 60.8129 33.4154 176.1854 162 D 4.8061 9.2112 126.4953 56.5167 42.0205 176.4360 163 G 4.4241 7.3820 109.1432 46.5018 0.0000 174.1597 164 V 4.4082 8.0589 125.3541 61.0672 33.2990 173.9955 165 Y 5.6600 8.3444 125.0056 56.3792 40.4210 173.2170 166 D 4.6350 8.8601 117.9422 56.4772 41.9603 175.1773 *173 P 4.0825 0.0000 0.0000 62.3257 32.6194 175.6697 174 N 4.1999 8.6163 112.7681 53.7507 36.0538 174.2866 175 A 4.3174 7.0985 120.6085 53.2391 19.5378 177.3627 176 Q 4.5932 8.4599 117.8780 54.9480 30.4420 175.2367 177 F 4.3136 8.7282 126.0083 57.3133 40.7697 174.1303 178 Y 4.2606 7.2406 123.7862 56.6628 38.4414 175.8280 179 E 4.0740 8.7626 124.1443 59.1359 31.0570 176.2513 180 H 5.3447 7.8046 117.4212 54.8607 33.0111 172.8020 181 I 4.5162 8.0881 117.8480 59.3208 41.4180 175.0310 182 T 5.1422 7.9014 118.9906 61.9804 69.9076 176.1713 183 F 4.2079 8.3196 121.6631 60.7354 38.7560 177.5362 184 N 4.2890 8.2849 115.7085 56.8224 38.5960 176.7827 185 M 3.8730 8.1347 118.4970 58.5315 31.9473 178.0009 186 A 3.9333 7.8712 121.2488 54.8981 18.6385 179.5773 187 L 3.9191 7.7453 117.5879 59.4559 40.5698 179.5147 188 T 4.0803 7.9799 115.5339 65.2825 68.5041 174.6665 189 Q 4.4310 7.4710 119.5777 55.1495 29.0225 174.8267 190 N 4.1058 8.4744 110.7926 53.5748 36.8109 174.4910 191 L 4.2509 7.4609 119.0618 53.9048 40.8884 177.7388 192 K 4.3223 8.1907 125.5180 56.1092 31.0542 177.1157 193 V 3.6999 7.8590 126.2501 66.3902 32.1131 175.4396 194 M 4.9363 7.5232 115.5071 52.2094 36.3044 174.8955 195 D 4.5474 8.4074 119.1690 53.3492 41.4490 176.9179 196 A 4.0011 8.6047 122.5403 55.8766 18.2753 180.3905 197 T 3.7572 7.8253 113.2680 66.7098 68.6489 176.5698 198 A 4.0177 8.0567 122.1613 55.0665 18.3537 179.5078 199 L 3.9052 7.9642 117.2253 57.9626 41.6817 179.5861 200 A 3.8652 7.9797 120.3881 55.2147 18.1130 179.5827 201 L 3.8760 7.9314 117.3656 58.1916 41.6882 179.6830 202 C 4.0795 8.0614 116.5065 62.7103 27.9403 176.1232 203 Q 3.3172 7.5177 119.5061 58.9455 28.0815 178.6097 204 E 3.9709 8.0017 118.2802 58.7171 29.4876 177.9110 205 N 4.7476 7.4032 112.9591 51.9467 39.4785 174.2341 206 N 4.1120 7.5002 114.9564 54.7146 37.7767 174.1246 207 I 4.6539 8.0908 117.8721 60.0672 39.2473 177.2181 208 N 5.1715 9.3847 124.7741 52.4401 40.8312 173.9652 209 L 5.1578 8.7345 120.7771 53.1171 45.1041 175.6834 210 L 5.0036 9.0182 125.0123 53.3239 43.8628 174.3955 211 V 4.7907 9.0662 127.1067 61.9124 33.1319 174.7307 212 F 5.7656 8.4611 121.4328 56.1308 42.1341 172.5720 213 N 5.1768 8.8935 118.0239 52.4635 38.3424 174.3351 214 I 4.0823 8.4539 127.8461 62.8127 38.5060 176.8459 215 D 4.4962 8.3716 121.6390 56.9798 41.0503 176.7933 216 K 4.2878 7.9403 118.5653 55.1832 32.7141 174.4717 217 P 4.2743 0.0000 0.0000 64.3372 31.7355 175.6235 218 N 4.3265 9.1036 117.0353 54.2853 36.5794 176.2091 219 A 4.0690 7.8565 122.3488 55.5195 18.4028 180.6158 220 I 3.4483 8.0695 118.3119 64.3191 36.7555 178.8392 221 V 3.6364 7.9093 118.5853 66.2230 31.4614 177.7197 222 D 4.3471 8.2165 118.6555 57.3995 40.7644 179.1734 223 V 3.5971 7.5351 112.7978 63.8301 31.1784 178.4427 224 L 3.9385 7.1211 116.5195 56.6262 41.4934 178.0294 225 E 4.4171 7.3592 116.0167 55.0647 29.6374 176.0438 226 K 3.8946 7.3947 116.6092 57.4353 30.2740 177.1465 227 K 4.2013 8.7432 121.2840 58.4459 32.4534 176.5277 228 N 5.2700 7.7790 115.3436 51.3537 41.2313 173.1678 229 K 4.1428 8.5571 119.0280 57.0498 32.7310 175.6762 230 Y 5.5148 7.9675 120.2541 56.5634 41.2748 173.8000 231 T 4.7856 9.3260 116.5537 61.8717 72.2582 173.2414 232 I 4.7691 8.4785 127.0764 60.2607 39.0916 174.7289 233 V 4.5696 8.5068 127.8501 61.2381 33.6148 174.7384 234 S 4.7663 7.7683 120.8144 57.1735 67.0455 175.2589 235 K 4.3071 8.7537 118.4540 56.8872 31.8683 177.3192 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 -5 P 0.00 4.42 0.00 2.11 1.64 0.00 3.71 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 1.84 1.59 0.00 -4 R 9.41 4.47 0.00 1.85 1.78 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.26 0.00 -3 G 8.00 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 -2 S 8.03 4.62 0.00 3.67 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 *-1 H 7.82 5.05 0.00 2.78 2.95 0.00 7.15 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 8.44 4.40 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 1 M 7.20 4.64 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 2 R 8.57 3.78 0.00 1.94 1.96 0.00 3.36 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 3 K 7.51 4.21 0.00 1.63 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.43 7.81 4 Q 8.56 4.32 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 5 R 8.60 5.29 0.00 1.81 1.89 0.00 3.10 0.00 0.00 3.63 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 6 I 8.78 4.82 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.77 0.00 0.00 7 V 8.38 4.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 8 I 8.89 4.74 1.92 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 1.14 0.74 1.00 0.00 0.00 9 K 8.88 4.68 0.00 1.86 1.72 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 10 I 8.74 4.68 1.90 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 1.32 0.85 0.93 0.00 0.00 11 S 8.61 4.60 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.77 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 13 A 8.06 4.06 1.32 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 0.00 0.00 14 C 7.89 4.21 0.00 3.12 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 15 L 8.11 4.51 0.00 1.84 1.70 0.98 0.56 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 16 K 7.51 4.79 0.00 1.70 1.65 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.62 7.81 17 Q 8.76 4.29 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 18 N 7.47 5.05 0.00 2.93 2.87 0.00 0.00 6.14 8.07 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 19 D 8.60 4.47 0.00 2.69 2.78 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 0.00 0.00 0.00 20 S 8.13 4.29 0.00 4.02 4.02 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 21 S 7.67 4.65 0.00 3.84 3.76 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 22 I 8.64 3.90 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 1.00 0.00 0.00 23 I 7.56 4.68 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.96 0.00 0.00 24 D 9.44 4.92 0.00 2.69 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 25 F 9.09 4.35 0.00 3.39 3.25 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 0.00 26 I 6.60 3.42 1.63 0.00 0.00 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 1.21 -0.36 0.75 0.00 0.00 27 K 7.98 3.91 0.00 1.93 2.01 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.38 7.81 28 I 7.78 3.79 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 1.07 0.00 0.00 29 N 8.40 4.42 0.00 2.90 2.89 0.00 0.00 6.96 7.66 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 30 D 8.29 4.35 0.00 2.90 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 31 L 7.99 3.98 0.00 2.02 1.74 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.16 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.45 3.92 0.00 2.22 2.03 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 2.35 2.53 0.00 34 Q 8.07 4.02 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 35 I 7.95 3.71 2.01 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 1.43 0.74 0.93 0.00 0.00 36 E 8.22 3.93 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 37 K 7.86 4.17 0.00 1.95 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 38 I 8.09 3.90 1.96 0.00 0.00 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 1.57 0.66 0.91 0.00 0.00 39 S 8.23 4.65 0.00 4.03 4.08 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 0.00 0.00 0.00 0.00 40 K 7.79 4.17 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.68 1.63 7.81 41 K 7.91 4.67 0.00 1.51 1.27 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.14 7.81 42 Y 7.69 4.97 0.00 2.91 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 43 I 8.59 4.41 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.96 0.00 0.00 44 V 8.47 4.77 2.11 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 45 S 9.06 5.27 0.00 4.06 4.15 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 46 I 9.29 4.92 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.97 1.00 0.00 0.00 47 V 8.72 4.77 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 1.14 0.00 0.00 1.02 0.00 0.00 48 L 8.24 5.12 0.00 1.71 1.60 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.73 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.41 4.36 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 0.00 51 G 8.37 4.36 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 0.00 52 N 8.25 4.51 0.00 3.03 3.10 0.00 0.00 5.88 7.81 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 53 I 7.80 4.38 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 1.02 0.00 0.00 54 W 8.89 5.07 0.00 3.30 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 55 R 7.21 4.90 0.00 1.80 1.86 0.00 2.91 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.00 56 G 8.47 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.78 4.06 0.00 3.95 4.05 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 0.00 0.00 0.00 58 I 7.05 3.50 0.68 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.22 0.64 0.00 0.00 59 A 7.42 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.73 3.91 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.59 7.81 61 E 7.67 3.99 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 62 L 7.74 4.37 0.00 1.82 1.78 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.76 4.29 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.28 4.52 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 65 D 8.47 4.61 0.00 2.94 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 66 R 8.51 3.80 0.00 1.85 1.85 0.00 3.07 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.18 0.00 67 N 8.17 4.28 0.00 2.97 2.88 0.00 0.00 6.77 6.74 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 68 L 7.87 3.91 0.00 1.74 1.78 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.13 4.16 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.30 4.40 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.73 4.27 0.00 2.83 2.74 0.00 0.00 6.91 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.75 3.70 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.41 0.00 73 G 7.57 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.85 4.13 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 75 M 7.90 4.02 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 76 A 8.02 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.92 3.93 4.28 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 0.00 0.00 0.00 1.32 0.00 0.00 78 I 7.60 3.71 2.01 0.00 0.00 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 1.52 1.01 0.90 0.00 0.00 79 I 7.63 3.71 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 0.93 0.00 0.00 80 N 8.26 4.48 0.00 2.93 2.89 0.00 0.00 6.98 7.74 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 81 G 8.57 3.63 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 0.00 0.00 0.00 82 L 8.17 4.07 0.00 1.85 1.72 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.93 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.11 3.92 0.00 1.93 1.67 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.24 3.88 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 86 N 8.10 4.14 0.00 2.98 2.97 0.00 0.00 7.14 8.66 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 87 A 7.92 4.06 1.42 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 0.00 0.00 0.00 88 L 8.17 4.30 0.00 1.83 1.72 0.92 0.59 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 89 N 8.50 4.36 0.00 2.87 2.82 0.00 0.00 6.95 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.91 4.46 0.00 3.32 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 6.98 4.55 0.00 1.73 1.70 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 92 N 7.93 4.19 0.00 2.88 2.90 0.00 0.00 6.83 7.19 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 93 V 7.56 3.94 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 0.70 0.00 0.00 0.99 0.00 0.00 94 N 8.78 4.51 0.00 2.81 2.68 0.00 0.00 6.58 7.22 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 95 T 8.30 5.10 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 96 I 8.69 4.60 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.33 0.78 0.00 0.00 97 V 8.39 4.52 2.07 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 0.96 0.00 0.00 1.05 0.00 0.00 98 L 8.75 4.94 0.00 1.30 1.61 0.74 0.50 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 99 S 9.14 5.34 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.90 4.43 1.39 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 0.00 0.00 101 I 7.27 4.31 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.88 0.00 0.00 102 K 8.56 4.05 0.00 1.71 1.72 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.43 7.81 103 C 8.18 4.81 0.00 2.93 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 0.00 104 D 8.20 4.47 0.00 2.76 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 0.00 105 K 7.97 4.06 0.00 1.73 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 106 L 7.40 4.59 0.00 1.63 1.64 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.66 4.60 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 0.64 0.00 0.00 0.99 0.00 0.00 108 H 8.53 4.60 0.00 3.33 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.61 4.91 0.00 2.00 1.86 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 2.28 2.32 0.00 110 S 9.13 4.68 0.00 4.11 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 0.00 111 S 8.47 4.52 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.69 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.11 4.27 0.00 2.76 2.89 0.00 0.00 7.09 6.92 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 0.00 114 N 8.20 4.37 0.00 2.78 2.86 0.00 0.00 7.11 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 0.00 115 I 7.97 3.75 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.90 1.03 0.00 0.00 116 K 8.00 3.82 0.00 1.93 2.06 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.48 7.81 117 K 8.39 3.95 0.00 1.93 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 118 A 8.12 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.09 3.68 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.93 0.00 0.00 120 E 7.98 3.99 0.00 2.17 2.02 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 2.35 2.41 0.00 121 K 7.79 4.14 0.00 1.72 1.84 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.52 7.81 122 E 7.95 3.85 0.00 2.09 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 2.38 2.41 0.00 123 Q 8.02 4.49 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 124 V 8.62 3.86 2.06 0.00 0.00 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 0.94 0.00 0.00 125 M 8.91 4.50 0.00 1.18 1.78 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.31 0.00 126 I 8.46 4.41 1.79 0.00 0.00 0.83 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 0.71 0.90 0.00 0.00 127 F 9.40 5.13 0.00 3.20 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 0.00 128 V 8.49 4.60 2.11 0.00 0.00 0.00 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 0.97 0.00 0.00 129 A 9.72 3.90 1.37 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 0.00 0.00 130 G 7.88 3.76 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 0.00 0.00 0.00 131 T 8.75 4.15 3.81 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 0.56 0.00 0.00 132 G 8.22 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 133 F 7.64 4.78 0.00 2.97 3.28 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 0.00 0.00 0.00 0.00 134 P 0.00 4.63 0.00 2.17 2.09 0.00 4.07 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 2.39 2.22 0.00 135 Y 9.11 3.59 0.00 3.06 3.05 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 0.00 0.00 0.00 136 F 8.25 4.83 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.60 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 138 T 8.42 3.93 4.28 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 0.00 0.00 0.00 1.28 0.00 0.00 139 D 8.12 4.40 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.25 0.00 4.33 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.30 4.08 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.10 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.78 3.61 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.55 0.76 0.00 0.00 145 R 8.24 3.52 0.00 1.62 1.44 0.00 2.21 0.00 0.00 2.56 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.00 146 A 8.09 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.02 3.90 1.34 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 0.00 0.00 148 E 8.12 3.89 0.00 2.04 1.96 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 2.28 2.27 0.00 149 T 7.89 4.27 4.32 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 1.39 0.00 0.00 150 E 7.74 3.77 0.00 2.19 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 0.00 2.25 2.27 0.00 151 S 8.77 4.73 0.00 3.92 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 0.00 152 S 8.63 4.53 0.00 3.93 4.14 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 0.00 0.00 0.00 0.00 153 I 7.58 5.16 1.89 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 1.35 1.53 0.89 0.00 0.00 154 I 8.91 4.90 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.96 0.00 0.00 155 L 9.22 4.66 0.00 1.73 2.05 0.74 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 156 M 9.28 4.91 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 157 G 8.02 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.85 4.58 0.00 1.75 1.69 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.55 7.81 159 N 7.96 5.14 0.00 2.58 2.77 0.00 0.00 7.46 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 0.00 160 G 8.49 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 0.00 161 V 7.69 4.45 2.17 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 1.37 0.00 0.00 0.96 0.00 0.00 162 D 9.21 4.81 0.00 3.12 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 0.00 163 G 7.38 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 0.00 0.00 0.00 0.00 164 V 8.06 4.41 1.86 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 0.84 0.00 0.00 0.84 0.00 0.00 165 Y 8.34 5.66 0.00 3.02 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 0.00 166 D 8.86 4.63 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *173 P 0.00 4.08 0.00 2.17 2.00 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 174 N 8.62 4.20 0.00 2.90 2.89 0.00 0.00 5.95 7.26 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 0.00 175 A 7.10 4.32 1.39 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 0.00 0.00 176 Q 8.46 4.59 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 177 F 8.73 4.31 0.00 2.83 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 0.00 178 Y 7.24 4.26 0.00 2.56 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 0.00 179 E 8.76 4.07 0.00 1.90 1.95 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 2.48 2.39 0.00 180 H 7.80 5.34 0.00 3.06 3.10 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.09 4.52 1.50 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.26 0.21 0.00 0.00 182 T 7.90 5.14 4.26 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 1.32 0.00 0.00 183 F 8.32 4.21 0.00 3.14 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 0.00 184 N 8.28 4.29 0.00 2.77 2.88 0.00 0.00 6.75 7.66 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 0.00 185 M 8.13 3.87 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 186 A 7.87 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 3.92 0.00 1.91 1.94 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 188 T 7.98 4.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 189 Q 7.47 4.43 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 190 N 8.47 4.11 0.00 2.85 2.88 0.00 0.00 6.91 7.84 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 0.00 191 L 7.46 4.25 0.00 1.62 1.58 0.58 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.19 4.32 0.00 1.87 1.85 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 193 V 7.86 3.70 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 0.90 0.00 0.00 194 M 7.52 4.94 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 195 D 8.41 4.55 0.00 2.87 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 0.00 196 A 8.60 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 3.76 4.36 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 1.15 0.00 0.00 198 A 8.06 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.91 0.00 2.04 1.73 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 200 A 7.98 3.87 1.32 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 0.00 0.00 201 L 7.93 3.88 0.00 2.01 1.70 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 202 C 8.06 4.08 0.00 2.89 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 Q 7.52 3.32 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.17 1.35 0.00 204 E 8.00 3.97 0.00 2.08 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 2.30 2.30 0.00 205 N 7.40 4.75 0.00 2.72 2.76 0.00 0.00 7.13 7.80 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 0.00 206 N 7.50 4.11 0.00 2.74 2.82 0.00 0.00 6.99 9.28 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 0.00 207 I 8.09 4.65 1.89 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 1.42 0.90 0.96 0.00 0.00 208 N 9.38 5.17 0.00 2.65 2.88 0.00 0.00 6.47 6.68 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 0.00 209 L 8.73 5.16 0.00 1.58 1.59 1.01 0.88 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 0.00 210 L 9.02 5.00 0.00 1.70 1.56 0.66 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 211 V 9.07 4.79 2.16 0.00 0.00 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 0.96 0.00 0.00 212 F 8.46 5.77 0.00 3.24 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 0.00 213 N 8.89 5.18 0.00 2.95 2.91 0.00 0.00 7.27 7.94 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 0.00 214 I 8.45 4.08 1.45 0.00 0.00 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 1.23 1.03 0.86 0.00 0.00 215 D 8.37 4.50 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 K 7.94 4.29 0.00 1.89 1.79 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.47 7.81 217 P 0.00 4.27 0.00 2.19 2.07 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 218 N 9.10 4.33 0.00 3.02 3.08 0.00 0.00 7.02 7.09 0.00 0.00 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 A 7.86 4.07 1.66 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 0.00 0.00 220 I 8.07 3.45 1.97 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 1.70 1.35 0.92 0.00 0.00 221 V 7.91 3.64 2.20 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 1.07 0.00 0.00 0.99 0.00 0.00 222 D 8.22 4.35 0.00 2.76 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 0.00 223 V 7.54 3.60 1.42 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 0.67 0.00 0.00 -0.24 0.00 0.00 224 L 7.12 3.94 0.00 1.70 1.63 0.44 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 225 E 7.36 4.42 0.00 2.06 1.96 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 2.30 2.34 0.00 226 K 7.39 3.89 0.00 2.00 2.06 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.29 7.81 227 K 8.74 4.20 0.00 1.91 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.41 7.81 228 N 7.78 5.27 0.00 2.78 2.83 0.00 0.00 6.94 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 K 8.56 4.14 0.00 1.86 1.42 0.00 0.71 0.00 0.00 1.15 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.05 1.22 7.81 230 Y 7.97 5.51 0.00 3.18 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 0.00 231 T 9.33 4.79 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 1.05 0.00 0.00 232 I 8.48 4.77 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.96 0.00 0.00 233 V 8.51 4.57 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 0.48 0.00 0.00 0.80 0.00 0.00 234 S 7.77 4.77 0.00 4.08 3.89 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 0.00 235 K 8.75 4.31 0.00 1.89 1.86 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.76 7.81 * Residues marked with a * may have inaccurate shift predictions.