NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3331 0.0000 0.0000 62.7773 32.6358 175.3632 3 G 3.7989 7.8431 106.8730 43.9638 0.0000 171.3589 4 S 4.3286 9.0411 117.1310 57.7375 64.0975 171.7572 5 I 4.9181 7.8858 126.6612 58.8241 40.8675 173.3709 6 P 4.6485 0.0000 0.0000 62.3233 32.2577 175.8284 7 L 4.8663 9.5711 120.7637 52.4979 44.3220 176.5990 8 I 3.9878 8.1677 122.2569 63.1805 37.3613 176.7467 9 G 3.9770 9.2179 114.5624 45.0024 0.0000 173.3645 10 E 4.4611 8.1206 119.4667 55.3528 31.5415 175.5658 11 R 4.6179 8.3465 121.8697 55.6370 31.0447 175.8592 12 F 4.1603 9.5260 129.8246 57.6997 39.9933 173.1445 13 P 4.1626 0.0000 0.0000 63.0409 31.6259 176.0241 14 E 4.7500 8.4267 121.7021 55.7869 30.1530 176.2424 *16 E 4.2623 8.4324 120.8353 56.4060 30.8502 175.6605 17 V 4.5873 8.9215 116.2770 59.8183 36.2009 174.5658 18 T 4.7765 8.3551 119.7139 62.5311 70.4634 174.0337 19 T 4.9559 8.3350 116.0638 59.4440 72.1750 174.4484 20 D 4.3866 8.5358 120.7477 57.2495 40.7320 177.6543 21 H 4.7170 8.2216 113.5481 54.6803 29.8857 172.4267 22 G 3.6440 7.5917 105.7261 43.5502 0.0000 173.1303 23 V 4.3511 8.0292 118.7339 62.9696 32.2782 175.9843 24 I 4.5909 8.7587 126.8221 59.4379 42.0275 173.7955 25 K 4.6552 8.4515 126.3608 54.8308 34.0952 174.9445 26 L 4.9100 8.4891 127.0140 52.6694 44.0896 174.9098 27 P 4.6977 0.0000 0.0000 62.8011 31.7108 177.0718 28 D 4.3478 8.0595 119.8882 58.5160 40.5321 177.9736 29 H 3.6693 7.7827 116.8220 59.5241 29.9086 176.0137 30 Y 4.2918 7.4190 117.0479 60.2040 38.2630 177.5773 31 V 3.6732 8.3347 119.8593 66.2384 31.3819 178.1472 32 S 3.8383 8.5266 111.9035 61.1759 62.6871 174.9909 33 Q 4.3143 8.0176 117.2000 54.9385 28.6392 175.3940 34 G 4.0347 8.6440 106.4716 46.6558 0.0000 173.7742 35 K 4.9132 8.1202 117.9647 54.1629 35.1482 176.2686 36 W 5.0651 8.9581 123.1122 56.1024 31.3554 175.3482 37 F 5.2243 8.6030 116.1265 55.2875 41.3525 173.6348 38 V 4.5094 9.0223 122.0988 61.4595 33.1081 174.0398 39 L 5.6068 8.7956 131.4851 52.8431 43.6633 175.0922 40 F 5.6883 8.0504 120.9811 55.0339 41.2567 174.0550 41 S 5.5441 9.1564 115.3163 57.1505 65.6609 172.8311 42 H 5.1995 9.2397 115.4278 53.6261 31.5124 172.5354 43 P 4.3789 0.0000 0.0000 65.6846 31.1357 176.3428 44 A 4.4085 7.0927 117.0298 50.5079 21.5709 175.5137 45 D 3.3700 8.4740 121.3495 54.0236 41.4770 175.9617 46 F 3.4269 5.4600 116.0573 58.8732 36.4363 175.9430 47 T 4.5919 7.1058 107.9532 58.7961 71.8044 171.8830 48 P 4.4305 0.0000 0.0000 66.2250 31.3673 179.5069 49 V 4.0154 7.7395 116.2257 63.2576 31.0905 177.3877 *51 T 4.6654 8.0320 117.3875 63.4292 70.5357 176.4746 52 T 4.0545 8.2679 112.2247 64.7993 68.6769 176.6031 53 E 3.9436 8.7014 121.5951 59.2754 29.4554 179.2138 54 F 4.1343 8.6722 117.4151 60.6506 39.0134 177.7509 55 V 3.6760 8.0564 117.7552 65.8731 31.0605 178.1236 56 S 4.0500 7.8793 112.2533 61.3703 62.6922 175.7546 57 F 4.2199 8.5923 120.6679 60.4851 38.7295 177.5001 58 A 4.3142 8.6320 120.5645 55.5106 18.0465 179.9854 59 R 4.1002 8.2229 115.1106 58.4569 30.3713 178.5061 60 R 4.6138 7.6514 116.1648 56.0513 30.4576 177.1572 61 Y 4.3433 8.0253 122.6221 61.0184 38.7744 178.1325 62 E 3.9436 8.3782 118.8633 59.6016 29.1842 178.7402 63 D 4.3430 8.1379 118.2570 57.5851 40.8841 178.9680 64 F 4.0636 7.9241 117.4891 60.5044 38.8064 177.7382 65 Q 3.8897 8.2067 118.0000 59.1383 28.3091 179.1638 66 R 3.8982 8.2675 117.9416 58.8044 30.1461 178.1439 67 L 4.3357 7.3005 115.1559 54.1178 42.2742 176.9628 68 G 3.8062 8.2830 108.0167 46.2624 0.0000 172.7201 69 V 4.9041 8.1560 119.6433 60.9131 33.3037 174.7318 70 D 4.9359 9.2842 127.9380 53.0982 43.1547 175.3304 71 L 4.9145 8.2482 120.4454 53.2403 44.3629 175.9700 72 I 4.5200 8.0730 121.9474 59.9248 41.8857 174.4919 73 G 3.7485 8.8358 117.0721 44.6306 0.0000 171.8701 74 L 5.1320 7.7974 119.8313 54.0865 45.7265 173.9432 75 S 5.2139 8.5039 117.9462 58.0588 66.2028 175.3316 76 V 3.9603 8.5488 122.4962 64.9818 31.6840 175.9995 77 D 4.7765 7.8890 119.4023 53.9152 41.4976 176.4698 78 S 4.3956 8.1862 115.6873 57.9327 65.4345 175.5883 79 V 3.4280 7.8424 115.4960 64.4362 31.1689 178.8741 80 F 4.2334 7.2419 117.1805 60.5798 38.8004 177.7085 81 S 4.3700 8.2480 114.9190 61.8719 62.5788 176.2314 82 H 4.4585 8.1752 118.9351 59.2615 28.5040 177.9481 83 I 3.7280 8.0424 121.4616 64.2991 36.9097 178.6924 84 K 4.3388 8.3771 119.4553 59.0307 31.8136 179.3586 85 W 3.6937 8.6231 129.2276 60.3230 30.6369 178.2820 86 K 3.5594 8.6716 118.9548 59.2125 31.3376 178.9485 87 E 3.9250 8.8085 119.9815 58.9520 29.5720 178.6003 88 W 4.1384 8.5791 128.5047 60.5927 30.7331 177.8885 89 I 3.8907 8.1834 119.7794 64.4495 36.6615 177.9528 90 E 4.1188 8.0342 121.3288 58.8342 29.2440 178.9185 91 R 3.7352 8.0649 117.8043 59.1650 30.1827 177.3677 92 H 4.2446 7.8309 114.5591 56.2178 29.3073 175.9322 93 I 4.1648 7.8337 120.0223 60.3909 38.7195 176.1862 94 G 3.8346 8.2550 107.4481 45.8562 0.0000 173.5340 95 V 4.3655 7.4416 117.6923 59.3832 34.2634 173.8059 96 R 4.2728 8.4036 123.8961 54.5906 31.1368 175.5280 97 I 3.8087 7.9923 126.6450 60.0359 36.9255 174.2392 98 P 4.1599 0.0000 0.0000 64.1770 31.6028 176.4143 99 F 4.8506 6.7942 113.3080 54.1857 40.0368 173.2366 100 P 4.2903 0.0000 0.0000 62.6068 33.2784 175.0915 101 I 4.8193 7.8213 119.9550 59.3980 40.6353 175.1194 102 I 4.2540 9.1638 128.7014 61.3648 38.4253 175.0142 103 A 4.8950 8.9085 128.0933 49.7478 20.7175 176.6596 104 D 4.8975 8.3886 123.3319 52.0424 41.1148 174.7524 105 P 5.0341 0.0000 0.0000 64.3786 31.9670 177.6058 106 Q 4.4217 8.2293 113.6468 55.1831 29.6757 176.3560 107 G 3.9915 8.4116 107.1592 45.6780 0.0000 175.3884 108 T 3.9745 8.0512 117.0747 66.9280 68.5645 176.2824 109 V 3.6000 8.7659 119.9087 65.8620 31.5928 177.9569 110 A 4.0928 8.8323 121.0485 55.2133 18.2028 179.8788 111 R 3.9075 9.3677 117.0330 59.4137 29.9401 179.1018 112 R 3.8918 7.8470 117.3790 58.9865 30.0759 177.5211 113 L 4.5510 7.6888 115.2759 53.5624 42.3087 176.8072 114 G 4.2589 8.0065 106.8584 46.3264 0.0000 175.0777 115 L 4.4851 8.6798 118.0456 54.7686 41.5904 176.7520 116 L 4.8327 7.2168 122.1832 53.9656 40.7195 176.1284 117 H 4.6519 8.2196 120.6775 54.8413 30.9732 175.7465 118 A 4.6618 8.4474 125.3595 52.8609 18.9197 177.6156 119 E 4.2095 8.1432 119.0684 57.7145 30.1419 176.4951 120 S 5.1455 7.6757 117.1327 58.5217 65.9620 176.9052 121 A 4.0535 8.6958 129.0525 52.9366 18.7118 175.9774 122 T 3.1068 8.9927 112.2409 61.9180 69.3340 168.3567 123 H 3.9161 8.5194 123.5010 55.7056 28.3859 175.4352 124 T 4.3671 8.3664 120.2737 63.2268 69.1003 174.6163 125 V 3.9869 8.1480 117.4421 60.5112 32.6534 177.1189 126 R 4.6301 8.2004 121.0589 55.9249 28.0774 176.9153 127 G 3.8444 8.3277 108.2877 46.2162 0.0000 173.2744 128 V 4.9826 7.8731 121.4200 61.2705 34.4995 174.2873 129 F 5.0877 9.8143 127.4566 55.8148 41.8793 174.6301 130 I 4.6754 8.7507 124.2390 59.4895 39.6967 174.6809 131 V 4.6430 8.0848 127.1373 60.8238 34.3194 175.3264 132 D 3.3700 8.3319 127.5474 51.1990 40.4290 176.8780 133 A 4.3158 7.0148 120.2645 53.5307 18.1785 178.1855 134 R 4.2590 7.8061 113.5219 55.5388 30.8019 177.0414 135 G 3.8905 8.7887 107.3535 45.6812 0.0000 172.8087 136 V 4.5563 7.8251 119.9155 60.5275 32.8841 174.9660 137 I 4.3223 8.5755 128.7240 61.9373 37.2643 176.6173 138 R 4.5004 8.9293 126.2869 57.0519 32.0070 175.7313 139 T 4.3118 7.4085 113.6176 62.9181 73.4049 171.7591 *141 L 4.2251 8.2216 120.4954 55.4580 43.4162 176.1675 142 Y 5.1737 8.6175 119.9379 56.5382 39.5688 174.7831 143 Y 4.5732 8.8017 122.2171 55.2975 40.1948 175.9621 144 P 4.9238 0.0000 0.0000 62.7595 29.7744 178.1413 *146 E 4.2027 8.9377 114.7786 55.1487 30.8275 174.6632 147 L 4.6273 7.8506 122.0902 52.9436 43.1205 176.1710 148 G 3.7667 8.5900 115.5029 45.4265 0.0000 172.6151 149 R 3.2896 9.7159 122.3364 55.4347 30.8991 176.5855 150 L 4.3505 7.6709 121.2178 53.3271 42.2101 176.9159 151 V 3.2604 7.8374 126.8416 65.7297 31.4130 177.2476 152 D 4.1077 7.8563 118.3234 57.1235 40.6461 178.1339 153 E 4.0129 8.0185 119.3341 59.0225 29.5698 178.8892 154 I 3.7983 7.4829 119.9393 64.0320 37.1015 178.3837 155 L 3.4670 7.3383 119.5441 57.4307 41.3794 179.1292 156 R 4.1501 7.7563 118.6489 59.6027 30.0307 178.5159 157 I 3.7058 7.7869 119.4600 64.4843 37.1444 178.6689 158 V 3.3987 7.7071 118.9745 65.5840 31.3483 177.7901 159 K 3.7449 8.5187 119.4845 59.6871 32.1042 178.6028 160 A 3.6451 8.6015 121.1921 54.9082 18.1749 179.3469 161 L 3.9813 8.0036 118.9249 58.1144 42.0775 179.4580 162 K 4.0350 7.9070 118.5269 59.3071 31.9286 179.2229 163 L 3.9964 7.8536 119.3682 57.8399 41.5828 179.8302 164 G 3.5713 8.2941 105.8811 47.9604 0.0000 175.4472 165 D 4.4441 8.3975 121.6957 56.9864 40.6150 179.0804 166 S 4.2790 8.1223 114.0288 61.2942 63.4266 175.8320 167 L 4.2429 8.1735 119.8030 53.3292 43.0112 176.8653 168 K 3.8983 7.3069 116.0344 57.1802 29.6744 173.8150 169 R 4.8901 8.3029 116.0757 54.6449 35.1832 175.6522 170 A 4.6563 9.0598 122.8128 50.6254 21.8026 176.0191 171 V 4.4024 7.9249 119.5126 60.1216 33.3570 174.1353 172 P 4.3854 0.0000 0.0000 61.9797 32.1202 175.5673 173 A 4.1761 8.4241 122.3707 54.0657 18.7977 177.3215 174 D 4.4262 8.9754 117.7480 54.4095 38.9289 173.7496 175 W 4.4028 7.9839 129.2084 57.4720 30.9579 173.5007 176 P 3.1294 0.0000 0.0000 62.6558 30.9750 175.4797 177 N 4.8710 7.7950 115.1832 53.3794 39.6976 174.6623 178 N 4.3870 7.8130 116.4403 53.6503 39.7165 175.4777 179 E 3.9538 8.7375 124.6473 59.5453 30.0308 178.6561 180 I 3.8374 7.7941 118.5561 63.7022 37.6009 176.8880 181 I 3.6869 7.2898 110.8438 59.2390 39.1339 176.8808 182 G 3.7097 7.7732 114.7045 47.3931 0.0000 175.7742 183 E 4.2812 9.0962 121.8083 55.6686 30.1007 176.4980 184 G 4.1330 8.0952 109.2307 46.1062 0.0000 172.8011 185 L 4.8758 8.8270 120.0202 52.6531 45.2880 175.9485 186 I 4.6311 8.4443 123.5477 60.7821 38.7012 175.2641 187 V 4.1225 8.4993 127.5038 61.4150 32.1236 174.2226 188 P 4.3121 0.0000 0.0000 62.1844 31.7627 174.4785 189 P 4.5473 0.0000 0.0000 62.0653 31.9122 174.5992 190 P 4.5477 0.0000 0.0000 63.2078 31.8070 176.3664 191 T 4.7196 8.5837 110.7768 61.3490 69.4046 174.1417 192 T 4.7025 7.4202 111.6754 59.1551 73.2667 173.9862 193 E 3.6458 8.6003 122.5368 59.7510 29.6817 178.9077 194 D 4.3337 7.9846 118.2121 57.5744 41.0065 178.7741 195 Q 3.9911 8.1458 118.3264 58.7927 28.4716 178.5145 196 A 4.0856 7.8656 121.3479 55.0641 18.3057 179.7151 197 R 3.9373 7.6534 115.6335 59.3828 30.3160 178.9111 198 A 4.1490 7.9442 119.0961 54.4140 18.4309 177.8776 199 R 4.2586 7.4896 116.3256 56.6057 32.7040 176.7012 *201 E 4.0413 7.9440 113.2833 53.9417 30.2988 174.0812 202 S 5.1073 8.3875 112.1090 55.6844 63.7790 170.9651 203 G 4.0025 8.1413 113.8232 46.3955 0.0000 174.4203 204 Q 3.8111 10.7000 118.3813 55.8191 29.1403 175.8566 205 Y 4.5955 7.5240 120.3973 58.0187 41.9453 176.2009 206 R 3.2683 7.1870 121.4477 52.0430 29.2566 175.9505 207 C 5.4054 8.4321 119.5342 55.4643 43.6307 174.2151 208 L 3.8651 8.5103 122.5224 55.9562 42.2859 175.8074 209 D 4.2955 6.9468 115.9971 52.7248 43.5728 175.9391 210 W 4.3650 8.6803 119.0245 58.3259 27.9848 176.7108 211 W 4.7450 6.5684 114.0197 56.1584 28.3423 176.2729 212 F 4.7310 7.5103 122.0390 56.0373 38.7088 171.9781 213 C 5.9124 8.2452 121.3830 54.6323 44.2775 172.4495 214 W 5.5625 8.5914 117.9675 55.9756 31.4037 173.0195 215 D 4.5639 8.8707 118.9167 52.2351 42.3993 174.2232 216 T 4.8655 8.1306 103.8589 60.0241 68.1215 171.8135 217 P 4.4414 0.0000 0.0000 64.4307 32.6635 177.4212 218 A 4.2535 7.8336 123.0182 51.6951 19.3075 177.9825 219 S 4.4507 8.4347 117.1096 57.7309 65.3247 175.5847 220 R 3.8730 8.4518 122.1145 59.8755 29.8371 178.3683 221 D 4.3052 8.0404 118.0565 57.3662 40.8436 178.3115 222 D 4.3364 8.0928 119.3984 57.4393 40.7929 179.0593 223 V 3.5095 7.8771 118.6565 65.9802 31.4524 177.6707 224 E 3.7628 8.3660 119.3187 58.9456 29.2619 178.4617 225 E 3.5642 8.0460 119.2093 59.1220 29.9117 178.5620 226 A 3.4671 7.5645 120.7185 55.2190 18.3961 179.8645 227 R 3.8448 7.8944 116.5280 59.0079 29.9788 179.3100 228 R 3.9900 7.8024 118.0563 58.6763 29.9929 178.3925 229 Y 4.2972 7.2457 116.9402 61.1887 37.9006 178.6850 230 L 3.9942 7.5669 118.5733 57.8704 41.7389 179.7244 231 R 3.8990 7.9363 118.0216 59.1406 29.7532 178.9756 232 R 3.8090 8.0982 117.4651 59.5857 30.2106 178.0235 233 A 4.0595 7.9708 118.7809 54.9418 18.3886 178.7520 234 A 4.2132 7.7633 117.1981 52.3449 19.5225 177.2117 235 E 4.1345 7.3278 118.6829 54.9974 30.4942 175.8962 236 K 4.1333 8.4873 127.4605 54.9319 32.7132 174.7249 237 P 4.1786 0.0000 0.0000 63.6561 31.3073 175.6973 238 A 4.5990 8.5593 123.4788 51.8379 19.3809 176.3230 239 K 4.1673 7.5108 116.4919 58.4781 34.0095 173.9037 240 L 3.5551 8.0616 128.3989 53.8390 38.2489 174.6022 241 L 4.1719 8.4091 121.7397 55.0201 41.5051 177.6073 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 2 P 0.00 4.33 0.00 2.16 2.09 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 3 G 7.84 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 0.00 0.00 0.00 4 S 9.04 4.33 0.00 3.86 3.74 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 0.00 0.00 0.00 0.00 5 I 7.89 4.92 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 1.01 0.00 0.00 6 P 0.00 4.65 0.00 2.25 1.98 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 7 L 9.57 4.87 0.00 1.70 1.55 0.97 0.90 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 8 I 8.17 3.99 1.89 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 1.37 0.49 0.97 0.00 0.00 9 G 9.22 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 10 E 8.12 4.46 0.00 2.05 1.89 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 2.31 2.34 0.00 11 R 8.35 4.62 0.00 1.85 1.86 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 12 F 9.53 4.16 0.00 3.09 3.04 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 13 P 0.00 4.16 0.00 1.72 1.85 0.00 2.20 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 1.62 1.91 0.00 14 E 8.43 4.75 0.00 1.98 1.91 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 2.36 2.26 0.00 *16 E 8.43 4.26 0.00 1.97 1.92 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 2.20 2.34 0.00 17 V 8.92 4.59 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 0.80 0.00 0.00 0.89 0.00 0.00 18 T 8.36 4.78 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 1.15 0.00 0.00 19 T 8.33 4.96 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 1.18 0.00 0.00 20 D 8.54 4.39 0.00 2.67 2.73 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 21 H 8.22 4.72 0.00 3.03 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.59 3.64 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 0.00 0.00 0.00 23 V 8.03 4.35 2.04 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 0.83 0.00 0.00 0.90 0.00 0.00 24 I 8.76 4.59 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.80 0.53 0.00 0.00 25 K 8.45 4.66 0.00 1.79 1.62 0.00 1.66 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81 26 L 8.49 4.91 0.00 1.88 1.48 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.70 0.00 2.51 2.50 0.00 3.99 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 28 D 8.06 4.35 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.78 3.67 0.00 2.96 2.73 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.42 4.29 0.00 3.13 3.22 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 0.00 31 V 8.33 3.67 2.25 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 1.14 0.00 0.00 1.03 0.00 0.00 32 S 8.53 3.84 0.00 3.94 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 33 Q 8.02 4.31 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 34 G 8.64 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 35 K 8.12 4.91 0.00 2.07 1.93 0.00 1.94 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.65 7.81 36 W 8.96 5.07 0.00 3.20 3.19 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 0.00 0.00 0.00 0.00 37 F 8.60 5.22 0.00 2.41 2.13 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 38 V 9.02 4.51 1.83 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 0.92 0.00 0.00 0.95 0.00 0.00 39 L 8.80 5.61 0.00 1.90 1.58 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.05 5.69 0.00 3.13 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 41 S 9.16 5.54 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 42 H 9.24 5.20 0.00 3.42 3.73 0.00 5.30 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.38 0.00 2.19 2.42 0.00 3.96 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 44 A 7.09 4.41 1.14 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 0.00 0.00 45 D 8.47 3.37 0.00 2.32 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 46 F 5.46 3.43 0.00 2.82 2.73 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 47 T 7.11 4.59 4.19 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 0.00 0.00 0.00 1.13 0.00 0.00 48 P 0.00 4.43 0.00 2.36 2.40 0.00 3.45 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 2.09 2.09 0.00 49 V 7.74 4.02 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 1.17 0.00 0.00 0.99 0.00 0.00 *51 T 8.03 4.67 4.64 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 1.45 0.00 0.00 52 T 8.27 4.05 4.31 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 1.38 0.00 0.00 53 E 8.70 3.94 0.00 2.28 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 0.00 2.28 2.59 0.00 54 F 8.67 4.13 0.00 3.09 3.08 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 55 V 8.06 3.68 2.31 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 1.05 0.00 0.00 1.06 0.00 0.00 56 S 7.88 4.05 0.00 3.93 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 57 F 8.59 4.22 0.00 3.08 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 58 A 8.63 4.31 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.22 4.10 0.00 2.07 2.05 0.00 3.32 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 60 R 7.65 4.61 0.00 2.03 1.84 0.00 3.12 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 61 Y 8.03 4.34 0.00 3.33 3.14 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 62 E 8.38 3.94 0.00 2.07 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 2.53 2.42 0.00 63 D 8.14 4.34 0.00 2.63 2.40 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 64 F 7.92 4.06 0.00 3.06 3.12 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 0.00 0.00 0.00 0.00 65 Q 8.21 3.89 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 1.73 2.24 0.00 66 R 8.27 3.90 0.00 1.84 1.98 0.00 3.15 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 67 L 7.30 4.34 0.00 1.63 1.49 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.28 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 0.00 0.00 0.00 0.00 69 V 8.16 4.90 2.36 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 0.90 0.00 0.00 0.78 0.00 0.00 70 D 9.28 4.94 0.00 2.56 2.44 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 71 L 8.25 4.91 0.00 0.92 0.74 0.45 -0.39 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 72 I 8.07 4.52 1.80 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 1.03 1.30 0.76 0.00 0.00 73 G 8.84 3.75 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 0.00 0.00 0.00 74 L 7.80 5.13 0.00 1.66 1.47 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.50 5.21 0.00 4.11 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 76 V 8.55 3.96 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 0.92 0.00 0.00 0.95 0.00 0.00 77 D 7.89 4.78 0.00 2.76 2.62 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 78 S 8.19 4.40 0.00 4.07 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 79 V 7.84 3.43 1.82 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 0.67 0.00 0.00 0.11 0.00 0.00 80 F 7.24 4.23 0.00 3.13 3.14 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 81 S 8.25 4.37 0.00 4.12 4.11 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 82 H 8.18 4.46 0.00 3.33 3.42 0.00 5.62 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 83 I 8.04 3.73 1.95 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 0.80 0.95 0.00 0.00 84 K 8.38 4.34 0.00 2.31 2.30 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.78 1.78 7.81 85 W 8.62 3.69 0.00 2.49 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 86 K 8.67 3.56 0.00 1.89 1.70 0.00 1.67 0.00 0.00 1.40 0.00 0.00 2.51 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.09 1.22 7.81 87 E 8.81 3.92 0.00 2.03 2.32 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 2.43 2.36 0.00 88 W 8.58 4.14 0.00 3.85 3.53 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 0.00 0.00 0.00 0.00 89 I 8.18 3.89 1.84 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 0.94 0.00 0.00 90 E 8.03 4.12 0.00 1.97 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 2.24 2.12 0.00 91 R 8.06 3.74 0.00 1.68 1.86 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.44 0.00 92 H 7.83 4.24 0.00 1.46 2.62 0.00 5.87 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 93 I 7.83 4.16 2.03 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.94 0.00 0.00 94 G 8.25 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 0.00 0.00 0.00 95 V 7.44 4.37 2.09 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 0.82 0.00 0.00 0.94 0.00 0.00 96 R 8.40 4.27 0.00 1.89 1.80 0.00 3.17 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 97 I 7.99 3.81 1.53 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 1.28 0.39 -0.02 0.00 0.00 98 P 0.00 4.16 0.00 1.37 1.80 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 99 F 6.79 4.85 0.00 3.33 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 0.00 100 P 0.00 4.29 0.00 2.03 1.90 0.00 3.98 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 101 I 7.82 4.82 1.70 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 1.49 0.75 0.70 0.00 0.00 102 I 9.16 4.25 1.92 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 1.13 0.94 0.98 0.00 0.00 103 A 8.91 4.89 1.06 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 0.00 0.00 0.00 0.00 0.00 104 D 8.39 4.90 0.00 2.75 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 0.00 105 P 0.00 5.03 0.00 2.08 2.14 0.00 3.72 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 106 Q 8.23 4.42 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 107 G 8.41 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 0.00 0.00 0.00 108 T 8.05 3.97 4.35 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 1.21 0.00 0.00 109 V 8.77 3.60 2.33 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 1.03 0.00 0.00 0.97 0.00 0.00 110 A 8.83 4.09 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 0.00 111 R 9.37 3.91 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 112 R 7.85 3.89 0.00 1.88 2.15 0.00 3.26 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 113 L 7.69 4.55 0.00 1.81 1.88 0.74 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.01 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 0.00 0.00 0.00 0.00 115 L 8.68 4.49 0.00 1.94 1.87 1.19 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.22 4.83 0.00 1.75 1.64 0.97 1.03 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 0.00 117 H 8.22 4.65 0.00 3.16 3.27 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.45 4.66 1.25 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 0.00 0.00 119 E 8.14 4.21 0.00 1.99 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 2.30 2.36 0.00 120 S 7.68 5.15 0.00 3.97 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 0.00 121 A 8.70 4.05 1.26 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 0.00 0.00 122 T 8.99 3.11 4.11 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 1.20 0.00 0.00 123 H 8.52 3.92 0.00 3.35 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.37 4.37 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 1.38 0.00 0.00 125 V 8.15 3.99 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 0.58 0.00 0.00 1.13 0.00 0.00 126 R 8.20 4.63 0.00 2.11 2.03 0.00 3.64 0.00 0.00 3.44 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 127 G 8.33 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 0.00 128 V 7.87 4.98 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 0.85 0.00 0.00 0.94 0.00 0.00 129 F 9.81 5.09 0.00 2.93 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 0.00 130 I 8.75 4.68 1.95 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 1.17 0.69 1.13 0.00 0.00 131 V 8.08 4.64 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.36 0.00 0.00 132 D 8.33 3.37 0.00 1.58 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 0.00 133 A 7.01 4.32 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 0.00 134 R 7.81 4.26 0.00 1.80 1.92 0.00 3.18 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 135 G 8.79 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 0.00 0.00 0.00 136 V 7.83 4.56 2.27 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 1.08 0.00 0.00 0.89 0.00 0.00 137 I 8.58 4.32 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 1.07 0.00 0.00 138 R 8.93 4.50 0.00 1.67 1.99 0.00 3.32 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 139 T 7.41 4.31 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 1.23 0.00 0.00 *141 L 8.22 4.23 0.00 1.64 1.87 1.01 0.80 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 0.00 142 Y 8.62 5.17 0.00 2.86 2.91 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 0.00 143 Y 8.80 4.57 0.00 2.80 3.12 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 0.00 0.00 0.00 0.00 144 P 0.00 4.92 0.00 2.52 1.28 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 *146 E 8.94 4.20 0.00 2.16 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 0.00 2.22 2.28 0.00 147 L 7.85 4.63 0.00 1.69 1.76 1.18 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.59 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.72 3.29 0.00 1.26 1.31 0.00 2.91 0.00 0.00 2.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 150 L 7.67 4.35 0.00 1.68 1.53 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.84 3.26 1.70 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 0.38 0.00 0.00 0.08 0.00 0.00 152 D 7.86 4.11 0.00 2.64 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 0.00 153 E 8.02 4.01 0.00 2.11 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 0.00 2.36 2.42 0.00 154 I 7.48 3.80 2.08 0.00 0.00 0.77 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 0.35 1.09 0.00 0.00 155 L 7.34 3.47 0.00 0.97 0.13 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.76 4.15 0.00 2.01 2.25 0.00 3.48 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 157 I 7.79 3.71 2.07 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 1.45 0.86 0.97 0.00 0.00 158 V 7.71 3.40 1.91 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 0.40 0.00 0.00 1.07 0.00 0.00 159 K 8.52 3.74 0.00 2.09 2.17 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.64 7.81 160 A 8.60 3.65 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 0.00 161 L 8.00 3.98 0.00 2.14 1.84 0.97 0.87 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 0.00 162 K 7.91 4.03 0.00 1.85 1.71 0.00 0.78 0.00 0.00 1.23 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.04 0.54 7.81 163 L 7.85 4.00 0.00 1.72 1.48 0.80 0.72 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 0.00 164 G 8.29 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 0.00 165 D 8.40 4.44 0.00 2.97 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 0.00 166 S 8.12 4.28 0.00 4.03 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 0.00 167 L 8.17 4.24 0.00 1.65 1.74 0.90 0.86 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 0.00 168 K 7.31 3.90 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 169 R 8.30 4.89 0.00 1.56 1.77 0.00 3.29 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 170 A 9.06 4.66 1.17 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 0.00 0.00 0.00 171 V 7.92 4.40 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 0.50 0.00 0.00 0.62 0.00 0.00 172 P 0.00 4.39 0.00 2.29 2.15 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 173 A 8.42 4.18 1.28 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 0.00 0.00 174 D 8.98 4.43 0.00 2.88 2.74 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 0.00 0.00 0.00 0.00 175 W 7.98 4.40 0.00 3.48 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 0.00 176 P 0.00 3.13 0.00 1.17 0.49 0.00 3.38 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 0.00 177 N 7.80 4.87 0.00 2.53 2.70 0.00 0.00 6.78 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 0.00 178 N 7.81 4.39 0.00 2.93 2.84 0.00 0.00 7.28 8.64 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 0.00 179 E 8.74 3.95 0.00 1.97 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 2.30 0.00 180 I 7.79 3.84 1.79 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 0.45 0.69 0.00 0.00 181 I 7.29 3.69 0.56 0.00 0.00 0.67 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 0.49 -0.48 0.00 0.00 182 G 7.77 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 0.00 183 E 9.10 4.28 0.00 2.15 1.85 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 2.23 2.37 0.00 184 G 8.10 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 0.00 0.00 0.00 0.00 185 L 8.83 4.88 0.00 1.57 1.46 0.77 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 186 I 8.44 4.63 1.94 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 1.13 0.55 0.90 0.00 0.00 187 V 8.50 4.12 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 0.85 0.00 0.00 0.15 0.00 0.00 188 P 0.00 4.31 0.00 2.13 2.03 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 189 P 0.00 4.55 0.00 2.18 2.19 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 190 P 0.00 4.55 0.00 2.33 2.07 0.00 4.12 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 191 T 8.58 4.72 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 1.35 0.00 0.00 192 T 7.42 4.70 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 1.22 0.00 0.00 193 E 8.60 3.65 0.00 1.97 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 2.21 2.27 0.00 194 D 7.98 4.33 0.00 2.70 2.68 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 0.00 195 Q 8.15 3.99 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 196 A 7.87 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 R 7.65 3.94 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 198 A 7.94 4.15 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 0.00 199 R 7.49 4.26 0.00 2.10 2.24 0.00 3.62 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 *201 E 7.94 4.04 0.00 2.29 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 2.21 2.37 0.00 202 S 8.39 5.11 0.00 3.90 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 0.00 203 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 10.70 3.81 0.00 1.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.61 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 205 Y 7.52 4.60 0.00 2.46 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.19 3.27 0.00 0.67 1.13 0.00 2.99 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 207 C 8.43 5.41 0.00 2.76 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 0.00 208 L 8.51 3.87 0.00 0.80 1.29 -0.01 0.75 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 0.00 209 D 6.95 4.30 0.00 1.99 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 0.00 210 W 8.68 4.36 0.00 3.63 3.27 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 0.00 211 W 6.57 4.75 0.00 3.27 2.32 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 0.00 212 F 7.51 4.73 0.00 1.57 2.09 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 0.00 213 C 8.25 5.91 0.00 2.96 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 0.00 214 W 8.59 5.56 0.00 3.56 3.06 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 0.00 0.00 0.00 215 D 8.87 4.56 0.00 2.79 2.71 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 0.00 216 T 8.13 4.87 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 1.47 0.00 0.00 217 P 0.00 4.44 0.00 2.23 2.25 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 218 A 7.83 4.25 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 0.00 219 S 8.43 4.45 0.00 4.08 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 0.00 220 R 8.45 3.87 0.00 1.90 1.97 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 221 D 8.04 4.31 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 D 8.09 4.34 0.00 2.94 2.82 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 0.00 223 V 7.88 3.51 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 0.91 0.00 0.00 1.08 0.00 0.00 224 E 8.37 3.76 0.00 2.18 1.83 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 2.22 2.39 0.00 225 E 8.05 3.56 0.00 2.03 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 1.88 2.02 0.00 226 A 7.56 3.47 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 0.00 227 R 7.89 3.84 0.00 1.86 1.83 0.00 2.95 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 228 R 7.80 3.99 0.00 1.78 1.91 0.00 3.04 0.00 0.00 2.97 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 229 Y 7.25 4.30 0.00 2.99 2.74 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 0.00 0.00 0.00 0.00 230 L 7.57 3.99 0.00 1.90 1.68 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 231 R 7.94 3.90 0.00 1.96 1.95 0.00 3.08 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 232 R 8.10 3.81 0.00 1.88 2.29 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 233 A 7.97 4.06 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 0.00 234 A 7.76 4.21 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 0.00 235 E 7.33 4.13 0.00 2.14 1.84 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 2.30 2.23 0.00 236 K 8.49 4.13 0.00 1.75 1.71 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.43 7.81 237 P 0.00 4.18 0.00 2.22 2.07 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 238 A 8.56 4.60 1.28 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 0.00 0.00 239 K 7.51 4.17 0.00 1.67 1.76 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.43 7.81 240 L 8.06 3.56 0.00 1.86 1.77 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 241 L 8.41 4.17 0.00 1.66 1.62 0.95 0.91 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 * Residues marked with a * may have inaccurate shift predictions.