NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0682 7.9133 120.3898 62.8365 33.9502 177.7061 8 K 3.8600 8.0821 119.2956 59.2696 32.0351 175.2681 9 E 4.3180 9.0017 120.4754 59.4601 29.5691 179.1590 10 L 4.0052 7.8310 117.9944 58.4951 42.0945 178.8549 11 L 4.0831 7.6304 118.0993 57.4075 41.3764 178.7348 12 E 3.8768 8.7625 117.4950 60.0653 29.5273 179.3082 13 A 3.5932 8.1880 122.3017 55.4925 18.4898 179.2620 14 G 3.8966 7.3627 102.6374 46.9486 0.0000 174.9456 15 V 4.6486 7.2559 110.7973 59.6141 33.7026 174.4025 16 H 4.8505 8.6310 110.9900 56.4587 31.8777 173.6638 17 F 4.9443 8.5942 115.1974 55.4588 40.7353 174.2379 18 G 3.4575 8.6707 103.4337 47.1466 0.0000 170.9874 19 H 4.8024 7.8544 128.3684 56.7092 32.4095 173.9703 20 E 3.6714 7.5727 114.1511 50.7792 30.6877 175.3908 21 R 4.8925 8.2694 119.6898 55.2197 31.9239 176.4598 22 K 3.8088 9.2233 121.0400 57.0913 30.5451 175.5165 23 R 4.6557 7.9658 118.5291 55.8089 30.6002 178.0707 24 W 4.4339 8.2184 115.9743 56.4926 28.7524 175.1934 25 N 3.5673 7.9264 112.4072 52.2093 40.3283 173.8414 26 P 2.9700 0.0000 0.0000 65.1317 31.0527 177.7956 27 K 3.9126 8.0360 117.5900 58.3497 32.1530 176.7218 28 F 4.6484 7.7754 121.5794 57.8774 39.8003 176.6849 29 A 4.4367 7.8409 124.7063 54.6318 19.3498 180.4647 30 R 3.8613 7.6504 110.1662 58.5531 29.7712 176.2975 31 Y 4.9107 6.6907 116.3310 55.4699 37.2746 175.1733 32 I 4.4365 7.1534 116.6837 60.5757 41.6394 172.8509 33 Y 4.2791 9.2383 129.4211 58.5269 39.4465 174.9199 34 A 4.1942 7.0782 118.9381 52.2691 22.7782 174.1065 35 E 5.2245 7.9920 116.0752 53.7685 29.8339 174.4232 36 R 4.0374 8.2149 125.4262 55.9991 30.9592 175.7336 37 N 4.3019 10.0981 121.5837 54.4566 37.7659 173.2073 38 G 4.1628 8.3439 106.9348 47.0323 0.0000 175.4624 39 I 3.8280 7.9282 120.3669 61.2310 37.3811 174.6340 40 H 4.7495 8.4476 120.5025 55.5554 30.0139 174.6021 41 I 4.2621 9.2693 126.8614 59.1864 37.9976 175.1806 42 I 4.1717 8.3915 127.3240 61.0417 38.8915 174.8245 43 D 4.7089 8.7489 127.1012 53.7844 41.5922 176.7385 44 L 4.2020 8.7120 127.6033 57.8902 41.4749 178.7473 45 Q 3.9646 8.2441 119.0756 59.3429 28.7016 178.7087 46 K 4.2649 7.9957 118.0578 58.8407 31.6868 179.2193 47 T 3.8679 8.2032 116.6640 66.5681 68.1441 175.9895 48 M 4.0564 8.0546 119.9959 58.7571 31.9357 177.7454 49 E 3.7727 7.8834 118.5195 59.2641 29.6727 179.1632 50 E 4.2555 8.0591 117.9928 58.5028 30.2012 178.3480 51 L 3.9905 9.2586 119.2662 58.4495 41.6249 178.2161 52 E 4.1046 9.3602 120.1448 58.6680 29.1495 178.3147 53 R 3.9454 7.9276 119.9569 60.1686 30.5958 178.7999 54 T 3.9759 8.0719 115.0393 66.7450 68.5022 176.4292 55 F 4.2153 8.1250 119.4055 60.9072 39.1713 177.7827 56 R 4.0383 8.7279 117.8814 59.3720 29.5828 178.3975 57 F 4.2876 8.0272 119.3298 60.4226 39.7806 177.4916 58 I 3.4796 7.4729 118.9340 64.2390 36.9805 177.3094 59 E 3.9392 8.6963 120.2500 59.6353 29.1730 179.7221 60 D 4.7806 7.3206 114.1404 54.1565 41.8854 176.3462 61 L 4.3672 8.1957 118.8555 55.9426 45.5306 177.8820 62 A 3.9551 8.6923 122.1121 55.2889 18.2785 178.5437 63 M 4.5639 7.8760 109.8214 55.6968 31.7798 176.5270 64 R 4.4207 7.7785 115.7907 55.4919 30.3488 176.3981 65 G 4.0002 7.6044 103.3909 47.3552 0.0000 174.1895 66 G 4.1371 7.4307 104.3846 43.6974 0.0000 171.3557 67 T 4.4014 8.4029 113.5951 61.3101 70.8744 173.4072 68 I 4.9803 8.2257 122.9697 59.5240 40.5141 174.5516 69 L 4.7978 8.6541 129.7170 54.3984 43.3795 175.2318 70 F 5.2230 9.4536 125.6787 56.4967 41.3188 175.1599 71 V 4.8266 8.7585 122.4245 61.3192 34.6299 174.4734 72 G 4.4827 8.7837 111.5810 45.9301 0.0000 173.6779 73 T 5.0753 9.3512 113.2107 59.5574 70.1292 173.6507 74 K 4.4176 7.7603 122.5406 55.4043 33.9483 177.5974 75 K 3.7297 8.6676 123.7686 59.0973 32.2330 177.2391 76 Q 4.2581 8.0197 115.1806 57.2987 28.9762 176.8212 77 A 4.5914 8.4633 120.4867 52.6194 19.8848 177.8922 78 Q 4.2135 7.9647 119.1807 60.1772 29.7637 178.1924 79 D 4.3925 8.2660 117.1045 57.7636 41.0749 179.2864 80 I 3.8009 7.8186 106.6100 61.9405 37.3868 176.1344 81 V 4.1831 8.1821 122.1814 64.0180 33.5640 177.5192 82 R 3.3769 7.6772 119.5594 60.2040 29.6919 177.3087 83 M 4.3393 7.9021 120.0984 56.4873 32.0161 177.4755 84 E 3.9600 8.0119 120.1177 58.7304 30.0469 179.1144 85 A 3.6903 7.2247 120.6565 54.5472 19.4299 179.3586 86 E 3.8600 7.4139 116.8786 59.1177 29.2041 178.6250 87 R 4.3485 8.0666 116.3428 56.4747 30.1658 176.2427 88 A 4.4541 7.0607 115.9510 50.6054 21.2876 176.2702 89 G 3.9943 8.0850 103.9055 47.1529 0.0000 173.5970 90 M 4.9530 7.5042 115.2105 52.3002 36.1932 174.6183 91 P 4.9680 0.0000 0.0000 63.5280 32.7764 174.7713 92 Y 5.6208 8.2722 119.7368 56.2559 41.9177 174.4218 93 V 4.2487 9.4193 119.3888 61.6971 33.9469 175.0503 94 N 4.9515 8.9149 126.4235 54.3263 40.5088 174.3779 95 Q 4.6314 7.7185 120.2201 55.4297 29.6676 176.0297 96 R 3.9818 8.2784 123.2598 56.7483 29.5319 176.8095 97 W 4.2449 8.4840 134.6943 56.6163 28.1965 175.1845 98 L 3.7546 7.4769 121.6493 54.1570 42.2132 177.5818 99 G 3.6123 8.2687 110.0985 45.4632 0.0000 173.6815 100 G 3.9935 10.0415 105.7487 46.2948 0.0000 175.2603 101 M 3.7484 7.2365 120.1686 58.2803 31.8670 178.6596 102 L 4.2924 7.9653 116.4510 57.7128 42.6254 178.1266 103 T 4.0251 8.7099 115.1963 66.2874 69.3937 174.7003 104 N 5.1442 8.5983 120.2763 52.4484 37.9255 174.3654 105 F 4.9273 7.8432 126.3083 60.6429 39.8900 175.9770 106 K 3.8395 7.6387 120.5477 58.8916 32.7651 177.5808 107 T 4.6356 7.5049 110.3020 63.1264 69.7866 176.7809 108 I 3.6885 7.4500 122.4947 64.0165 37.0784 178.4300 109 S 3.9967 8.1973 116.3410 61.7114 62.4653 176.6266 110 Q 4.0617 7.8253 120.0450 58.4875 28.3496 179.0288 111 R 4.0432 8.1193 119.6746 58.4871 30.1628 178.8836 112 V 3.5555 7.7687 118.6430 66.4352 31.1434 177.3763 113 H 4.6214 8.3199 113.3247 56.8898 28.4896 176.2471 114 R 4.4652 7.8277 120.1033 56.7739 30.9553 177.6805 115 L 3.9665 7.9805 120.9850 57.9453 41.9278 178.1355 116 E 4.1306 8.0355 115.9607 58.2188 29.7863 178.2624 117 E 4.0246 7.4783 116.0004 58.4906 29.3318 177.8960 118 L 4.5732 7.3174 117.5474 55.5322 42.8376 178.2408 119 E 3.7405 8.3095 119.0851 59.0896 29.6496 178.1649 120 A 4.3856 7.8647 120.1853 53.7942 18.7067 177.7017 121 L 4.3924 7.2428 117.3898 56.4023 42.8778 177.8557 122 F 4.7224 7.8482 117.3272 58.6242 39.8791 175.3611 123 A 3.8722 7.9766 132.7095 52.3816 17.3639 176.3611 124 S 4.5035 7.5102 112.8385 58.0783 65.1829 174.3171 125 P 4.5796 0.0000 0.0000 63.2529 31.1290 177.3083 126 E 4.2789 7.9291 118.7320 58.1384 29.7893 177.9722 127 I 4.0804 7.4549 118.3206 62.1027 37.8104 176.2452 128 E 4.0445 7.5382 119.8329 58.5050 30.1393 176.9707 129 E 4.5321 7.4073 118.3820 55.1378 30.0312 173.3446 130 R 3.6928 8.8148 131.5101 55.8456 28.5367 174.2144 131 P 4.3853 0.0000 0.0000 62.4401 31.7050 177.1854 132 K 3.9234 8.6262 119.1108 59.3765 31.8042 178.4474 133 K 3.9510 8.0274 118.6291 59.8868 32.0993 178.6608 134 E 4.1168 8.1651 118.1072 58.8711 29.5344 179.7002 135 Q 3.9706 7.9379 118.4046 58.9028 29.0033 178.3041 136 V 3.6275 7.5689 119.0831 66.2362 31.5338 177.6310 137 R 3.9228 8.1363 118.7785 59.1617 29.9939 178.2676 138 L 4.2138 8.7238 119.0986 57.9705 41.7319 179.6737 139 K 3.9790 8.0640 118.1820 59.3442 31.9448 178.3469 140 H 3.9385 8.3493 118.2752 59.7513 29.8840 176.7142 141 E 3.8771 8.7168 120.9945 59.3507 29.3083 178.5821 142 L 4.0093 7.9412 120.3096 57.7769 42.0892 178.5255 143 E 3.8754 8.5731 119.3295 59.3709 29.4153 179.5746 144 R 3.4788 8.1454 115.9574 59.2100 29.3833 178.2792 145 L 3.8096 7.2489 119.9707 57.7887 42.4516 178.5614 146 Q 4.0250 8.2399 119.2034 59.1313 28.8475 177.7318 147 K 3.7286 7.8168 119.5301 59.8820 32.1567 177.2815 148 Y 4.8145 7.7654 114.2200 58.4555 38.1589 176.3392 149 L 4.8722 7.4746 119.2448 54.4100 42.4846 178.6781 150 S 4.0192 8.4864 117.8243 60.9837 63.0530 175.5431 151 G 3.0891 7.6013 106.0053 44.9181 0.0000 173.1279 152 F 4.6232 7.5113 121.3493 58.3258 39.8056 176.3074 153 R 3.9354 7.7874 117.6652 53.8278 31.3916 181.1317 154 L 3.3877 8.4294 120.8122 56.0568 42.8789 177.9465 155 L 4.2737 8.8220 127.0365 55.0821 42.6705 177.4293 156 K 4.6483 8.4115 126.6424 54.9181 31.5871 176.2403 157 R 4.4738 7.0596 116.4791 54.6701 33.2978 173.9681 158 L 3.7057 8.2357 122.9422 54.1900 41.4690 175.3243 159 P 4.1294 0.0000 0.0000 62.6514 31.5739 176.9982 160 D 4.4629 8.5313 122.3796 56.6999 41.4639 175.4752 161 A 4.8629 7.6324 119.1424 51.6078 23.8209 174.8999 162 I 4.9568 8.3976 111.1877 59.7338 41.2382 173.9064 163 F 5.6079 8.7037 128.4774 55.8925 41.3757 174.4949 164 V 4.7182 7.1570 123.9318 61.8368 35.3450 174.9811 165 V 3.8161 8.3549 121.5485 62.0868 32.2072 179.0261 166 D 4.4153 9.3460 135.0000 53.5107 40.5467 173.5819 167 P 4.1313 0.0000 0.0000 65.6863 31.1320 178.2979 168 T 3.8541 7.7788 108.4016 64.3402 68.8611 175.9698 169 K 4.0045 7.8851 122.6750 58.2423 33.1097 178.4719 170 E 4.3997 7.6739 118.0182 56.0497 29.6787 178.1726 171 A 4.0407 7.6213 124.1337 54.4044 18.7495 179.0572 172 I 3.6143 7.7693 117.9187 64.8841 37.2071 177.6458 173 A 2.5800 7.2299 120.3338 54.7179 17.8352 179.3246 174 V 3.3210 7.3236 115.9258 66.2722 31.3445 178.3224 175 R 3.7652 8.4932 118.4719 59.3987 30.1336 177.8898 176 E 4.2775 8.3896 119.4271 58.9418 29.6492 179.4412 177 A 4.0369 8.0470 120.1577 55.3689 18.2911 179.6942 178 R 3.7099 8.0919 117.3503 59.2749 29.9392 178.4557 179 K 3.9700 8.7332 118.6276 58.1013 32.3267 177.6604 180 L 4.6284 7.4668 116.5951 54.0453 42.2422 176.9752 181 F 3.6908 7.4906 116.8146 57.4720 37.1361 174.8061 182 I 3.9873 7.7609 122.7214 60.5978 37.4294 174.4253 183 P 4.3329 0.0000 0.0000 63.2311 32.8206 175.3347 184 V 4.8799 8.3819 122.4534 61.0407 34.4459 173.9442 185 I 5.5864 9.1293 121.2993 58.7529 40.5333 174.3813 186 A 4.0647 7.9999 123.1922 51.3651 22.5170 175.2211 187 L 5.3687 9.0423 123.8425 53.0465 41.5456 175.4614 188 A 4.7324 8.1788 126.7578 49.6795 21.9041 175.1546 189 D 5.0739 7.9966 119.2351 53.1103 40.1028 177.5463 190 T 3.3318 8.1650 104.7156 63.9836 69.3133 176.1927 191 D 4.4005 7.8440 120.4130 55.8122 41.4770 175.7591 192 S 4.5909 6.8696 113.2611 56.5068 65.6672 173.2288 193 D 4.5286 8.4266 124.2432 51.6116 39.1838 173.8710 194 P 4.1697 0.0000 0.0000 65.3868 31.5614 180.1881 195 D 4.0848 6.9218 119.8046 55.8855 41.8595 178.0127 196 L 4.3155 7.5773 116.1965 55.7672 40.6569 176.2087 197 V 4.2318 7.6348 119.2503 61.6276 33.4735 174.7830 198 D 4.1370 8.7481 127.4512 57.1018 41.1626 176.0868 199 Y 4.6970 8.3116 117.0207 56.1558 40.7185 174.4172 200 I 4.5629 8.5328 125.2885 59.7229 39.4824 175.7483 201 I 4.3033 8.8612 129.5469 58.8802 38.0316 172.4787 202 P 5.1488 0.0000 0.0000 62.9132 31.1947 175.5694 203 G 4.0641 8.9787 111.8821 45.7773 0.0000 170.2393 204 N 4.1773 8.7966 118.1908 53.4148 39.6461 173.6109 205 D 4.8522 8.1651 120.8798 53.0476 40.5237 174.8938 206 D 4.5289 7.7629 116.7263 56.0592 43.3993 175.7877 207 A 4.0369 7.7607 120.9662 52.3992 18.7837 178.4025 208 I 3.8262 8.4522 123.8557 64.1497 37.0232 177.7005 209 R 3.9240 7.8413 119.7473 59.5657 29.2708 178.3460 210 S 4.2986 8.0370 113.3304 61.5465 62.7098 176.9340 211 I 3.7636 7.6872 122.3078 64.4671 36.9972 177.9700 212 Q 3.9805 7.9080 120.3442 58.9769 28.6531 177.8283 213 L 4.2912 7.7880 120.2368 57.2126 41.9914 177.9195 214 I 4.4733 7.5202 117.9483 61.9963 38.4635 177.9360 215 L 4.1273 8.1631 120.3392 58.5150 41.5849 178.2222 216 S 4.8855 8.6164 113.8770 61.4855 61.9656 175.5156 217 R 4.0969 7.9938 120.1981 57.8427 30.2373 178.4435 218 A 4.6586 7.6180 121.4489 54.9845 18.7608 179.7800 219 V 3.6725 8.0132 116.4414 65.5244 31.6228 178.1241 220 D 4.3067 8.5928 119.5353 57.3033 40.5961 178.1229 221 L 4.0858 7.4353 118.5127 56.9325 41.8682 178.7140 222 I 3.8481 7.4327 119.7679 65.0861 37.2232 178.2450 223 I 3.8972 7.4784 119.4033 63.8055 37.2581 177.9581 224 Q 4.2249 7.8110 118.4429 56.3754 28.0377 175.5678 225 A 4.7938 7.4896 116.3638 50.9533 19.6819 177.6096 226 R 4.5157 8.2179 117.6110 57.2133 35.0774 174.9257 227 G 3.9888 7.5066 106.5626 46.5219 0.0000 171.9235 228 G 3.2996 8.9734 111.8141 44.6373 0.0000 173.9572 229 V 3.4456 7.9085 120.1944 63.4059 31.6268 175.2063 230 V 4.5956 8.0177 120.7865 59.3916 34.7533 174.6375 231 E 4.3461 8.3742 118.2175 54.8676 30.7319 173.7332 232 P 4.3527 0.0000 0.0000 63.0023 31.7692 175.6607 233 S 4.7482 8.1073 113.5265 55.3313 65.1298 172.0239 234 P 4.2539 0.0000 0.0000 63.8714 30.9461 174.8677 235 S 4.5192 8.6221 115.5803 59.7476 67.1747 173.9680 236 Y 4.2587 8.0724 118.6297 57.0289 38.1105 174.6001 237 A 4.7855 8.5360 124.7740 53.4302 25.3156 177.2581 238 L 4.4294 7.6702 112.1327 56.7556 41.5526 176.4470 239 V 3.8082 7.8119 120.8035 63.8754 29.4507 175.6152 240 Q 3.3992 8.3240 128.5424 57.0712 28.2819 173.5893 *241 E 4.1630 8.8325 114.7374 56.1556 30.4602 178.0416 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 7 V 7.91 4.07 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 0.95 0.00 0.00 0.91 0.00 0.00 8 K 8.08 3.86 0.00 1.89 2.00 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.54 7.81 9 E 9.00 4.32 0.00 1.93 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 2.40 2.23 0.00 10 L 7.83 4.01 0.00 1.60 1.72 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.63 4.08 0.00 1.96 1.56 0.92 0.85 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 12 E 8.76 3.88 0.00 2.03 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 2.38 2.47 0.00 13 A 8.19 3.59 1.11 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 14 G 7.36 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 15 V 7.26 4.65 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 0.68 0.00 0.00 0.84 0.00 0.00 16 H 8.63 4.85 0.00 3.20 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.59 4.94 0.00 3.18 2.96 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 18 G 8.67 3.46 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 0.00 19 H 7.85 4.80 0.00 3.06 2.72 0.00 5.98 0.00 0.00 0.00 0.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.57 3.67 0.00 1.94 1.80 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 2.46 2.37 0.00 21 R 8.27 4.89 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 22 K 9.22 3.81 0.00 1.92 1.94 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.57 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.28 7.81 23 R 7.97 4.66 0.00 1.78 1.92 0.00 3.26 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 24 W 8.22 4.43 0.00 3.45 2.83 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 25 N 7.93 3.57 0.00 2.44 2.61 0.00 0.00 6.66 7.71 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 26 P 0.00 2.97 0.00 1.92 1.78 0.00 3.28 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 27 K 8.04 3.91 0.00 1.79 1.85 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.23 7.81 28 F 7.78 4.65 0.00 2.95 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 29 A 7.84 4.44 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 30 R 7.65 3.86 0.00 1.65 1.85 0.00 2.52 0.00 0.00 2.90 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 31 Y 6.69 4.91 0.00 1.73 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 0.00 0.00 0.00 0.00 32 I 7.15 4.44 2.07 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 1.03 0.00 0.00 33 Y 9.24 4.28 0.00 2.96 3.17 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 34 A 7.08 4.19 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 35 E 7.99 5.22 0.00 1.68 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 2.14 2.15 0.00 36 R 8.21 4.04 0.00 1.96 1.80 0.00 3.55 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 37 N 10.10 4.30 0.00 2.86 2.82 0.00 0.00 7.39 7.98 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 38 G 8.34 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.93 3.83 1.90 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 1.25 0.54 0.87 0.00 0.00 40 H 8.45 4.75 0.00 3.60 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.27 4.26 2.08 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 1.14 0.27 1.15 0.00 0.00 42 I 8.39 4.17 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 1.06 0.00 0.00 43 D 8.75 4.71 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 44 L 8.71 4.20 0.00 1.76 1.71 0.93 0.69 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 45 Q 8.24 3.96 0.00 2.12 2.48 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 2.48 2.51 0.00 46 K 8.00 4.26 0.00 2.00 1.89 0.00 1.98 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.71 7.81 47 T 8.20 3.87 4.38 0.00 0.00 0.00 0.00 0.00 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 48 M 8.05 4.06 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 49 E 7.88 3.77 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 50 E 8.06 4.26 0.00 2.10 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 0.00 2.24 2.20 0.00 51 L 9.26 3.99 0.00 2.08 1.94 1.08 0.84 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 52 E 9.36 4.10 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 53 R 7.93 3.95 0.00 1.95 2.06 0.00 3.42 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 54 T 8.07 3.98 4.16 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 0.00 0.00 1.19 0.00 0.00 55 F 8.13 4.22 0.00 3.26 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 56 R 8.73 4.04 0.00 1.97 2.07 0.00 3.31 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 57 F 8.03 4.29 0.00 2.13 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 58 I 7.47 3.48 2.02 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 1.62 0.77 0.86 0.00 0.00 59 E 8.70 3.94 0.00 2.02 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 2.28 2.32 0.00 60 D 7.32 4.78 0.00 2.81 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 61 L 8.20 4.37 0.00 1.20 1.41 0.82 0.56 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 62 A 8.69 3.96 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 63 M 7.88 4.56 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 64 R 7.78 4.42 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 65 G 7.60 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 66 G 7.43 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 0.00 0.00 0.00 67 T 8.40 4.40 4.30 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 1.24 0.00 0.00 68 I 8.23 4.98 1.95 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 1.18 0.56 0.52 0.00 0.00 69 L 8.65 4.80 0.00 1.85 1.66 1.28 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.45 5.22 0.00 3.31 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 71 V 8.76 4.83 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 0.81 0.00 0.00 0.95 0.00 0.00 72 G 8.78 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 9.35 5.08 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 1.40 0.00 0.00 74 K 7.76 4.42 0.00 1.95 1.97 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.50 7.81 75 K 8.67 3.73 0.00 1.75 1.90 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.43 7.81 76 Q 8.02 4.26 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 77 A 8.46 4.59 1.22 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 0.00 0.00 78 Q 7.96 4.21 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 79 D 8.27 4.39 0.00 2.70 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 80 I 7.82 3.80 1.86 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 1.31 0.54 0.88 0.00 0.00 81 V 8.18 4.18 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 1.11 0.00 0.00 1.12 0.00 0.00 82 R 7.68 3.38 0.00 1.89 1.96 0.00 3.26 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 83 M 7.90 4.34 0.00 2.00 1.89 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 2.77 2.50 0.00 84 E 8.01 3.96 0.00 1.77 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 0.00 2.34 2.31 0.00 85 A 7.22 3.69 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 86 E 7.41 3.86 0.00 1.95 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 2.28 2.08 0.00 87 R 8.07 4.35 0.00 1.84 1.82 0.00 3.31 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 88 A 7.06 4.45 1.22 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 0.00 0.00 89 G 8.08 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 90 M 7.50 4.95 0.00 2.41 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 91 P 0.00 4.97 0.00 2.24 2.05 0.00 3.91 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 92 Y 8.27 5.62 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.42 4.25 2.41 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 1.12 0.00 0.00 1.13 0.00 0.00 94 N 8.91 4.95 0.00 3.18 2.95 0.00 0.00 7.67 7.12 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 95 Q 7.72 4.63 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.81 0.00 96 R 8.28 3.98 0.00 1.36 1.71 0.00 3.24 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 97 W 8.48 4.24 0.00 3.19 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 98 L 7.48 3.75 0.00 1.19 1.30 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.27 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 10.04 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 0.00 101 M 7.24 3.75 0.00 1.41 1.03 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 102 L 7.97 4.29 0.00 1.82 1.83 1.42 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.71 4.03 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 1.27 0.00 0.00 104 N 8.60 5.14 0.00 2.75 2.82 0.00 0.00 6.86 7.73 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 0.00 105 F 7.84 4.93 0.00 3.39 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 0.00 106 K 7.64 3.84 0.00 1.81 1.83 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.49 7.81 107 T 7.50 4.64 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 1.30 0.00 0.00 108 I 7.45 3.69 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.73 0.89 0.00 0.00 109 S 8.20 4.00 0.00 3.57 3.55 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 0.00 110 Q 7.83 4.06 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 111 R 8.12 4.04 0.00 2.09 1.99 0.00 3.31 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 112 V 7.77 3.56 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 0.97 0.00 0.00 1.02 0.00 0.00 113 H 8.32 4.62 0.00 3.25 3.31 0.00 5.83 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.83 4.47 0.00 1.92 2.02 0.00 3.35 0.00 0.00 3.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 115 L 7.98 3.97 0.00 1.79 1.78 0.88 0.86 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 0.00 116 E 8.04 4.13 0.00 2.21 2.15 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 2.49 2.36 0.00 117 E 7.48 4.02 0.00 2.06 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 0.00 2.48 2.50 0.00 118 L 7.32 4.57 0.00 1.82 1.72 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.31 3.74 0.00 2.16 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 2.30 2.36 0.00 120 A 7.86 4.39 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 0.00 121 L 7.24 4.39 0.00 1.75 1.69 0.96 0.71 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 0.00 122 F 7.85 4.72 0.00 3.18 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 0.00 123 A 7.98 3.87 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 0.00 124 S 7.51 4.50 0.00 3.93 3.65 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 0.00 125 P 0.00 4.58 0.00 2.24 2.23 0.00 3.72 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 2.04 1.96 0.00 126 E 7.93 4.28 0.00 2.04 2.01 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 2.38 2.31 0.00 127 I 7.45 4.08 1.80 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 1.49 0.65 0.87 0.00 0.00 128 E 7.54 4.04 0.00 1.99 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 2.32 2.34 0.00 129 E 7.41 4.53 0.00 2.14 1.75 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 2.25 2.24 0.00 130 R 8.81 3.69 0.00 1.95 1.97 0.00 3.39 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 131 P 0.00 4.39 0.00 2.21 2.20 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 132 K 8.63 3.92 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 133 K 8.03 3.95 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.47 7.81 134 E 8.17 4.12 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 135 Q 7.94 3.97 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 136 V 7.57 3.63 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 0.96 0.00 0.00 1.02 0.00 0.00 137 R 8.14 3.92 0.00 2.11 1.86 0.00 3.33 0.00 0.00 3.18 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 138 L 8.72 4.21 0.00 1.76 1.75 0.94 0.77 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 0.00 139 K 8.06 3.98 0.00 2.15 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.64 7.81 140 H 8.35 3.94 0.00 3.49 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.72 3.88 0.00 2.03 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 0.00 2.31 2.33 0.00 142 L 7.94 4.01 0.00 1.90 1.78 0.90 0.94 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 0.00 143 E 8.57 3.88 0.00 2.02 1.87 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 2.41 2.46 0.00 144 R 8.15 3.48 0.00 1.59 1.92 0.00 2.76 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 145 L 7.25 3.81 0.00 1.95 1.82 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.24 4.03 0.00 2.43 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.44 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 147 K 7.82 3.73 0.00 1.60 1.46 0.00 1.66 0.00 0.00 1.30 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.45 7.81 148 Y 7.77 4.81 0.00 2.93 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 0.00 149 L 7.47 4.87 0.00 1.94 1.70 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.49 4.02 0.00 3.89 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 0.00 151 G 7.60 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 0.00 0.00 0.00 152 F 7.51 4.62 0.00 2.73 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 0.00 153 R 7.79 3.94 0.00 1.81 1.68 0.00 3.45 0.00 0.00 3.23 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 154 L 8.43 3.39 0.00 1.72 1.07 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.82 4.27 0.00 1.62 1.59 0.93 0.86 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 0.00 156 K 8.41 4.65 0.00 1.83 1.93 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.43 7.81 157 R 7.06 4.47 0.00 1.73 1.71 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 158 L 8.24 3.71 0.00 1.59 1.56 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.13 0.00 2.24 2.13 0.00 3.50 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 2.21 2.19 0.00 160 D 8.53 4.46 0.00 2.59 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 0.00 161 A 7.63 4.86 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 0.00 162 I 8.40 4.96 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.75 0.97 0.00 0.00 163 F 8.70 5.61 0.00 2.52 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 0.00 0.00 0.00 164 V 7.16 4.72 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 0.81 0.00 0.00 0.74 0.00 0.00 165 V 8.35 3.82 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 0.67 0.00 0.00 0.93 0.00 0.00 166 D 9.35 4.42 0.00 2.75 2.52 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 0.00 167 P 0.00 4.13 0.00 2.17 2.14 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 168 T 7.78 3.85 4.16 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 0.00 0.00 1.15 0.00 0.00 169 K 7.89 4.00 0.00 1.79 1.77 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.59 7.81 170 E 7.67 4.40 0.00 1.82 1.47 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 2.22 2.35 0.00 171 A 7.62 4.04 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 0.00 172 I 7.77 3.61 1.97 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 1.64 0.40 1.14 0.00 0.00 173 A 7.23 2.58 -0.29 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 0.00 0.00 0.00 174 V 7.32 3.32 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 0.93 0.00 0.00 0.82 0.00 0.00 175 R 8.49 3.77 0.00 1.91 2.12 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 176 E 8.39 4.28 0.00 2.39 2.23 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 2.56 2.89 0.00 177 A 8.05 4.04 1.29 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 0.00 0.00 0.00 178 R 8.09 3.71 0.00 2.04 1.93 0.00 2.90 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 179 K 8.73 3.97 0.00 1.73 1.96 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 180 L 7.47 4.63 0.00 1.76 1.77 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.49 3.69 0.00 3.19 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 0.00 182 I 7.76 3.99 2.00 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 1.29 0.54 1.01 0.00 0.00 183 P 0.00 4.33 0.00 2.36 2.10 0.00 3.85 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 184 V 8.38 4.88 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 0.90 0.00 0.00 185 I 9.13 5.59 2.28 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 1.53 2.01 1.19 0.00 0.00 186 A 8.00 4.06 0.98 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 0.00 187 L 9.04 5.37 0.00 1.41 1.41 0.97 1.16 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 0.00 188 A 8.18 4.73 1.13 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 0.00 189 D 8.00 5.07 0.00 2.68 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 0.00 190 T 8.16 3.33 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 1.58 0.00 0.00 191 D 7.84 4.40 0.00 2.82 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 0.00 192 S 6.87 4.59 0.00 3.66 3.56 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 0.00 193 D 8.43 4.53 0.00 2.70 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 0.00 194 P 0.00 4.17 0.00 2.33 2.61 0.00 3.78 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 195 D 6.92 4.08 0.00 2.81 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 0.00 196 L 7.58 4.32 0.00 1.63 1.66 0.87 0.42 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 0.00 197 V 7.63 4.23 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 0.81 0.00 0.00 0.84 0.00 0.00 198 D 8.75 4.14 0.00 2.29 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 0.00 0.00 0.00 0.00 199 Y 8.31 4.70 0.00 2.77 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 0.00 200 I 8.53 4.56 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.92 0.00 0.00 201 I 8.86 4.30 1.85 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 1.35 1.50 0.95 0.00 0.00 202 P 0.00 5.15 0.00 1.97 1.72 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 203 G 8.98 4.06 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 0.00 204 N 8.80 4.18 0.00 2.68 2.75 0.00 0.00 6.70 8.47 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 0.00 205 D 8.17 4.85 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 0.00 206 D 7.76 4.53 0.00 2.57 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 0.00 207 A 7.76 4.04 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 0.00 208 I 8.45 3.83 1.84 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 1.85 1.33 0.85 0.00 0.00 209 R 7.84 3.92 0.00 1.80 1.90 0.00 3.28 0.00 0.00 3.10 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 210 S 8.04 4.30 0.00 3.97 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 0.00 211 I 7.69 3.76 1.88 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 0.68 0.95 0.00 0.00 212 Q 7.91 3.98 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 213 L 7.79 4.29 0.00 1.62 1.82 0.50 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.52 4.47 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.15 1.11 0.00 0.00 215 L 8.16 4.13 0.00 1.91 1.76 1.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.62 4.89 0.00 4.05 3.78 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 0.00 217 R 7.99 4.10 0.00 1.97 1.87 0.00 3.28 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 218 A 7.62 4.66 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.67 2.29 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 0.99 0.00 0.00 0.85 0.00 0.00 220 D 8.59 4.31 0.00 2.71 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 0.00 221 L 7.44 4.09 0.00 1.59 1.73 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 222 I 7.43 3.85 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.33 0.92 0.00 0.00 223 I 7.48 3.90 1.85 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 1.16 1.10 0.89 0.00 0.00 224 Q 7.81 4.22 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 225 A 7.49 4.79 1.22 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 0.00 0.00 226 R 8.22 4.52 0.00 1.72 2.02 0.00 3.24 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 227 G 7.51 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 0.00 228 G 8.97 3.30 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 0.00 229 V 7.91 3.45 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 0.80 0.00 0.00 0.91 0.00 0.00 230 V 8.02 4.60 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 0.92 0.00 0.00 0.91 0.00 0.00 231 E 8.37 4.35 0.00 2.07 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 2.24 2.32 0.00 232 P 0.00 4.35 0.00 2.11 2.12 0.00 3.65 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 2.06 2.11 0.00 233 S 8.11 4.75 0.00 3.92 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 0.00 234 P 0.00 4.25 0.00 2.19 2.17 0.00 3.72 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 1.98 0.00 235 S 8.62 4.52 0.00 3.68 3.86 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 0.00 236 Y 8.07 4.26 0.00 2.94 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 0.00 237 A 8.54 4.79 1.27 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 0.00 0.00 238 L 7.67 4.43 0.00 1.73 1.71 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.81 3.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.79 0.00 0.00 240 Q 8.32 3.40 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 *241 E 8.83 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.