NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0350 8.0549 120.3866 62.6164 33.1374 176.4430 8 K 3.7408 8.2520 119.6957 57.4826 32.4682 175.6760 9 E 4.5404 9.3665 126.8305 59.4365 31.2552 177.2003 10 L 3.9771 7.8963 118.7801 57.4664 41.4757 178.8071 11 L 3.9435 7.7964 118.6277 58.0852 42.1622 178.3869 12 E 3.6951 8.2754 114.4406 58.5735 29.4013 179.0402 13 A 3.1355 6.5566 127.8864 55.6964 19.5687 180.3342 14 G 4.1447 7.3346 104.6291 47.6008 0.0000 174.8236 15 V 4.7088 7.3618 110.8913 60.8477 35.1506 172.8594 16 H 4.8899 8.3168 110.8631 56.5378 32.0059 173.8289 17 F 4.9524 8.8650 114.6806 55.3272 40.1161 174.4575 18 G 3.8142 8.4379 113.6999 45.7507 0.0000 174.0323 19 H 4.4133 8.3087 122.4411 56.8745 37.7101 177.0673 20 E 3.5597 7.1922 114.4131 51.2505 29.5453 174.3778 21 R 4.6144 8.2050 118.3156 55.2591 32.4313 175.9771 22 K 3.9613 8.6022 121.1929 56.9024 29.3444 175.4516 23 R 4.6534 7.4551 114.1159 56.9525 32.5524 176.7406 24 W 4.5237 8.3205 113.3747 55.4260 27.9765 176.6169 25 N 3.9754 8.8208 115.1196 52.5563 38.9400 174.1207 26 P 2.9700 0.0000 0.0000 64.4543 31.6631 177.6993 27 K 3.9763 7.6520 118.2608 58.4869 31.2935 176.9870 28 F 4.2664 8.6384 122.6916 57.8156 39.0635 176.5252 29 A 4.8701 7.6724 124.5125 53.4776 20.5792 179.2140 30 R 4.3016 7.7496 109.2869 57.4193 29.9655 176.3960 31 Y 4.8334 7.5425 116.9814 59.2546 40.0264 175.8548 32 I 4.2720 7.3340 117.4467 61.6041 38.2258 175.5728 33 Y 4.5659 9.6703 131.7446 60.0572 39.4727 174.7056 34 A 4.2927 7.5605 117.9921 50.6469 23.0020 175.1907 35 E 5.4867 7.9866 116.9855 54.7717 30.1559 176.0498 36 R 4.1211 7.6637 116.8596 56.8129 31.4398 177.3055 37 N 4.3030 8.9464 118.2339 53.3142 37.2615 174.1812 38 G 3.9320 8.0931 102.4344 46.6173 0.0000 173.6038 39 I 4.6730 7.0319 117.8699 59.2319 42.3508 174.6252 40 H 4.6944 8.7486 122.1931 55.8528 29.6285 174.6357 41 I 4.3982 8.7262 126.4361 59.3227 38.7693 175.2065 42 I 4.3884 8.3119 128.6692 60.6405 39.0915 174.7202 43 D 4.5565 9.0952 129.9912 54.1025 41.4612 177.0300 44 L 4.1113 8.8908 127.1380 57.7411 41.2159 178.8394 45 Q 3.9213 7.5951 119.8673 59.0805 28.7429 179.1620 46 K 4.1204 7.9619 119.1758 59.7256 32.2113 179.1789 47 T 3.8115 7.8008 115.5006 67.4481 68.3764 175.1709 48 M 3.8706 8.3427 119.2733 59.2062 31.7868 177.7005 49 E 4.0027 8.2645 117.1346 60.5577 29.8409 178.7552 50 E 4.1860 8.5635 119.0120 57.7624 28.8850 179.0674 51 L 4.2619 8.9590 119.1623 59.0561 42.1089 178.5676 52 E 4.0137 8.7007 118.5012 59.6157 28.8090 178.2757 53 R 4.0228 8.0397 119.0964 59.4764 30.6140 179.0302 54 T 3.9943 8.6915 116.3595 66.7764 68.5941 176.8184 55 F 4.0355 9.7960 120.1061 60.3122 38.8861 178.0153 56 R 3.9985 8.3310 118.2548 59.2793 29.8736 178.7114 57 F 3.9807 7.6264 119.8464 61.6236 39.1722 176.5354 58 I 3.4523 7.5320 119.0942 64.4820 36.9411 177.5287 59 E 4.0749 9.2290 120.0773 59.7050 29.3592 179.0285 60 D 4.2607 7.6607 117.0058 57.4719 41.2041 178.2875 61 L 3.7766 8.0911 120.6914 58.6391 42.0140 177.7124 62 A 4.0897 8.8931 121.4074 55.0819 18.7885 177.2898 63 M 4.3667 7.9651 120.0579 53.0605 29.4913 176.3185 64 R 4.7900 8.1918 129.5660 56.8721 30.5352 176.0003 65 G 3.9668 8.3028 107.4696 44.9112 0.0000 174.6605 66 G 4.6007 7.2923 108.0709 45.8644 0.0000 173.6185 67 T 4.2472 8.2185 114.6845 62.8558 70.4144 173.7784 68 I 4.8661 8.2025 122.5227 59.6018 40.8317 174.7432 69 L 4.6757 8.5641 129.6362 54.2897 42.8927 175.2320 70 F 5.1622 9.3658 126.9015 56.7885 40.5761 175.2091 71 V 4.9193 9.7908 125.1669 61.2248 34.2802 174.9746 72 G 4.3779 9.4120 116.3557 46.0769 0.0000 172.3688 73 T 4.3745 8.5696 117.9415 63.3617 70.0579 176.6377 74 K 4.0523 7.9407 121.2368 56.3590 33.0586 176.9224 75 K 3.8189 8.9295 122.0974 60.2396 32.5132 179.0385 76 Q 3.8302 7.9170 116.5847 58.6044 28.9917 179.3306 77 A 4.4128 7.8832 118.8133 53.8184 20.0044 179.5453 78 Q 4.4617 7.8499 118.1688 60.6214 28.8013 179.0453 79 D 4.2973 8.4062 118.9586 58.0124 40.0473 178.4510 80 I 3.7871 7.8074 119.2000 64.0537 37.5632 177.9659 81 V 3.6311 7.6718 120.2285 65.0024 31.2363 177.3936 82 R 2.9633 7.5867 117.4911 59.6666 30.0413 177.8779 83 M 4.1580 8.3909 118.3708 56.2429 31.3242 178.2718 84 E 3.7436 6.4476 125.9117 59.9841 30.6635 178.8180 85 A 3.7512 7.6887 120.8441 55.2276 18.4672 179.5029 86 E 4.1190 8.0700 116.0432 58.6824 29.3294 178.9590 87 R 4.0944 7.4920 116.1290 56.5241 29.8937 176.7187 88 A 4.3183 8.1486 115.7863 52.0848 23.1349 176.9341 89 G 4.0726 7.7023 105.0556 47.3568 0.0000 173.4610 90 M 4.8490 7.5096 115.0218 52.3381 35.5463 174.8683 91 P 5.0123 0.0000 0.0000 63.0316 32.8694 174.7072 92 Y 5.4224 7.9057 117.8096 56.5835 41.4580 173.5568 93 V 4.7344 9.6197 121.6010 61.8670 33.3489 175.2174 94 N 5.2460 9.3590 126.0498 53.6481 41.3677 174.8068 95 Q 4.6968 7.7988 112.4582 56.6452 28.2006 178.7386 96 R 4.5005 8.9394 132.4025 55.0156 30.0063 175.3067 97 W 4.3559 8.8053 134.8368 56.6249 28.9246 174.8912 98 L 3.7000 7.6905 122.0237 54.2549 41.9502 177.2734 99 G 3.5339 8.1547 110.4288 46.1349 0.0000 174.2349 100 G 3.9442 10.6677 112.4057 44.2039 0.0000 174.8538 101 M 3.6381 7.3896 120.5972 57.9025 31.7730 177.6414 102 L 4.5022 7.7200 117.3882 56.5848 43.0686 178.5539 103 T 3.9479 8.7230 109.4655 64.2629 69.3721 173.7498 104 N 5.0383 8.3293 121.5847 51.5992 39.3506 175.3721 105 F 5.0794 8.6742 123.6074 60.9734 39.5365 175.3456 106 K 3.4358 8.1198 118.2257 59.9226 32.1019 177.9472 107 T 4.1217 7.6787 114.8837 65.8934 68.4878 176.7249 108 I 3.8847 7.4720 120.5430 63.4897 36.9629 178.4585 109 S 4.0477 7.9198 116.8257 61.1976 62.5324 175.9579 110 Q 3.8720 7.3204 117.4685 57.8925 28.7018 178.2506 111 R 4.2365 7.5493 118.9001 57.4454 30.3783 178.6555 112 V 3.7709 8.5895 119.8622 65.8993 31.5001 178.0736 113 H 4.7229 7.9938 110.8929 56.2852 28.4240 175.9570 114 R 4.4925 7.6214 120.3122 56.1453 32.9934 176.7412 115 L 4.1373 7.8816 119.4812 58.0003 42.3908 178.6184 116 E 4.2376 8.8012 117.8256 59.1026 29.1814 177.7471 117 E 4.3280 8.0311 117.9042 56.9626 29.6486 177.2217 118 L 4.0882 8.3989 118.5890 57.4790 41.8286 178.6279 119 E 3.9983 7.8684 117.8214 58.8936 29.0931 179.2949 120 A 4.4658 7.1819 118.6500 52.1027 17.4647 177.9120 121 L 4.6841 8.8758 118.3667 56.6805 46.7897 177.2284 122 F 4.7509 7.7634 119.3570 57.3459 39.5236 175.4970 123 A 5.0766 6.8585 126.2215 51.8545 21.2430 175.1599 124 S 4.6027 6.6709 117.5276 55.9111 66.3673 171.8137 125 P 5.0947 0.0000 0.0000 63.3092 31.0058 176.7572 126 E 4.7384 7.8942 117.8868 58.0852 32.3366 178.8368 127 I 3.8263 7.2636 118.2283 63.6220 37.3186 176.8130 128 E 4.0861 8.1663 120.5618 57.7508 29.8169 175.9239 129 E 4.2557 7.6959 115.8306 54.8973 31.5289 173.2427 130 R 3.5800 8.5010 121.2169 55.2292 27.8621 174.5333 131 P 4.2889 0.0000 0.0000 62.0111 31.7883 176.8684 132 K 3.7652 8.7852 119.0492 59.7278 31.8650 178.2845 133 K 3.8915 8.1157 116.3168 58.4402 32.2089 176.8466 134 E 4.5578 8.3997 117.9274 56.2467 32.0041 178.2311 135 Q 4.2287 9.1090 118.6788 57.3051 27.9158 178.3001 136 V 3.8642 9.1040 129.4057 66.9603 31.7901 175.0940 137 R 3.8498 8.0900 118.0143 59.8846 29.6264 178.0384 138 L 4.1223 8.2739 119.7479 57.1852 42.0322 179.4371 139 K 4.1011 8.5690 119.5280 59.7335 31.9599 178.7516 140 H 3.7990 8.8221 116.7276 59.1908 28.2283 177.3431 141 E 4.0023 8.0653 120.3722 58.1972 29.2958 177.8101 142 L 4.1619 8.7134 120.6114 56.2295 42.0638 177.6815 143 E 3.8521 8.0202 118.3254 58.6929 29.2151 178.6814 144 R 4.2893 7.6124 115.1413 57.4472 30.7710 177.8014 145 L 3.9928 7.2887 120.8266 58.2713 41.7368 179.0161 146 Q 3.8748 8.3726 118.0946 59.0180 29.1147 177.2009 147 K 3.7636 6.9263 118.3434 59.6996 32.0485 177.4438 148 Y 4.5069 7.6657 114.9976 59.3530 39.8486 177.3568 149 L 4.6866 7.9559 121.1567 53.9334 38.5570 175.1693 150 S 4.3380 7.9247 114.4214 58.8210 65.4307 176.3318 151 G 2.9638 7.0723 110.0031 47.8782 0.0000 173.7118 152 F 4.3153 7.7172 126.7715 56.8804 37.4295 173.1240 153 R 4.5423 7.4387 125.3078 56.3063 36.8968 175.6099 154 L 3.9587 8.4173 117.9161 55.4487 39.8515 178.8728 155 L 3.8427 9.0990 124.9433 56.4563 42.1726 177.3276 156 K 4.9891 8.5096 124.3954 55.8926 32.8396 176.3124 157 R 4.4802 7.4711 117.0097 54.0783 33.1085 173.6878 158 L 3.6230 8.4854 124.1178 54.4369 41.4657 175.1945 159 P 4.1935 0.0000 0.0000 62.1079 31.7706 176.6494 160 D 4.6506 8.8469 122.1083 56.9810 42.2332 175.3068 161 A 5.1058 7.7079 119.0492 51.5592 23.6857 174.8168 162 I 4.8701 8.0930 110.3353 59.8047 41.0537 173.6679 163 F 5.6337 8.9086 127.8011 55.5273 41.9499 173.9424 164 V 5.2017 7.3861 123.8971 61.8082 35.4701 176.1416 165 V 3.6341 8.7825 119.5813 63.2098 31.3717 177.4987 166 D 4.4938 9.1535 133.6471 53.1010 41.5142 173.7712 167 P 4.1092 0.0000 0.0000 66.1072 30.9755 178.1725 168 T 3.8378 7.5320 108.9055 63.9529 69.1341 176.8086 169 K 4.1501 7.3510 122.9616 58.2167 33.1178 178.1208 170 E 4.3870 8.0534 118.9972 55.3072 26.2625 177.0007 171 A 4.0019 8.1208 126.7499 54.5414 19.1027 179.2433 172 I 3.6294 7.7625 117.7366 65.4496 37.2089 177.3296 173 A 2.0000 7.2804 120.0803 53.7962 17.6020 179.4613 174 V 3.2906 7.4478 113.8981 65.6900 31.7252 178.7768 175 R 4.0217 8.1440 118.4652 59.4729 30.0617 177.9726 176 E 4.2160 8.5327 118.3551 59.7559 29.4047 179.5879 177 A 4.0614 8.2339 119.5535 55.1144 18.5210 179.3804 178 R 3.9317 8.4812 117.4402 59.3463 30.5839 178.2899 179 K 3.9444 9.0518 120.5355 59.0973 32.1485 177.5704 180 L 4.3954 7.7831 118.0102 55.0671 42.4081 178.7105 181 F 4.0278 7.5946 115.3786 58.6094 38.4638 176.0289 182 I 3.8489 8.1548 121.4380 61.1427 37.1050 174.4820 183 P 5.1944 0.0000 0.0000 62.4966 32.3722 175.7112 184 V 4.6493 8.2248 119.5634 61.3780 35.2592 173.9701 185 I 5.5381 8.6140 119.2492 59.6133 41.2832 173.5886 186 A 3.7358 8.0058 124.4765 51.1833 22.6784 175.1558 187 L 5.4331 8.5662 122.4285 53.6885 41.7491 175.3518 188 A 4.9315 7.9582 128.8059 50.8331 22.8061 173.2004 189 D 3.8456 7.7911 113.9453 53.2852 41.4127 175.8004 190 T 3.0746 7.6135 107.5895 64.0968 68.1663 174.5568 191 D 4.2031 6.8331 121.8197 57.0061 41.6567 178.6890 192 S 4.6432 7.3704 117.5485 57.1713 65.5471 172.9326 193 D 5.2794 8.1541 119.4373 50.9593 43.4111 174.4908 194 P 4.2790 0.0000 0.0000 63.9605 29.8094 180.6415 195 D 3.8529 8.9484 110.0755 55.6555 42.6085 175.4788 196 L 4.3762 8.2278 121.4174 55.0002 40.9857 178.3801 197 V 4.0175 7.4981 119.9288 63.0694 32.3562 172.8251 198 D 3.9672 8.0689 126.3477 56.7486 41.1360 176.4480 199 Y 4.7521 8.9285 121.8959 56.3901 40.2874 174.7908 200 I 4.5421 7.7425 124.9506 60.6266 39.1938 176.6495 201 I 4.6375 8.4563 124.9971 58.7068 38.3820 171.0886 202 P 5.1845 0.0000 0.0000 63.4507 31.4413 176.0935 203 G 4.0468 9.4014 112.1400 45.8287 0.0000 170.1425 204 N 4.2025 8.9991 120.6520 53.3488 37.9438 173.8920 205 D 4.6400 8.4394 123.4423 53.9287 40.3293 177.2094 206 D 5.1004 7.9603 118.4972 55.7589 42.0021 176.0549 207 A 3.9089 7.9114 126.0185 52.6322 18.2817 178.0475 208 I 3.7750 8.5306 124.0783 65.1646 37.1402 178.3007 209 R 3.9590 7.8748 119.0819 59.0488 29.7955 178.3021 210 S 4.2656 8.2171 112.4150 61.9856 62.2031 176.3873 211 I 3.8260 7.7873 122.0373 64.2065 36.9230 177.5459 212 Q 3.9479 7.8553 118.5931 59.5217 28.6551 178.6479 213 L 3.9495 7.8582 120.7463 58.2652 41.5097 178.8423 214 I 3.9297 7.6335 119.0419 63.5444 37.4548 177.5331 215 L 4.3088 8.3181 118.6656 56.5711 41.5214 178.4402 216 S 4.4083 8.2199 114.8615 60.7073 62.5677 175.5628 217 R 3.9645 8.0386 120.6189 59.0626 29.5725 178.0336 218 A 4.5134 7.9624 121.1932 54.3779 18.3418 179.4006 219 V 3.2327 8.0272 115.5441 65.4809 31.8658 178.5138 220 D 4.3363 8.4435 119.3800 57.2432 40.5904 178.1726 221 L 4.1657 7.7387 116.7718 56.2951 41.7349 178.8948 222 I 4.0993 7.1239 120.7725 63.8442 37.4007 178.0349 223 I 3.6621 7.6368 120.4202 64.5059 36.8484 178.2778 224 Q 3.7526 8.3973 118.6316 58.0223 28.7437 176.7085 225 A 4.6485 7.4062 120.1813 51.9007 19.1931 175.7640 226 R 4.3658 9.3670 116.9756 56.1052 32.2322 176.8384 227 G 4.9107 8.0862 125.3091 43.9787 0.0000 170.0166 228 G 3.4558 8.0209 115.5418 45.8132 0.0000 173.3593 229 V 3.8622 7.3033 118.8703 63.5705 30.5511 177.5661 230 V 4.0472 7.7452 125.0853 60.6250 32.2466 173.4028 231 E 4.8148 8.1396 121.6417 54.6645 32.4297 173.1437 232 P 4.2329 0.0000 0.0000 62.5644 32.2845 174.8876 233 S 4.5064 8.0970 113.4495 55.8901 65.8728 170.9270 234 P 4.2735 0.0000 0.0000 63.4618 30.3116 175.5504 235 S 4.4854 8.7269 115.9609 58.7550 65.2213 173.8599 236 Y 4.3489 8.0240 118.5849 56.1488 37.2033 175.0211 237 A 4.3104 8.3633 126.5642 53.9908 19.6338 178.3133 238 L 4.3791 7.7654 111.3586 57.3774 42.8967 177.3417 239 V 2.9400 8.5853 115.0647 63.6569 29.1172 171.1001 240 Q 3.6917 7.7350 131.5658 57.4633 29.0337 173.3778 *241 E 4.1630 7.9430 116.6069 56.0764 30.4602 177.6205 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 8.05 4.03 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 0.94 0.00 0.00 0.90 0.00 0.00 8 K 8.25 3.74 0.00 1.86 1.56 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.37 7.81 9 E 9.37 4.54 0.00 1.96 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 2.32 2.16 0.00 10 L 7.90 3.98 0.00 1.79 1.62 0.90 0.63 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 11 L 7.80 3.94 0.00 1.61 1.70 0.95 0.88 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 12 E 8.28 3.70 0.00 2.22 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 2.53 0.00 13 A 6.56 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.33 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 15 V 7.36 4.71 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 0.63 0.00 0.00 0.87 0.00 0.00 16 H 8.32 4.89 0.00 3.12 3.32 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.86 4.95 0.00 3.19 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.44 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 19 H 8.31 4.41 0.00 3.06 2.46 0.00 5.97 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.19 3.56 0.00 1.87 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 2.34 2.20 0.00 21 R 8.21 4.61 0.00 1.89 1.80 0.00 3.06 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 22 K 8.60 3.96 0.00 1.83 2.05 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.64 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.31 1.31 7.81 23 R 7.46 4.65 0.00 1.72 1.99 0.00 3.31 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 24 W 8.32 4.52 0.00 3.52 2.61 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 25 N 8.82 3.98 0.00 2.67 2.71 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 1.84 1.43 0.00 3.11 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 27 K 7.65 3.98 0.00 1.83 1.80 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.31 7.81 28 F 8.64 4.27 0.00 3.13 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 29 A 7.67 4.87 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.75 4.30 0.00 1.88 1.95 0.00 2.80 0.00 0.00 3.01 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.00 31 Y 7.54 4.83 0.00 2.25 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.33 4.27 2.18 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 1.25 0.89 1.12 0.00 0.00 33 Y 9.67 4.57 0.00 3.06 3.20 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 34 A 7.56 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.99 5.49 0.00 1.59 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 1.98 1.98 0.00 36 R 7.66 4.12 0.00 1.94 1.80 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 37 N 8.95 4.30 0.00 2.85 2.94 0.00 0.00 7.01 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 8.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.03 4.67 1.81 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 1.18 0.97 0.89 0.00 0.00 40 H 8.75 4.69 0.00 3.26 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.73 4.40 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.61 0.82 0.00 0.00 42 I 8.31 4.39 2.11 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 1.06 0.00 0.00 43 D 9.10 4.56 0.00 3.15 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 44 L 8.89 4.11 0.00 1.79 1.73 1.32 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.60 3.92 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 46 K 7.96 4.12 0.00 2.16 1.54 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 47 T 7.80 3.81 4.37 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 1.35 0.00 0.00 48 M 8.34 3.87 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 49 E 8.26 4.00 0.00 2.19 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 2.63 0.00 50 E 8.56 4.19 0.00 2.12 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 2.16 2.21 0.00 51 L 8.96 4.26 0.00 1.86 2.00 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.70 4.01 0.00 2.20 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 2.37 0.00 53 R 8.04 4.02 0.00 2.01 2.01 0.00 3.40 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 54 T 8.69 3.99 4.44 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 1.14 0.00 0.00 55 F 9.80 4.04 0.00 3.27 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.33 4.00 0.00 2.09 2.05 0.00 3.34 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 57 F 7.63 3.98 0.00 2.29 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 58 I 7.53 3.45 1.96 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.87 0.00 0.00 59 E 9.23 4.07 0.00 2.14 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 2.31 2.39 0.00 60 D 7.66 4.26 0.00 2.75 2.61 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 61 L 8.09 3.78 0.00 0.77 1.42 0.72 1.20 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 62 A 8.89 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.97 4.37 0.00 2.39 2.10 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 2.56 2.65 0.00 64 R 8.19 4.79 0.00 1.90 2.02 0.00 2.86 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 65 G 8.30 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 66 G 7.29 4.60 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 0.00 0.00 0.00 67 T 8.22 4.25 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 1.25 0.00 0.00 68 I 8.20 4.87 2.13 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 1.23 0.90 0.30 0.00 0.00 69 L 8.56 4.68 0.00 1.82 1.68 1.26 0.92 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 70 F 9.37 5.16 0.00 3.28 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 71 V 9.79 4.92 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 1.22 0.00 0.00 1.09 0.00 0.00 72 G 9.41 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 0.00 0.00 0.00 0.00 73 T 8.57 4.37 4.40 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 1.44 0.00 0.00 74 K 7.94 4.05 0.00 1.97 2.01 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.49 7.81 75 K 8.93 3.82 0.00 1.81 1.93 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.46 7.81 76 Q 7.92 3.83 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 77 A 7.88 4.41 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 78 Q 7.85 4.46 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 79 D 8.41 4.30 0.00 2.66 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 80 I 7.81 3.79 1.88 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 1.40 0.70 0.91 0.00 0.00 81 V 7.67 3.63 2.37 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 0.98 0.00 0.00 1.07 0.00 0.00 82 R 7.59 2.96 0.00 1.73 1.79 0.00 3.28 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 1.64 1.65 0.00 83 M 8.39 4.16 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 84 E 6.45 3.74 0.00 2.07 1.81 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 2.35 2.46 0.00 85 A 7.69 3.75 1.23 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 0.00 0.00 86 E 8.07 4.12 0.00 2.01 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 2.47 2.51 0.00 87 R 7.49 4.09 0.00 1.89 1.97 0.00 3.39 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 88 A 8.15 4.32 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 89 G 7.70 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 7.51 4.85 0.00 2.43 1.97 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 91 P 0.00 5.01 0.00 2.15 2.01 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 92 Y 7.91 5.42 0.00 3.36 3.21 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 0.00 93 V 9.62 4.73 2.46 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 1.34 0.00 0.00 1.35 0.00 0.00 94 N 9.36 5.25 0.00 3.08 3.05 0.00 0.00 6.99 6.72 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 95 Q 7.80 4.70 0.00 2.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 96 R 8.94 4.50 0.00 1.80 1.91 0.00 3.44 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 97 W 8.81 4.36 0.00 3.27 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 98 L 7.69 3.70 0.00 1.13 1.24 0.62 0.63 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 G 8.15 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 0.00 0.00 0.00 100 G 10.67 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 0.00 0.00 0.00 101 M 7.39 3.64 0.00 1.50 1.52 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 102 L 7.72 4.50 0.00 2.06 1.76 1.38 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.72 3.95 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 1.27 0.00 0.00 104 N 8.33 5.04 0.00 2.74 2.76 0.00 0.00 6.63 8.20 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 0.00 105 F 8.67 5.08 0.00 3.39 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 0.00 106 K 8.12 3.44 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.46 7.81 107 T 7.68 4.12 4.24 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 1.15 0.00 0.00 108 I 7.47 3.88 1.97 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 1.70 1.02 0.49 0.00 0.00 109 S 7.92 4.05 0.00 3.61 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.32 3.87 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 111 R 7.55 4.24 0.00 2.01 1.97 0.00 3.23 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 112 V 8.59 3.77 2.24 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 1.04 0.00 0.00 1.03 0.00 0.00 113 H 7.99 4.72 0.00 3.09 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.62 4.49 0.00 1.68 2.10 0.00 3.43 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 115 L 7.88 4.14 0.00 1.92 1.77 0.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.80 4.24 0.00 2.16 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 2.50 2.27 0.00 117 E 8.03 4.33 0.00 2.05 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 2.36 2.40 0.00 118 L 8.40 4.09 0.00 1.84 1.68 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.87 4.00 0.00 2.37 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 0.00 2.38 2.44 0.00 120 A 7.18 4.47 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 0.00 121 L 8.88 4.68 0.00 1.84 1.69 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.76 4.75 0.00 2.86 3.21 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 0.00 123 A 6.86 5.08 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 0.00 124 S 6.67 4.60 0.00 3.80 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 0.00 125 P 0.00 5.09 0.00 2.22 2.11 0.00 3.76 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 1.99 1.98 0.00 126 E 7.89 4.74 0.00 2.02 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 2.48 2.29 0.00 127 I 7.26 3.83 1.87 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 1.22 0.75 0.92 0.00 0.00 128 E 8.17 4.09 0.00 1.90 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 2.27 2.35 0.00 129 E 7.70 4.26 0.00 2.15 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 2.26 2.32 0.00 130 R 8.50 3.58 0.00 1.98 2.02 0.00 3.32 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 131 P 0.00 4.29 0.00 2.21 2.24 0.00 3.73 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 2.00 0.00 132 K 8.79 3.77 0.00 1.81 1.89 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.51 7.81 133 K 8.12 3.89 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 134 E 8.40 4.56 0.00 2.11 1.98 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 2.25 2.41 0.00 135 Q 9.11 4.23 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 136 V 9.10 3.86 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 0.74 0.00 0.00 0.94 0.00 0.00 137 R 8.09 3.85 0.00 2.03 1.96 0.00 3.40 0.00 0.00 3.35 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 138 L 8.27 4.12 0.00 1.75 1.73 0.97 0.90 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 0.00 139 K 8.57 4.10 0.00 1.79 1.98 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.68 1.67 7.81 140 H 8.82 3.80 0.00 3.50 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.07 4.00 0.00 2.17 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 2.32 2.33 0.00 142 L 8.71 4.16 0.00 1.57 1.66 0.83 0.71 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 0.00 143 E 8.02 3.85 0.00 2.02 1.88 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 2.34 2.58 0.00 144 R 7.61 4.29 0.00 2.14 2.15 0.00 2.88 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 1.88 1.69 0.00 145 L 7.29 3.99 0.00 1.76 1.73 1.04 0.89 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 0.00 146 Q 8.37 3.87 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 147 K 6.93 3.76 0.00 1.66 1.37 0.00 1.56 0.00 0.00 1.05 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.24 7.81 148 Y 7.67 4.51 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.96 4.69 0.00 1.86 1.73 1.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.92 4.34 0.00 3.77 3.70 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 0.00 151 G 7.07 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 0.00 0.00 0.00 152 F 7.72 4.32 0.00 3.06 2.97 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 0.00 153 R 7.44 4.54 0.00 1.91 1.94 0.00 3.29 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 154 L 8.42 3.96 0.00 1.63 1.25 0.93 0.94 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 0.00 155 L 9.10 3.84 0.00 1.52 1.72 0.90 0.81 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 0.00 156 K 8.51 4.99 0.00 1.81 1.96 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.62 7.81 157 R 7.47 4.48 0.00 1.70 1.68 0.00 3.25 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 1.46 1.63 0.00 158 L 8.49 3.62 0.00 1.61 1.62 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.19 0.00 2.05 2.06 0.00 3.61 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 160 D 8.85 4.65 0.00 2.61 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 0.00 161 A 7.71 5.11 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 0.00 162 I 8.09 4.87 1.84 0.00 0.00 0.79 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 0.44 0.96 0.00 0.00 163 F 8.91 5.63 0.00 2.33 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 0.00 0.00 0.00 164 V 7.39 5.20 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 1.15 0.00 0.00 0.80 0.00 0.00 165 V 8.78 3.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 166 D 9.15 4.49 0.00 2.69 2.54 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 0.00 167 P 0.00 4.11 0.00 2.19 2.23 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 168 T 7.53 3.84 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 1.21 0.00 0.00 169 K 7.35 4.15 0.00 1.97 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 170 E 8.05 4.39 0.00 1.87 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 171 A 8.12 4.00 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 0.00 172 I 7.76 3.63 2.14 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 1.72 0.62 1.25 0.00 0.00 173 A 7.28 2.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.45 3.29 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 0.88 0.00 0.00 0.86 0.00 0.00 175 R 8.14 4.02 0.00 1.98 2.03 0.00 3.18 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 1.60 1.64 0.00 176 E 8.53 4.22 0.00 2.62 2.30 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 2.53 2.95 0.00 177 A 8.23 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 0.00 178 R 8.48 3.93 0.00 1.74 2.09 0.00 3.28 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 179 K 9.05 3.94 0.00 1.64 1.74 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.37 7.81 180 L 7.78 4.40 0.00 2.00 1.70 1.00 1.24 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 0.00 181 F 7.59 4.03 0.00 3.27 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 0.00 182 I 8.15 3.85 2.03 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 1.30 0.75 0.97 0.00 0.00 183 P 0.00 5.19 0.00 2.12 2.03 0.00 3.98 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 184 V 8.22 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 0.93 0.00 0.00 0.94 0.00 0.00 185 I 8.61 5.54 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 1.17 0.00 0.00 186 A 8.01 3.74 1.02 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 0.00 0.00 187 L 8.57 5.43 0.00 1.68 1.60 1.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.96 4.93 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 0.00 189 D 7.79 3.85 0.00 2.54 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 T 7.61 3.07 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 0.00 191 D 6.83 4.20 0.00 2.90 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 0.00 192 S 7.37 4.64 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 5.28 0.00 2.70 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 0.00 194 P 0.00 4.28 0.00 2.15 1.86 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.62 0.00 195 D 8.95 3.85 0.00 2.68 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 0.00 196 L 8.23 4.38 0.00 1.62 1.69 0.99 0.99 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 0.00 197 V 7.50 4.02 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 0.75 0.00 0.00 0.88 0.00 0.00 198 D 8.07 3.97 0.00 2.67 1.72 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 0.00 199 Y 8.93 4.75 0.00 2.83 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 0.00 200 I 7.74 4.54 2.15 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 1.24 0.61 1.03 0.00 0.00 201 I 8.46 4.64 1.98 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 1.36 1.41 1.08 0.00 0.00 202 P 0.00 5.18 0.00 2.19 2.21 0.00 3.86 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 1.92 1.60 0.00 203 G 9.40 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 0.00 0.00 0.00 204 N 9.00 4.20 0.00 2.92 3.03 0.00 0.00 7.01 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 8.44 4.64 0.00 2.82 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 0.00 206 D 7.96 5.10 0.00 2.23 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 0.00 207 A 7.91 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.53 3.78 1.83 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 1.69 1.10 0.91 0.00 0.00 209 R 7.87 3.96 0.00 1.80 1.93 0.00 3.17 0.00 0.00 3.19 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 210 S 8.22 4.27 0.00 4.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 I 7.79 3.83 2.03 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 1.56 0.77 0.98 0.00 0.00 212 Q 7.86 3.95 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 213 L 7.86 3.95 0.00 1.68 1.76 0.60 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 0.00 214 I 7.63 3.93 2.14 0.00 0.00 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 1.78 1.38 1.19 0.00 0.00 215 L 8.32 4.31 0.00 1.68 1.68 1.06 1.16 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 0.00 216 S 8.22 4.41 0.00 4.08 3.95 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 0.00 217 R 8.04 3.96 0.00 1.92 1.71 0.00 3.20 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 218 A 7.96 4.51 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 0.00 219 V 8.03 3.23 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 0.98 0.00 0.00 0.79 0.00 0.00 220 D 8.44 4.34 0.00 2.74 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 0.00 221 L 7.74 4.17 0.00 2.04 1.89 1.01 0.59 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 0.00 222 I 7.12 4.10 2.07 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 1.80 1.73 0.92 0.00 0.00 223 I 7.64 3.66 1.86 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 1.38 1.14 0.93 0.00 0.00 224 Q 8.40 3.75 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.14 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 225 A 7.41 4.65 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 0.00 226 R 9.37 4.37 0.00 1.78 1.87 0.00 3.42 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 227 G 8.09 4.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.02 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 0.00 229 V 7.30 3.86 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 0.82 0.00 0.00 0.92 0.00 0.00 230 V 7.75 4.05 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 0.85 0.00 0.00 0.92 0.00 0.00 231 E 8.14 4.81 0.00 2.01 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 2.14 2.27 0.00 232 P 0.00 4.23 0.00 2.05 2.05 0.00 3.65 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 2.02 2.11 0.00 233 S 8.10 4.51 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 2.19 2.18 0.00 3.69 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 1.97 1.97 0.00 235 S 8.73 4.49 0.00 4.04 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 0.00 236 Y 8.02 4.35 0.00 2.88 2.99 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 0.00 237 A 8.36 4.31 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 0.00 238 L 7.77 4.38 0.00 1.71 1.74 0.92 0.64 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 0.00 239 V 8.59 2.94 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 0.47 0.00 0.00 0.48 0.00 0.00 240 Q 7.73 3.69 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 *241 E 7.94 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.