NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0332 8.0549 120.3881 62.4720 33.8702 177.0429 8 K 4.0100 7.8530 119.2375 58.8049 32.2994 175.3948 9 E 4.7458 8.7974 120.8077 59.0014 29.5540 179.2055 10 L 3.9802 7.7253 117.6552 58.2088 41.9674 178.6812 11 L 4.0659 7.9643 119.1263 57.1899 41.4476 178.8905 12 E 3.9317 8.1270 117.2698 60.0539 29.5832 179.2492 13 A 3.6135 7.5507 119.3012 53.6104 18.4568 179.3601 14 G 3.6733 8.0771 104.7681 46.4432 0.0000 174.6151 15 V 4.6497 7.3321 109.5618 60.6636 34.9740 172.7177 16 H 4.8817 8.0838 111.0015 56.4548 31.5772 173.4705 17 F 4.8905 8.2370 114.8323 55.8156 40.7834 171.6329 18 G 3.5131 8.7152 111.2615 46.3650 0.0000 171.1335 19 H 5.0810 8.0637 126.2052 55.1167 32.3663 176.4653 20 E 3.9628 9.2941 114.7522 56.7638 30.2494 174.7516 21 R 4.3664 8.1881 118.8993 54.8997 32.1090 175.6928 22 K 3.7429 9.0782 121.4098 56.9238 29.7725 175.6696 23 R 4.8070 7.5556 117.4161 55.6428 31.1965 178.1950 24 W 4.7887 8.2839 114.9447 54.0312 27.4891 177.7867 25 N 3.9399 8.0030 112.9946 51.7975 39.5344 172.6764 26 P 2.9700 0.0000 0.0000 64.7729 31.5947 178.1447 27 K 3.8920 8.2191 119.0791 59.4404 31.9573 178.0759 28 F 4.1944 8.4591 118.6602 58.4135 38.6928 175.8243 29 A 4.4402 7.6817 123.1223 52.8112 18.8357 180.0354 30 R 4.1530 7.3292 110.8154 57.4791 29.9032 176.3645 31 Y 5.0109 7.0430 116.5265 57.9639 38.7460 174.8246 32 I 4.8891 7.7506 117.7151 59.6056 41.3764 173.3949 33 Y 4.5147 8.6678 126.5955 58.2877 40.0114 175.3531 34 A 4.2481 7.1481 119.6835 51.8983 21.9279 174.1988 35 E 5.3731 8.1374 115.1102 53.5340 30.2704 174.7981 36 R 4.2006 8.1823 124.4332 55.7633 31.1045 176.7627 37 N 4.2227 9.8803 119.5615 54.2199 37.5599 174.3271 38 G 4.1094 8.2560 104.4214 46.2895 0.0000 174.3420 39 I 4.0982 7.7418 121.4017 60.4465 38.2152 174.6557 40 H 4.6829 8.3608 120.9257 55.8846 29.7834 174.6481 41 I 4.3014 8.9861 126.3604 59.4788 38.3540 175.0616 42 I 4.4940 8.2363 128.5107 60.4072 38.5145 174.8891 43 D 4.4662 8.5895 129.2615 54.7725 41.5704 176.9288 44 L 4.2711 8.7757 127.7684 56.7551 41.6721 178.5588 45 Q 3.9450 8.1422 119.1865 59.3147 28.8611 178.5363 46 K 4.1570 8.0119 119.5691 59.2781 32.0380 178.6527 47 T 3.8169 7.5042 115.1036 66.7616 68.2758 176.0989 48 M 4.0706 8.4579 120.4349 58.8351 32.2984 178.1236 49 E 4.3996 7.7138 118.2480 59.0575 29.4656 179.0383 50 E 4.0731 7.9513 117.9464 58.4350 29.9544 178.2697 51 L 3.9215 8.0585 119.3697 58.3642 41.7634 178.4695 52 E 3.9578 8.8776 118.5748 60.2579 28.8844 178.8236 53 R 4.0381 8.0013 117.6009 59.8545 30.2915 179.0778 54 T 3.7171 8.1296 115.8939 66.4716 68.2999 176.7201 55 F 4.1170 8.3222 119.8272 60.6409 38.8456 178.0173 56 R 3.7898 8.2390 116.9419 58.8844 29.5346 178.0226 57 F 4.3797 7.5198 119.1676 60.4530 39.7853 177.4863 58 I 3.3923 7.3476 119.3000 64.5252 36.9801 178.0607 59 E 4.0247 8.8452 120.2999 59.0376 29.1910 177.3579 60 D 4.5204 7.3361 114.2877 54.3685 41.4392 175.8727 61 L 4.3177 7.2198 119.8700 56.2678 44.0277 178.2974 62 A 4.0100 8.5638 122.0473 54.8649 18.4463 178.2979 63 M 4.5344 7.8572 111.6042 55.2746 31.3025 176.6259 64 R 4.4547 7.4502 112.8556 55.1243 30.5056 175.7376 65 G 3.9633 7.7038 106.0038 46.5635 0.0000 173.1753 66 G 4.1844 7.5577 107.9239 44.0363 0.0000 169.9392 67 T 4.5111 8.2328 112.4426 60.6959 70.7695 173.6828 68 I 4.6799 8.3741 123.7212 59.4120 40.6997 174.7164 69 L 4.9327 8.0714 126.5780 53.5133 44.0178 175.1498 70 F 5.0213 9.0734 126.4542 57.0170 40.7651 175.3705 71 V 4.8092 8.5347 122.1057 61.4597 35.3094 174.3857 72 G 4.2421 8.3480 110.4367 45.9888 0.0000 173.1271 73 T 4.9184 9.4437 114.9538 60.0757 69.6725 173.8491 74 K 4.4207 7.7189 122.4967 55.3263 34.4295 176.9811 75 K 3.7849 8.9488 124.4394 59.9635 32.0113 178.0951 76 Q 4.2785 8.0440 112.2501 57.0176 28.2662 176.9016 77 A 4.4330 7.9152 120.4666 51.6107 19.6122 178.4427 78 Q 4.2030 7.4593 120.5071 59.2614 29.7363 178.3086 79 D 4.4035 8.2183 117.9723 56.8710 39.4691 178.6282 80 I 3.7999 7.6583 110.8864 62.0844 37.7833 176.6031 81 V 4.1186 7.6829 119.1954 63.1001 33.1162 177.1435 82 R 3.1469 7.9391 119.0033 59.8392 29.8671 177.3009 83 M 4.2533 8.2413 119.9243 55.6659 31.7064 178.4704 84 E 3.6368 7.8444 121.2976 59.2497 30.3763 179.4527 85 A 3.5861 7.1580 120.3930 55.0596 18.6821 179.4915 86 E 3.8677 7.4296 115.4907 59.6025 29.6606 179.1329 87 R 4.1862 8.0027 115.8594 57.3093 30.0169 176.1483 88 A 4.5198 7.7393 117.6615 51.2234 20.8233 175.7773 89 G 3.9903 7.9721 103.5779 46.7284 0.0000 173.9406 90 M 4.9677 7.5740 115.0896 52.5244 36.5167 174.2900 91 P 4.9604 0.0000 0.0000 63.5989 32.9695 174.3531 92 Y 5.7037 7.9891 117.7796 57.6782 41.3356 174.0465 93 V 4.2683 8.4198 118.8079 61.6537 34.0783 174.9856 94 N 4.9468 9.0601 127.2083 55.4165 40.5580 174.4802 95 Q 4.6781 7.7963 123.9723 56.0013 28.3248 176.7531 96 R 4.1787 8.7171 126.3219 56.3538 30.0380 177.1424 97 W 4.2759 8.6476 134.3364 56.4316 28.3411 174.9206 98 L 3.7182 7.5895 122.2612 54.2232 41.9933 177.4482 99 G 3.5652 8.1213 110.0131 46.1808 0.0000 174.2402 100 G 3.8413 10.2082 111.5819 45.7239 0.0000 175.1950 101 M 3.8727 7.2568 119.4869 58.5794 32.1916 178.8539 102 L 4.0152 7.9900 117.0722 58.2467 42.3684 178.8861 103 T 4.0172 9.0622 115.8409 66.0718 69.3670 174.5841 104 N 5.1114 8.5486 120.4512 52.4494 37.8080 175.2472 105 F 5.4441 7.8971 123.8234 60.5169 39.9297 175.1405 106 K 3.9866 8.0593 116.9722 57.8930 32.1798 177.3438 107 T 5.2136 7.4901 115.7918 64.8780 70.0872 176.3043 108 I 3.8033 7.7172 121.2292 64.2162 37.1378 178.5598 109 S 4.2601 7.8363 115.5013 61.1338 62.6724 175.9937 110 Q 4.1553 7.7210 119.5080 57.4894 28.1553 177.5431 111 R 4.4931 7.4387 117.8172 56.5366 31.6186 177.8624 112 V 3.8993 7.5630 118.1995 65.7584 31.5366 176.7433 113 H 4.4635 8.0681 112.3395 56.7261 28.3495 176.1524 114 R 4.4856 7.5722 120.9706 56.6392 31.6452 177.3067 115 L 4.0175 7.6045 120.2270 58.1885 42.0924 178.7783 116 E 4.0955 8.1066 116.6537 58.9859 29.5738 178.4162 117 E 3.9897 8.1744 118.2069 58.3682 30.1080 177.3321 118 L 4.5770 7.3880 116.3588 55.0834 43.1919 178.3040 119 E 3.9866 8.1027 119.0096 58.2029 29.5980 177.0040 120 A 4.6021 8.2083 119.2126 51.9224 19.7228 176.5508 121 L 4.5748 7.7154 116.2640 54.6586 42.1779 176.9454 122 F 4.3420 7.6071 118.5070 60.5782 39.6245 176.5198 123 A 3.9846 7.6518 131.2684 50.8520 17.2654 176.0207 124 S 4.5486 7.5650 113.5694 57.1704 65.2957 172.6518 125 P 4.5700 0.0000 0.0000 63.3110 31.6878 176.5967 126 E 4.3023 7.8630 119.3031 57.7830 29.9363 178.4286 127 I 3.9080 7.6030 118.9117 63.5650 37.6724 176.5887 128 E 4.0855 8.4224 120.7300 59.1947 29.9310 176.5549 129 E 4.2748 7.3976 121.2238 55.8888 29.5977 174.8339 130 R 3.7076 8.7348 130.1897 55.8653 27.7984 174.0466 131 P 4.3443 0.0000 0.0000 62.5836 31.9174 177.3932 132 K 3.8772 8.7374 119.8817 59.5806 31.6250 178.6411 133 K 3.8645 8.1479 118.3586 60.0292 31.9823 178.4238 134 E 4.1950 8.2141 117.0186 58.2393 29.4243 179.4196 135 Q 3.9702 7.7855 118.7776 59.0252 29.1471 178.1474 136 V 3.6311 7.6707 118.7029 66.0911 31.4492 178.3388 137 R 3.9195 7.8107 117.7178 59.4064 30.0826 179.0638 138 L 4.3447 8.2227 118.7756 57.1673 41.4860 179.4977 139 K 3.9269 8.2283 120.2413 59.5863 32.1666 177.9525 140 H 4.1306 8.2915 118.3798 59.4480 29.7289 176.3490 141 E 3.9086 8.6950 121.1605 59.4214 29.3743 178.5571 142 L 3.8923 7.9013 119.8242 58.4923 42.1556 178.2147 143 E 3.8132 8.7418 119.2359 59.8971 29.4348 179.8860 144 R 3.6099 8.3787 115.5998 59.2318 29.6863 178.1880 145 L 3.9289 7.9579 122.0607 57.8623 42.1244 178.7501 146 Q 3.8698 8.5286 119.2455 59.2659 28.8261 177.8970 147 K 3.7111 7.9221 119.3455 59.5474 32.0536 177.1787 148 Y 4.7320 7.7371 114.5896 58.3281 38.8345 176.9319 149 L 4.8208 7.4930 118.7277 54.3454 42.3976 178.4555 150 S 4.0758 7.5262 116.6020 61.5632 62.9867 176.0376 151 G 2.9194 7.5241 105.8371 44.9425 0.0000 173.2569 152 F 5.1072 7.4166 122.8745 57.7868 38.1157 174.0428 153 R 4.1910 6.6185 117.5999 55.1242 35.5582 181.8634 154 L 2.9736 7.6279 114.9181 54.7797 43.1114 177.7268 155 L 4.3459 8.9041 128.0214 54.6336 43.0788 178.0753 156 K 4.5106 8.3878 126.8379 53.4634 30.6188 176.2571 157 R 4.6398 7.6422 115.3707 55.1619 33.1468 173.6636 158 L 3.6296 8.9292 124.6513 54.4546 41.6718 175.4080 159 P 4.2823 0.0000 0.0000 63.5237 31.7226 176.5880 160 D 4.6347 8.4025 119.7556 55.5467 41.5903 175.3991 161 A 4.8987 7.6179 119.9546 51.5911 23.7896 175.2126 162 I 4.5348 8.3713 111.5704 59.8699 41.0582 174.0088 163 F 6.0516 8.4578 128.7202 56.2785 41.6175 174.5047 164 V 4.5117 7.9755 122.9859 62.9053 34.9905 173.6837 165 V 3.6394 8.5163 121.6556 62.6009 31.9252 177.9931 166 D 4.5307 9.2424 135.0000 52.7692 41.2652 173.7733 167 P 4.1977 0.0000 0.0000 65.7743 31.5394 178.7314 168 T 3.9659 7.6378 107.2567 63.0856 69.2615 175.4722 169 K 4.1064 7.8208 122.9866 58.5187 32.6375 176.3880 170 E 4.6687 7.7632 117.4204 55.0594 30.3425 177.4404 171 A 4.0008 7.7983 123.1146 54.0133 18.7852 179.0568 172 I 3.6107 7.8266 118.4210 64.7626 37.1103 177.6709 173 A 2.5800 6.9116 120.4934 54.8958 18.0059 179.6772 174 V 3.3359 7.4969 115.8678 66.0882 31.2659 178.2146 175 R 3.8132 7.9332 118.4027 59.3751 30.1467 177.7927 176 E 4.0289 8.3235 119.2671 58.8260 29.5265 179.0759 177 A 4.0264 8.2050 120.3537 55.5900 18.3177 179.7362 178 R 3.6861 8.0191 116.8537 59.3084 29.8695 178.5163 179 K 4.0361 8.3241 118.8744 58.5822 32.2708 178.0427 180 L 4.4730 7.5995 117.3495 55.0911 41.9829 177.3978 181 F 3.8061 7.4323 114.8796 56.9658 37.1913 174.2979 182 I 4.0723 7.7979 122.3037 60.3814 37.3990 174.2563 183 P 4.3866 0.0000 0.0000 62.5014 32.4511 175.2902 184 V 4.9013 8.5092 123.8633 60.9960 34.0047 174.1089 185 I 5.2569 9.2122 121.1836 59.5214 40.5544 174.2383 186 A 5.1124 9.2167 125.3490 51.4694 23.2610 175.2123 187 L 5.5117 9.4697 123.3618 53.1075 41.0780 175.1500 188 A 4.6597 8.2128 125.6045 49.9085 21.4247 175.9768 189 D 5.0788 8.0835 120.7564 53.1865 40.0727 177.1522 190 T 3.6800 8.1740 105.4364 62.9607 69.5556 175.5973 191 D 4.5029 7.5320 119.5217 55.2168 41.3999 175.3693 192 S 4.6934 7.2606 113.0096 57.1764 66.2496 172.5861 193 D 4.9688 8.2487 121.5084 50.6150 42.2424 173.7300 194 P 4.2681 0.0000 0.0000 64.6169 29.2819 180.7591 195 D 3.8621 9.0210 113.8698 55.7469 42.7325 174.7639 196 L 4.3315 8.3319 120.9853 55.7369 40.8731 176.5833 197 V 4.2799 7.1204 117.5361 61.6296 33.4663 174.9084 198 D 4.1211 8.6805 127.2061 56.8797 41.9023 175.7546 199 Y 4.9166 8.4977 117.2846 56.1641 40.9821 174.6842 200 I 4.7182 8.5188 125.2308 59.7886 39.5286 176.1357 201 I 4.4604 9.2142 129.4096 58.4532 37.7364 171.2439 202 P 5.0669 0.0000 0.0000 63.5370 31.8896 175.9531 203 G 4.1316 8.6515 111.2378 45.6057 0.0000 171.8294 204 N 4.5375 9.0975 118.4028 54.3315 39.2037 174.3898 205 D 4.7874 8.0259 119.2248 53.5161 41.0289 175.1172 206 D 4.5119 7.9272 117.8260 56.0987 43.3490 176.2795 207 A 4.0503 7.8081 122.5797 52.1790 18.3624 178.1887 208 I 3.8626 8.4214 124.2266 64.1910 37.0583 177.5586 209 R 3.9334 7.8545 118.9159 59.0415 29.5132 178.0775 210 S 4.1690 8.2111 114.5803 61.8584 62.7392 176.9330 211 I 3.7406 7.2356 119.5701 64.1103 36.7058 178.0748 212 Q 3.8377 8.2996 120.6285 59.2515 28.7994 177.9984 213 L 3.8975 7.9822 119.1939 57.5896 42.0915 177.8308 214 I 4.3982 7.4713 118.9058 62.8154 38.3204 177.6595 215 L 4.2496 8.5505 121.6017 57.9410 41.8501 178.9763 216 S 5.0176 8.3359 114.9082 61.2376 62.4825 176.4596 217 R 4.0766 8.0821 119.8034 58.6853 29.8480 179.0025 218 A 4.4826 8.0613 121.1686 55.4967 18.0839 179.9195 219 V 3.7110 8.1771 116.7550 65.9413 31.4370 178.0719 220 D 4.3243 8.7928 119.2568 57.3294 40.6116 178.4043 221 L 3.9823 7.8565 118.9175 57.4593 42.0915 178.8763 222 I 3.8884 7.6054 119.8579 64.8670 37.2061 178.1903 223 I 3.9188 7.4982 119.0319 63.4990 36.8597 177.8508 224 Q 4.0733 8.1999 119.5108 57.4252 30.0412 176.7121 225 A 4.6807 7.0323 122.3008 49.7041 16.5058 175.1289 226 R 4.3778 7.7966 129.2837 54.9137 33.3594 175.1297 227 G 4.0184 7.6742 103.6525 46.8791 0.0000 172.4164 228 G 3.9496 8.7891 109.8341 45.1814 0.0000 174.4857 229 V 3.5517 8.0798 120.1279 63.1878 31.7701 175.0245 230 V 4.5932 7.9241 120.9563 59.5824 35.1246 174.5747 231 E 4.2622 8.5159 117.7142 55.3615 30.4400 174.4097 232 P 4.2736 0.0000 0.0000 62.9997 31.7005 175.3278 233 S 4.5701 8.1037 113.8882 55.7085 64.7300 171.5249 234 P 4.2525 0.0000 0.0000 63.6717 30.6169 174.8190 235 S 4.3846 8.6709 115.1337 59.7577 64.6863 174.0384 236 Y 4.2811 8.0546 118.8137 56.8026 38.2942 173.9707 237 A 4.8080 8.7505 126.0296 53.2147 24.7372 176.6943 238 L 4.7530 7.7201 111.1674 55.1595 41.2705 176.6726 239 V 3.5678 7.7847 120.4176 64.1127 29.6486 174.5771 240 Q 3.4288 8.1367 129.4838 57.0262 28.6388 173.7726 *241 E 4.1630 8.3848 117.1539 56.1676 30.4602 177.9718 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 2.05 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 0.97 0.00 0.00 0.91 0.00 0.00 8 K 7.85 4.01 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.50 7.81 9 E 8.80 4.75 0.00 1.92 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 2.37 2.19 0.00 10 L 7.73 3.98 0.00 1.59 1.71 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.96 4.07 0.00 1.85 1.56 0.91 0.82 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 8.13 3.93 0.00 1.96 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 0.00 2.42 2.47 0.00 13 A 7.55 3.61 1.03 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 14 G 8.08 3.67 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 0.00 0.00 0.00 15 V 7.33 4.65 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 0.64 0.00 0.00 0.86 0.00 0.00 16 H 8.08 4.88 0.00 3.20 3.31 0.00 5.84 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 8.24 4.89 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.72 3.51 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 0.00 19 H 8.06 5.08 0.00 3.04 2.23 0.00 5.99 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.29 3.96 0.00 1.92 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 2.45 0.00 21 R 8.19 4.37 0.00 2.08 1.98 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 22 K 9.08 3.74 0.00 1.89 1.89 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.54 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.26 7.81 23 R 7.56 4.81 0.00 1.74 1.88 0.00 3.27 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 1.55 1.55 0.00 24 W 8.28 4.79 0.00 3.47 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.00 3.94 0.00 2.56 2.70 0.00 0.00 6.62 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 1.86 1.68 0.00 3.26 0.00 0.00 2.48 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 8.22 3.89 0.00 1.85 1.81 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.33 7.81 28 F 8.46 4.19 0.00 2.99 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 29 A 7.68 4.44 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 30 R 7.33 4.15 0.00 1.68 1.80 0.00 2.67 0.00 0.00 2.94 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 31 Y 7.04 5.01 0.00 2.10 2.53 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 32 I 7.75 4.89 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 1.06 0.00 0.00 33 Y 8.67 4.51 0.00 2.97 3.16 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 34 A 7.15 4.25 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.14 5.37 0.00 1.67 1.64 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 2.13 2.19 0.00 36 R 8.18 4.20 0.00 1.94 1.82 0.00 3.43 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 37 N 9.88 4.22 0.00 2.83 2.86 0.00 0.00 7.45 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 8.26 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 0.00 0.00 0.00 39 I 7.74 4.10 1.93 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 1.26 0.75 0.91 0.00 0.00 40 H 8.36 4.68 0.00 3.59 3.33 0.00 5.79 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 41 I 8.99 4.30 1.88 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 0.97 0.24 0.91 0.00 0.00 42 I 8.24 4.49 2.15 0.00 0.00 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 1.42 1.14 1.06 0.00 0.00 43 D 8.59 4.47 0.00 3.20 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 44 L 8.78 4.27 0.00 1.75 1.70 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.14 3.94 0.00 2.07 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 46 K 8.01 4.16 0.00 2.05 1.79 0.00 1.80 0.00 0.00 2.00 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.49 7.81 47 T 7.50 3.82 4.39 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 1.33 0.00 0.00 48 M 8.46 4.07 0.00 2.21 2.06 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 2.61 2.59 0.00 49 E 7.71 4.40 0.00 1.99 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 2.34 2.57 0.00 50 E 7.95 4.07 0.00 2.02 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 2.13 2.08 0.00 51 L 8.06 3.92 0.00 1.98 2.04 1.03 1.25 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 52 E 8.88 3.96 0.00 2.02 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 2.36 2.39 0.00 53 R 8.00 4.04 0.00 2.06 1.94 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 54 T 8.13 3.72 3.92 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 0.83 0.00 0.00 55 F 8.32 4.12 0.00 3.19 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 56 R 8.24 3.79 0.00 1.87 2.06 0.00 3.33 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 57 F 7.52 4.38 0.00 2.33 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.35 3.39 1.86 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 1.31 0.42 0.92 0.00 0.00 59 E 8.85 4.02 0.00 2.01 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 0.00 2.28 2.30 0.00 60 D 7.34 4.52 0.00 2.80 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 61 L 7.22 4.32 0.00 1.16 1.44 0.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.56 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.86 4.53 0.00 2.18 2.14 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 2.52 2.66 0.00 64 R 7.45 4.45 0.00 1.87 1.95 0.00 3.14 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 65 G 7.70 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.56 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 0.00 0.00 0.00 67 T 8.23 4.51 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 68 I 8.37 4.68 1.86 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 1.10 0.47 0.27 0.00 0.00 69 L 8.07 4.93 0.00 1.90 1.60 1.25 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.07 5.02 0.00 3.15 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 71 V 8.53 4.81 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 1.09 0.00 0.00 0.92 0.00 0.00 72 G 8.35 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 0.00 0.00 0.00 0.00 73 T 9.44 4.92 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 74 K 7.72 4.42 0.00 1.95 1.97 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.40 7.81 75 K 8.95 3.78 0.00 1.78 1.88 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.45 7.81 76 Q 8.04 4.28 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 77 A 7.92 4.43 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 78 Q 7.46 4.20 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 79 D 8.22 4.40 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.66 3.80 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 1.48 0.54 0.85 0.00 0.00 81 V 7.68 4.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 82 R 7.94 3.15 0.00 2.02 1.91 0.00 3.21 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 83 M 8.24 4.25 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 84 E 7.84 3.64 0.00 1.72 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 85 A 7.16 3.59 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.43 3.87 0.00 2.04 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 2.40 2.22 0.00 87 R 8.00 4.19 0.00 1.80 1.87 0.00 3.33 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 88 A 7.74 4.52 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 89 G 7.97 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 7.57 4.97 0.00 2.53 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 91 P 0.00 4.96 0.00 2.24 2.15 0.00 3.98 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 92 Y 7.99 5.70 0.00 3.16 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 93 V 8.42 4.27 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 1.08 0.00 0.00 1.09 0.00 0.00 94 N 9.06 4.95 0.00 3.22 2.96 0.00 0.00 7.15 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 7.80 4.68 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 96 R 8.72 4.18 0.00 1.68 1.82 0.00 3.35 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 97 W 8.65 4.28 0.00 3.18 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 98 L 7.59 3.72 0.00 1.17 1.29 0.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.12 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 0.00 100 G 10.21 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 0.00 101 M 7.26 3.87 0.00 1.55 1.14 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 102 L 7.99 4.02 0.00 1.78 1.79 1.32 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.06 4.02 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 1.26 0.00 0.00 104 N 8.55 5.11 0.00 2.74 2.82 0.00 0.00 6.87 8.05 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 0.00 105 F 7.90 5.44 0.00 3.35 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.06 3.99 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 107 T 7.49 5.21 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 108 I 7.72 3.80 2.08 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 1.89 1.67 0.90 0.00 0.00 109 S 7.84 4.26 0.00 3.60 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.72 4.16 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 111 R 7.44 4.49 0.00 1.89 1.99 0.00 3.34 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 112 V 7.56 3.90 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 1.05 0.00 0.00 1.09 0.00 0.00 113 H 8.07 4.46 0.00 3.12 3.33 0.00 5.85 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 0.00 114 R 7.57 4.49 0.00 1.90 2.03 0.00 3.58 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 115 L 7.60 4.02 0.00 1.82 1.86 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.11 4.10 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 117 E 8.17 3.99 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 118 L 7.39 4.58 0.00 1.88 1.72 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.10 3.99 0.00 2.09 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 2.30 2.31 0.00 120 A 8.21 4.60 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 0.00 121 L 7.72 4.57 0.00 1.77 1.68 0.94 0.73 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 0.00 122 F 7.61 4.34 0.00 3.23 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.65 3.98 1.21 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 0.00 0.00 124 S 7.56 4.55 0.00 3.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.57 0.00 2.20 2.11 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 126 E 7.86 4.30 0.00 2.01 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 2.29 2.26 0.00 127 I 7.60 3.91 1.82 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 1.26 0.65 0.89 0.00 0.00 128 E 8.42 4.09 0.00 1.88 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 2.29 2.42 0.00 129 E 7.40 4.27 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 130 R 8.73 3.71 0.00 1.96 2.01 0.00 3.40 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 131 P 0.00 4.34 0.00 2.21 2.20 0.00 3.72 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 2.08 1.98 0.00 132 K 8.74 3.88 0.00 1.84 1.87 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.56 7.81 133 K 8.15 3.86 0.00 1.80 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.50 7.81 134 E 8.21 4.20 0.00 2.02 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 7.79 3.97 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 136 V 7.67 3.63 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 1.00 0.00 0.00 1.01 0.00 0.00 137 R 7.81 3.92 0.00 2.04 1.97 0.00 3.36 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 138 L 8.22 4.34 0.00 1.75 1.75 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.23 3.93 0.00 2.16 1.84 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.65 7.81 140 H 8.29 4.13 0.00 3.57 3.33 0.00 5.86 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 0.00 141 E 8.69 3.91 0.00 2.08 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 2.33 2.37 0.00 142 L 7.90 3.89 0.00 1.92 1.96 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.74 3.81 0.00 1.98 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 2.50 2.49 0.00 144 R 8.38 3.61 0.00 1.97 2.08 0.00 2.88 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 1.72 1.77 0.00 145 L 7.96 3.93 0.00 2.03 1.85 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.53 3.87 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 147 K 7.92 3.71 0.00 1.60 1.44 0.00 1.57 0.00 0.00 1.13 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.83 1.26 7.81 148 Y 7.74 4.73 0.00 3.00 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 0.00 149 L 7.49 4.82 0.00 1.85 1.74 1.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.53 4.08 0.00 3.95 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 0.00 151 G 7.52 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 0.00 0.00 0.00 152 F 7.42 5.11 0.00 2.86 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 0.00 153 R 6.62 4.19 0.00 1.75 1.72 0.00 3.25 0.00 0.00 3.21 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 154 L 7.63 2.97 0.00 1.71 1.68 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.90 4.35 0.00 1.65 1.65 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.39 4.51 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.40 7.81 157 R 7.64 4.64 0.00 1.81 1.81 0.00 3.30 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 158 L 8.93 3.63 0.00 1.65 1.58 1.04 1.11 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 0.00 159 P 0.00 4.28 0.00 2.26 2.04 0.00 3.46 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 160 D 8.40 4.63 0.00 2.56 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 0.00 161 A 7.62 4.90 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 0.00 162 I 8.37 4.53 1.85 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 1.12 0.77 0.94 0.00 0.00 163 F 8.46 6.05 0.00 2.62 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 0.00 0.00 0.00 0.00 164 V 7.98 4.51 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 0.76 0.00 0.00 0.79 0.00 0.00 165 V 8.52 3.64 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 0.54 0.00 0.00 0.89 0.00 0.00 166 D 9.24 4.53 0.00 2.76 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 4.20 0.00 2.18 2.23 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 168 T 7.64 3.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 169 K 7.82 4.11 0.00 1.85 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 170 E 7.76 4.67 0.00 1.88 1.58 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 2.15 2.21 0.00 171 A 7.80 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 7.83 3.61 1.96 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 1.65 0.95 1.21 0.00 0.00 173 A 6.91 2.58 -0.32 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 0.00 174 V 7.50 3.34 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 0.93 0.00 0.00 0.83 0.00 0.00 175 R 7.93 3.81 0.00 1.89 2.13 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 176 E 8.32 4.03 0.00 2.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.88 0.00 177 A 8.21 4.03 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 8.02 3.69 0.00 2.08 1.94 0.00 2.91 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 179 K 8.32 4.04 0.00 1.82 1.97 0.00 1.87 0.00 0.00 1.73 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 7.60 4.47 0.00 1.90 1.81 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.43 3.81 0.00 3.16 3.51 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 0.00 182 I 7.80 4.07 1.99 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 1.29 0.54 0.99 0.00 0.00 183 P 0.00 4.39 0.00 2.40 2.13 0.00 4.12 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.12 0.00 184 V 8.51 4.90 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 0.99 0.00 0.00 0.91 0.00 0.00 185 I 9.21 5.26 1.79 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 1.48 0.99 1.14 0.00 0.00 186 A 9.22 5.11 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 0.00 187 L 9.47 5.51 0.00 1.68 1.77 0.92 0.90 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 0.00 188 A 8.21 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 0.00 189 D 8.08 5.08 0.00 2.74 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 0.00 190 T 8.17 3.68 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 191 D 7.53 4.50 0.00 2.84 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 0.00 192 S 7.26 4.69 0.00 3.61 3.60 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 0.00 193 D 8.25 4.97 0.00 2.71 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 4.27 0.00 2.31 2.21 0.00 3.84 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 195 D 9.02 3.86 0.00 2.84 2.80 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 0.00 196 L 8.33 4.33 0.00 1.62 1.68 0.96 0.67 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 0.00 197 V 7.12 4.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 198 D 8.68 4.12 0.00 2.34 1.62 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 0.00 199 Y 8.50 4.92 0.00 2.77 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 0.00 200 I 8.52 4.72 1.84 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 1.38 0.56 1.06 0.00 0.00 201 I 9.21 4.46 2.15 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 1.02 0.00 0.00 202 P 0.00 5.07 0.00 2.18 2.13 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 203 G 8.65 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 0.00 204 N 9.10 4.54 0.00 2.83 2.77 0.00 0.00 6.65 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 8.03 4.79 0.00 2.71 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 0.00 206 D 7.93 4.51 0.00 2.64 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 0.00 207 A 7.81 4.05 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 0.00 208 I 8.42 3.86 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 1.88 0.80 0.85 0.00 0.00 209 R 7.85 3.93 0.00 1.87 1.89 0.00 3.29 0.00 0.00 3.10 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 210 S 8.21 4.17 0.00 3.98 3.92 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 0.00 211 I 7.24 3.74 1.84 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 0.49 0.86 0.00 0.00 212 Q 8.30 3.84 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 213 L 7.98 3.90 0.00 1.58 1.66 0.47 0.95 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 0.00 214 I 7.47 4.40 2.05 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 1.62 1.38 1.15 0.00 0.00 215 L 8.55 4.25 0.00 2.03 1.67 0.95 0.74 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 0.00 216 S 8.34 5.02 0.00 4.02 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 0.00 217 R 8.08 4.08 0.00 1.92 1.85 0.00 3.27 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 218 A 8.06 4.48 1.71 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 0.00 219 V 8.18 3.71 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.90 0.00 0.00 220 D 8.79 4.32 0.00 2.92 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 7.86 3.98 0.00 1.77 1.78 0.92 0.88 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 0.00 222 I 7.61 3.89 2.15 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 1.65 1.09 0.98 0.00 0.00 223 I 7.50 3.92 1.87 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 1.42 1.10 0.93 0.00 0.00 224 Q 8.20 4.07 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.33 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 225 A 7.03 4.68 1.21 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 0.00 0.00 226 R 7.80 4.38 0.00 1.75 2.06 0.00 3.25 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 227 G 7.67 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.79 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 0.00 0.00 0.00 229 V 8.08 3.55 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 0.81 0.00 0.00 0.92 0.00 0.00 230 V 7.92 4.59 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 0.90 0.00 0.00 0.93 0.00 0.00 231 E 8.52 4.26 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 232 P 0.00 4.27 0.00 2.09 2.11 0.00 3.67 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 8.10 4.57 0.00 3.94 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 0.00 234 P 0.00 4.25 0.00 2.19 2.17 0.00 3.68 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 1.96 0.00 235 S 8.67 4.38 0.00 3.63 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 8.05 4.28 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 8.75 4.81 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 0.00 238 L 7.72 4.75 0.00 1.72 1.71 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.78 3.57 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 0.61 0.00 0.00 0.80 0.00 0.00 240 Q 8.14 3.43 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 *241 E 8.38 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.