NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1508 8.0549 120.3842 62.2429 35.0594 176.4179 8 K 3.8973 8.8968 120.8041 56.2783 31.7305 175.6547 9 E 4.1131 10.4041 126.1724 58.5881 35.0136 179.1060 10 L 3.4827 8.9412 113.4377 56.8231 42.5906 178.0076 11 L 3.9518 7.3792 116.4149 57.8408 41.7481 179.8446 12 E 3.6786 8.9936 119.0473 59.3363 29.7053 179.1539 13 A 3.2218 8.4399 121.5878 55.5809 18.6283 181.3579 14 G 3.8893 7.0079 103.3441 46.8845 0.0000 174.4786 15 V 4.6755 6.3321 124.2989 61.9278 34.9560 171.3635 16 H 5.4971 7.4826 114.0934 51.8479 29.7646 173.4517 17 F 4.6719 8.3725 112.8002 57.5636 40.2154 174.9851 18 G 3.9862 9.1383 110.4275 46.6971 0.0000 171.4710 19 H 4.4852 7.9566 118.9445 55.7754 31.7191 173.7726 20 E 3.5850 8.6110 127.8051 56.3290 28.8132 173.5456 21 R 4.3985 7.7129 114.5207 55.1329 31.5301 173.3255 22 K 3.6695 7.9351 118.2242 56.9324 31.1213 174.4287 23 R 4.2242 7.8226 130.5896 56.4204 30.3102 176.5969 24 W 4.9170 8.4259 126.6898 55.2525 29.2367 177.2118 25 N 4.0709 8.4549 115.6271 52.0320 39.2986 173.0629 26 P 2.9700 0.0000 0.0000 65.2791 31.1436 178.6149 27 K 3.7213 7.9399 117.4004 58.4054 32.0690 177.1736 28 F 4.2321 8.4976 119.8167 57.5549 39.8724 176.8366 29 A 4.2675 7.7895 123.4446 55.9900 18.2453 179.1966 30 R 3.9837 7.6065 111.2058 58.9136 29.9561 176.5273 31 Y 4.8937 7.6682 116.2303 58.0363 38.2068 174.7443 32 I 5.0441 7.8599 119.3577 59.9096 40.0737 174.8586 33 Y 4.6933 8.9910 123.5362 57.8155 40.7285 175.3075 34 A 4.1648 7.2938 120.0789 52.1914 21.3567 175.7649 35 E 4.2939 8.5910 118.8206 55.5169 30.0563 175.5839 36 R 3.5270 7.7374 116.3599 57.5430 29.8156 171.9460 37 N 3.8903 8.8181 129.1508 53.8163 39.9674 177.2834 38 G 3.4964 9.0753 112.8247 46.3578 0.0000 174.3268 39 I 3.6766 5.4200 119.3895 61.8877 38.5670 175.5563 40 H 4.8313 8.1604 119.9475 54.4753 29.3442 175.4977 41 I 3.7055 8.8609 126.4185 61.3059 37.6258 176.0283 42 I 4.4154 8.4012 127.8782 60.9816 39.0096 175.0793 43 D 4.6112 8.7898 127.9400 53.9431 40.9679 175.9958 44 L 4.1657 8.9647 127.0076 58.2571 42.1775 179.3826 45 Q 3.9166 8.2065 118.4042 59.3873 28.7317 178.4743 46 K 4.8444 9.2200 120.7518 58.4343 31.9789 179.2296 47 T 3.9883 7.8572 116.9277 66.6580 68.2932 176.1178 48 M 4.0668 8.4136 120.8201 58.4110 32.1665 177.8580 49 E 3.7829 8.2497 118.3334 59.6082 29.6437 179.5817 50 E 4.0332 7.8273 116.9621 59.1677 29.7050 178.5567 51 L 3.8103 7.9907 119.0980 58.0648 41.8121 179.0041 52 E 4.0569 8.9144 119.3848 59.8437 29.3279 179.0761 53 R 4.2222 7.5211 114.6422 58.7572 30.4424 178.3272 54 T 4.1999 8.3024 116.3558 66.8809 68.5002 176.9177 55 F 4.2519 8.7511 119.9220 60.1575 38.8119 177.7361 56 R 4.2348 7.6783 116.9172 59.6343 29.9990 178.6915 57 F 4.2608 8.0526 119.4490 61.0578 39.3750 177.1468 58 I 3.1585 7.4046 119.5348 64.3205 36.9400 177.6046 59 E 3.8244 9.0979 121.2901 59.0951 29.3113 177.8763 60 D 4.3099 8.1792 117.7319 57.7216 40.8201 178.7735 61 L 3.8641 7.6405 119.8534 57.7030 41.8278 178.9176 62 A 3.9354 7.6774 121.1519 55.2155 18.2896 179.5112 63 M 4.7619 8.7178 115.5620 56.7096 31.1444 177.0638 64 R 4.2770 7.4032 116.3156 56.5600 29.8772 177.1375 65 G 3.5975 8.1308 101.6763 47.6148 0.0000 174.7039 66 G 3.9744 8.2368 116.7439 43.9765 0.0000 170.4934 67 T 3.7960 7.9356 115.1469 59.2110 70.6753 172.8596 68 I 4.6663 8.3019 124.5291 59.3195 40.3215 174.6165 69 L 4.4066 8.5121 130.8363 54.7045 43.0439 175.6140 70 F 5.0244 9.3434 126.6685 56.7673 40.6535 175.1389 71 V 4.7874 9.0027 124.1925 61.1203 34.2630 174.7338 72 G 4.0697 8.7169 115.7263 45.2938 0.0000 172.4099 73 T 4.1784 9.1374 118.1877 63.8597 69.2645 175.9269 74 K 4.0298 7.8765 119.6102 56.5935 32.9398 176.1838 75 K 4.2796 8.3965 116.6650 58.2169 32.5029 179.3656 76 Q 4.0221 8.2570 117.5464 58.2418 27.8354 177.1750 77 A 4.5163 7.7042 120.2582 51.5359 19.8475 177.7588 78 Q 5.0513 8.0804 123.9642 60.6287 29.5390 175.7235 79 D 4.2664 8.3184 119.7361 55.6987 40.0996 177.8374 80 I 3.5262 7.6614 120.7414 64.0345 38.6528 176.1087 81 V 3.9510 7.0302 119.0523 62.5465 32.1469 176.1536 82 R 3.9765 7.5922 116.1799 55.9587 33.8257 175.5330 83 M 4.1675 7.3436 118.2757 57.5083 31.8288 177.7068 84 E 3.8955 8.2426 118.8788 59.0875 29.4251 179.1702 85 A 3.8333 7.6060 121.3283 54.9613 18.7037 179.2958 86 E 4.0134 8.2067 115.7783 59.3862 29.8653 179.5007 87 R 4.1213 8.1572 114.6819 57.0729 29.3001 176.3856 88 A 4.4882 7.9472 118.4411 50.6990 20.4998 178.4701 89 G 3.9789 7.8033 101.8470 45.7643 0.0000 173.2991 90 M 4.6932 7.0715 118.3312 52.8931 34.2946 174.3327 91 P 4.8131 0.0000 0.0000 63.3998 33.0497 174.7154 92 Y 5.5008 8.0267 117.4631 56.1353 41.7239 173.7545 93 V 4.6185 9.1956 122.0740 61.6812 33.8845 175.4627 94 N 5.0277 9.3116 124.5371 53.3646 40.6669 174.5514 95 Q 4.8266 8.0352 115.5303 54.7901 31.2080 177.4834 96 R 3.5032 7.7099 116.5596 56.2523 26.2058 176.1280 97 W 4.2716 8.7803 134.1881 57.7831 28.4736 174.1043 98 L 3.2391 6.8091 119.8979 51.7908 42.0167 176.9213 99 G 3.6607 8.2473 112.7092 49.4888 0.0000 173.2474 100 G 4.5008 9.3055 114.1319 43.7011 0.0000 173.8707 101 M 3.5874 7.2747 119.5394 58.8303 32.1712 179.0416 102 L 4.0793 7.5981 117.6612 58.1725 42.4320 179.1047 103 T 4.0569 8.0391 113.9648 66.7987 68.6926 174.9576 104 N 4.7381 9.0679 118.1711 54.1632 39.2263 177.2663 105 F 4.6092 7.7129 120.3294 63.1406 40.4743 177.2909 106 K 3.5096 8.3002 121.6721 59.9504 31.9585 177.8812 107 T 4.4162 8.1072 112.7908 63.8247 68.3615 176.1103 108 I 4.4077 7.2276 124.3141 62.2672 38.8912 177.7590 109 S 4.2284 8.1307 115.5738 60.7289 62.6361 176.3563 110 Q 4.1672 8.1507 120.7900 58.2503 28.2568 177.5969 111 R 4.4767 7.6629 116.4589 56.4933 30.7713 177.5556 112 V 4.0856 7.3405 118.2075 64.4770 32.2564 177.0948 113 H 4.9569 8.5019 118.4303 59.0192 29.7812 176.7988 114 R 4.2515 7.4532 114.8991 56.8311 29.7176 176.7983 115 L 4.1712 7.6458 120.2823 58.1949 42.5494 178.4625 116 E 4.1321 8.2285 116.8518 58.7039 29.8007 178.1191 117 E 4.1438 8.1541 117.3344 57.7167 29.5210 177.6269 118 L 4.2712 7.1832 116.6222 55.0038 43.2340 177.6975 119 E 4.1640 8.8386 119.7014 58.1040 29.2776 178.3160 120 A 4.0430 7.8441 120.0823 55.0227 18.7962 178.5305 121 L 4.2441 7.1211 114.5877 54.4243 42.4592 177.9440 122 F 5.1734 8.3664 123.8639 57.6925 39.3199 178.1339 123 A 3.9160 8.2421 125.3377 51.6037 17.6337 176.8378 124 S 4.5209 7.6677 114.7112 58.1266 65.0226 174.6800 125 P 4.4027 0.0000 0.0000 63.3889 30.4312 176.6838 126 E 4.5323 7.9051 116.4935 57.0600 29.9970 175.9958 127 I 4.3458 7.4133 119.2066 61.2508 38.7184 177.0710 128 E 3.9537 8.6103 121.9392 57.6756 27.7792 176.9242 129 E 4.1199 8.5989 115.9346 54.1319 31.4932 172.4074 130 R 3.6680 7.9337 125.1939 54.6337 30.8555 174.0923 131 P 4.1861 0.0000 0.0000 62.8796 30.8814 176.8818 132 K 3.9909 8.6608 125.0870 58.3130 32.1776 176.9643 133 K 4.4968 7.8808 116.4562 57.0797 32.1046 177.0181 134 E 4.7062 8.8421 116.7780 55.6739 34.6409 176.6032 135 Q 4.0278 7.4691 118.8726 59.0553 28.7072 178.4131 136 V 3.6982 7.6336 119.4096 65.9086 31.8858 178.5931 137 R 3.9163 7.9426 118.3403 59.2039 29.9501 177.8836 138 L 3.9701 8.2280 119.3194 58.2207 41.5009 179.8843 139 K 3.9844 7.4576 115.5599 59.5753 31.9285 178.5836 140 H 4.3288 8.0479 118.2061 59.3012 29.7697 176.6572 141 E 3.7414 8.6284 121.4450 59.1560 29.3567 178.1865 142 L 3.9767 7.9379 118.0764 56.8603 42.4014 178.1485 143 E 4.2367 8.4174 118.6306 59.4691 29.8930 178.5529 144 R 3.6096 7.3705 115.7404 59.3522 29.6389 178.6242 145 L 4.1080 7.9446 119.5217 57.4808 41.4067 178.4419 146 Q 4.3496 7.4107 115.7394 56.4887 28.8552 175.9305 147 K 4.4013 8.3265 119.2533 57.0032 34.7561 176.8130 148 Y 4.6117 7.7355 115.8306 60.5214 38.6282 177.1620 149 L 4.4394 8.3641 116.7996 56.3897 41.1249 179.9333 150 S 3.5586 6.8393 109.6666 60.6901 63.7241 175.0881 151 G 2.6824 7.0635 106.1096 44.0116 0.0000 174.4274 152 F 4.6470 8.4154 125.2657 60.4022 39.4143 177.6695 153 R 3.8489 8.0510 116.5816 59.7341 29.9170 177.2784 154 L 3.7856 7.9444 116.1451 57.6785 41.9293 176.5236 155 L 3.8389 7.5588 126.5914 55.9773 41.7840 176.8288 156 K 4.7102 8.1014 124.2035 55.2473 33.0919 176.1061 157 R 4.7354 8.1761 115.0459 55.9383 32.4970 173.5810 158 L 3.4779 8.6484 123.3027 53.3781 41.9057 175.4325 159 P 4.5950 0.0000 0.0000 62.6223 31.7613 175.6470 160 D 4.7370 8.7514 117.0968 53.4672 40.9473 176.2135 161 A 4.7193 7.1535 121.1409 52.5723 22.7074 175.2904 162 I 4.6526 7.7416 110.4052 59.9774 41.3456 173.6759 163 F 6.0745 8.4874 128.3187 55.9047 41.1166 174.3565 164 V 4.3112 8.0362 125.3107 61.7909 34.2074 174.8703 165 V 3.6354 8.3619 119.0151 62.4447 31.0619 176.0202 166 D 4.5279 7.5131 127.9677 52.1463 41.6181 175.0374 167 P 3.6421 0.0000 0.0000 66.9354 31.5656 177.2592 168 T 3.8864 7.5331 108.6945 63.9081 69.7914 177.2134 169 K 4.0062 7.8628 122.2701 58.9528 32.4412 177.5858 170 E 4.5685 7.6903 117.4463 55.9257 30.0845 177.5169 171 A 4.0643 8.9669 122.0007 53.8660 18.3579 179.3486 172 I 3.8838 7.6309 118.2523 63.6214 37.0317 177.5842 173 A 2.9162 7.3457 121.6259 53.9032 18.7353 179.3798 174 V 3.2447 7.1834 115.7117 66.2071 31.6563 178.2559 175 R 3.7830 8.2300 118.4239 59.3839 29.9452 177.8763 176 E 3.9882 7.7805 119.0640 59.3214 29.4640 178.7679 177 A 3.9663 8.8390 121.6690 55.3739 18.6740 179.3069 178 R 3.4607 7.9295 117.2256 59.7864 29.7414 178.1784 179 K 3.9073 7.7746 117.1379 57.8679 32.2173 177.1253 180 L 4.4403 8.2680 118.0638 53.9254 42.6080 176.1115 181 F 3.7721 7.1608 115.3573 59.0537 36.2450 176.1511 182 I 4.4914 7.3982 119.6868 58.6961 39.2965 174.3174 183 P 4.2682 0.0000 0.0000 63.0888 32.5993 175.2570 184 V 4.7108 8.9889 123.8438 61.0984 33.8053 174.1102 185 I 5.4837 9.0264 121.5750 58.5042 40.2017 174.4790 186 A 4.7921 8.5129 125.1412 50.2818 22.5943 175.5081 187 L 4.6112 7.9193 123.5992 54.1080 39.4316 175.4350 188 A 4.4159 7.9093 125.8458 52.2440 20.9222 177.2675 189 D 4.2337 7.7002 115.3336 53.4774 41.6644 176.2564 190 T 3.2128 7.9550 108.0270 64.7795 68.6410 174.5292 191 D 4.3756 7.3431 120.5063 55.9609 41.1452 174.9984 192 S 4.5428 7.5879 113.1593 58.3825 67.2828 172.4102 193 D 5.0444 8.3339 120.8148 50.9001 40.7205 173.9549 194 P 4.0777 0.0000 0.0000 66.3190 30.6676 181.9662 195 D 3.6710 6.7221 116.1953 54.6473 43.0734 175.2294 196 L 4.2868 7.6119 121.6754 55.9802 40.7878 176.9438 197 V 4.2822 8.0749 119.1179 61.4518 33.2210 174.6789 198 D 4.1496 8.8180 127.7065 57.0275 41.0472 176.6691 199 Y 4.4268 8.5701 123.1859 56.2771 39.9580 174.4126 200 I 4.4671 8.2358 125.2096 60.4777 38.0959 176.9275 201 I 4.4077 8.3676 127.9676 58.4661 36.4385 171.1668 202 P 4.6738 0.0000 0.0000 64.1381 31.6273 176.9122 203 G 4.3176 9.7663 115.2529 45.5165 0.0000 170.9931 204 N 4.4456 8.9333 119.3442 54.0883 39.0725 174.1626 205 D 4.8655 8.7038 120.1344 52.8938 41.1824 176.8937 206 D 4.6178 9.1107 119.6020 56.2598 41.6985 177.7253 207 A 4.2306 7.8850 120.9250 51.6656 20.0208 178.0546 208 I 3.9445 8.2178 123.5935 62.8600 36.7815 178.7559 209 R 3.7936 7.7647 119.9943 58.8900 30.0209 178.6937 210 S 4.3612 7.8811 114.3286 61.6267 63.2641 176.3569 211 I 3.6983 7.5394 122.1663 64.1429 36.6416 177.7402 212 Q 4.0206 7.5544 119.6395 58.4792 29.3877 177.0586 213 L 3.8857 7.4980 120.3608 58.4146 41.6766 179.0801 214 I 4.0923 7.5934 118.6155 64.1737 37.3580 178.0347 215 L 4.4841 7.8319 118.4620 57.4613 41.3150 178.5168 216 S 4.7611 8.5402 116.4304 59.3500 62.4949 175.0496 217 R 4.3328 8.2811 120.0890 57.1390 30.4267 178.5119 218 A 4.5042 8.3730 122.0452 55.0574 19.2456 179.9218 219 V 3.6507 7.4127 116.2233 66.5325 31.1059 177.0704 220 D 4.3669 8.1836 118.7929 57.1035 40.1655 178.0226 221 L 4.1133 7.8750 118.9086 58.0696 41.6798 178.8573 222 I 3.9542 7.8135 121.5903 63.1180 36.6340 176.3745 223 I 4.2325 7.8206 114.4230 62.0436 38.6246 176.6108 224 Q 4.8983 7.9675 120.6345 57.6767 30.4057 176.7137 225 A 4.1202 7.8072 123.1657 53.9282 18.7093 178.6563 226 R 4.2242 8.2460 110.6976 55.0987 30.3605 175.0154 227 G 3.3411 8.7588 107.1235 48.7205 0.0000 172.5145 228 G 3.7248 9.3435 112.9590 44.2881 0.0000 170.9719 229 V 4.6120 7.6790 115.9035 62.0226 34.2162 173.4882 230 V 4.4655 7.8972 116.4776 60.3301 35.5328 173.7831 231 E 4.6908 8.3095 117.4234 53.9256 31.6350 172.9404 232 P 4.2706 0.0000 0.0000 61.9918 30.5353 175.9848 233 S 4.0523 8.3039 117.3215 56.7960 62.8981 171.8391 234 P 4.2630 0.0000 0.0000 63.6962 30.2842 175.8304 235 S 4.5731 8.7099 116.8158 58.0633 63.3609 174.5091 236 Y 4.4637 7.5087 118.4298 56.0538 38.1748 174.6257 237 A 4.1432 8.4137 126.7283 54.4022 19.0490 178.1465 238 L 4.6907 7.9666 115.7990 55.6492 41.5475 173.1283 239 V 3.4711 7.9756 120.1688 63.6759 32.2167 177.3077 240 Q 3.3975 9.2204 133.4913 57.5346 26.7372 174.6064 *241 E 4.1515 9.3637 121.3165 56.8171 30.4602 177.7735 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 4.15 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 8.90 3.90 0.00 1.89 1.33 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.39 7.81 9 E 10.40 4.11 0.00 2.00 1.65 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 2.32 2.25 0.00 10 L 8.94 3.48 0.00 1.76 1.80 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.38 3.95 0.00 1.87 1.65 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.99 3.68 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 13 A 8.44 3.22 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 14 G 7.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.33 4.68 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 0.66 0.00 0.00 0.79 0.00 0.00 16 H 7.48 5.50 0.00 3.12 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.37 4.67 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 9.14 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 19 H 7.96 4.49 0.00 3.12 3.14 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.61 3.59 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 21 R 7.71 4.40 0.00 1.86 1.83 0.00 3.14 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 22 K 7.94 3.67 0.00 1.86 1.77 0.00 1.71 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.29 7.81 23 R 7.82 4.22 0.00 1.79 1.93 0.00 3.19 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 24 W 8.43 4.92 0.00 3.55 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.45 4.07 0.00 2.59 2.58 0.00 0.00 6.63 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 1.93 1.88 0.00 3.32 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 27 K 7.94 3.72 0.00 1.85 1.84 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.35 7.81 28 F 8.50 4.23 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.79 4.27 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.61 3.98 0.00 1.61 1.82 0.00 2.57 0.00 0.00 2.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 31 Y 7.67 4.89 0.00 2.52 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.86 5.04 2.26 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 1.10 0.00 0.00 33 Y 8.99 4.69 0.00 2.91 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 34 A 7.29 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.59 4.29 0.00 1.74 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 36 R 7.74 3.53 0.00 1.78 1.90 0.00 3.40 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 37 N 8.82 3.89 0.00 2.85 2.75 0.00 0.00 7.26 8.15 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 38 G 9.08 3.50 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 0.00 39 I 5.42 3.68 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.89 0.00 0.00 40 H 8.16 4.83 0.00 3.10 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.86 3.71 2.04 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 1.07 0.55 1.05 0.00 0.00 42 I 8.40 4.42 2.09 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 1.46 1.31 1.18 0.00 0.00 43 D 8.79 4.61 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.96 4.17 0.00 1.76 1.68 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.21 3.92 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 46 K 9.22 4.84 0.00 2.01 1.95 0.00 2.01 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.54 7.81 47 T 7.86 3.99 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 48 M 8.41 4.07 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 49 E 8.25 3.78 0.00 2.06 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 2.43 2.46 0.00 50 E 7.83 4.03 0.00 2.12 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 2.43 2.03 0.00 51 L 7.99 3.81 0.00 1.96 2.09 1.03 1.05 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 52 E 8.91 4.06 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 53 R 7.52 4.22 0.00 2.06 2.12 0.00 3.52 0.00 0.00 3.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 54 T 8.30 4.20 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 55 F 8.75 4.25 0.00 3.04 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 56 R 7.68 4.23 0.00 2.09 2.06 0.00 3.33 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.88 0.00 57 F 8.05 4.26 0.00 2.45 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 58 I 7.40 3.16 2.12 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.86 0.00 0.00 59 E 9.10 3.82 0.00 1.94 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 2.29 2.30 0.00 60 D 8.18 4.31 0.00 2.94 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 61 L 7.64 3.86 0.00 1.38 1.38 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.68 3.94 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 63 M 8.72 4.76 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 64 R 7.40 4.28 0.00 1.84 2.00 0.00 3.14 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 65 G 8.13 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 0.00 0.00 0.00 66 G 8.24 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 67 T 7.94 3.80 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 1.24 0.00 0.00 68 I 8.30 4.67 2.17 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.79 0.00 0.00 69 L 8.51 4.41 0.00 1.88 1.68 1.12 1.10 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 70 F 9.34 5.02 0.00 3.39 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 9.00 4.79 1.93 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 0.79 0.00 0.00 1.07 0.00 0.00 72 G 8.72 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 73 T 9.14 4.18 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 1.28 0.00 0.00 74 K 7.88 4.03 0.00 1.88 1.91 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.42 7.81 75 K 8.40 4.28 0.00 1.81 1.89 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.41 7.81 76 Q 8.26 4.02 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 77 A 7.70 4.52 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 8.08 5.05 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.28 0.00 79 D 8.32 4.27 0.00 2.69 2.51 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 80 I 7.66 3.53 1.82 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 1.51 1.31 0.88 0.00 0.00 81 V 7.03 3.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.05 0.00 0.00 82 R 7.59 3.98 0.00 1.63 1.59 0.00 2.98 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.59 0.00 83 M 7.34 4.17 0.00 2.01 2.04 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 2.76 2.50 0.00 84 E 8.24 3.90 0.00 1.88 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 2.53 2.58 0.00 85 A 7.61 3.83 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 86 E 8.21 4.01 0.00 2.06 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 2.48 2.27 0.00 87 R 8.16 4.12 0.00 1.85 1.89 0.00 3.33 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 88 A 7.95 4.49 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 89 G 7.80 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 7.07 4.69 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 91 P 0.00 4.81 0.00 2.21 2.23 0.00 3.75 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 2.16 2.15 0.00 92 Y 8.03 5.50 0.00 3.26 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 93 V 9.20 4.62 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 0.97 0.00 0.00 1.07 0.00 0.00 94 N 9.31 5.03 0.00 2.95 2.91 0.00 0.00 6.96 7.63 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 95 Q 8.04 4.83 0.00 2.47 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.56 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 96 R 7.71 3.50 0.00 1.57 2.00 0.00 3.36 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 97 W 8.78 4.27 0.00 3.24 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 6.81 3.24 0.00 1.23 1.21 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.25 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 0.00 0.00 0.00 100 G 9.31 4.50 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 0.00 101 M 7.27 3.59 0.00 1.30 0.63 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 102 L 7.60 4.08 0.00 1.85 1.84 1.28 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.04 4.06 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 1.25 0.00 0.00 104 N 9.07 4.74 0.00 2.68 2.87 0.00 0.00 6.95 7.67 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 0.00 105 F 7.71 4.61 0.00 3.32 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 8.30 3.51 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.35 7.81 107 T 8.11 4.42 4.54 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 1.20 0.00 0.00 108 I 7.23 4.41 2.16 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 1.72 1.04 1.27 0.00 0.00 109 S 8.13 4.23 0.00 3.67 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 0.00 110 Q 8.15 4.17 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 111 R 7.66 4.48 0.00 1.97 2.01 0.00 3.32 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 112 V 7.34 4.09 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 1.06 0.00 0.00 1.02 0.00 0.00 113 H 8.50 4.96 0.00 3.13 3.46 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.45 4.25 0.00 1.82 1.89 0.00 3.18 0.00 0.00 3.05 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 115 L 7.65 4.17 0.00 1.83 1.89 0.92 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 0.00 116 E 8.23 4.13 0.00 2.17 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 0.00 2.43 2.43 0.00 117 E 8.15 4.14 0.00 2.00 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 2.24 0.00 118 L 7.18 4.27 0.00 1.90 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.84 4.16 0.00 2.08 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 2.15 2.11 0.00 120 A 7.84 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.12 4.24 0.00 1.83 1.73 0.94 0.84 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 0.00 122 F 8.37 5.17 0.00 3.03 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 0.00 0.00 0.00 0.00 123 A 8.24 3.92 0.95 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 0.00 124 S 7.67 4.52 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.40 0.00 2.22 2.11 0.00 3.79 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 7.91 4.53 0.00 2.00 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 2.26 2.26 0.00 127 I 7.41 4.35 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 1.38 0.75 0.88 0.00 0.00 128 E 8.61 3.95 0.00 1.90 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 129 E 8.60 4.12 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 130 R 7.93 3.67 0.00 1.96 1.94 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 131 P 0.00 4.19 0.00 2.21 2.24 0.00 3.71 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 2.08 1.97 0.00 132 K 8.66 3.99 0.00 1.73 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.57 7.81 133 K 7.88 4.50 0.00 1.79 1.81 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.40 7.81 134 E 8.84 4.71 0.00 2.11 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 2.24 2.43 0.00 135 Q 7.47 4.03 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 136 V 7.63 3.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 137 R 7.94 3.92 0.00 1.90 1.99 0.00 3.71 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 138 L 8.23 3.97 0.00 1.87 1.75 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.46 3.98 0.00 2.05 1.92 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.62 7.81 140 H 8.05 4.33 0.00 3.26 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.63 3.74 0.00 2.04 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 2.32 2.33 0.00 142 L 7.94 3.98 0.00 1.67 1.71 0.91 1.40 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 0.00 143 E 8.42 4.24 0.00 2.19 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 2.62 2.46 0.00 144 R 7.37 3.61 0.00 1.82 2.10 0.00 2.87 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 145 L 7.94 4.11 0.00 1.69 1.81 0.98 0.79 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 7.41 4.35 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 147 K 8.33 4.40 0.00 1.48 1.50 0.00 1.06 0.00 0.00 0.93 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.33 7.81 148 Y 7.74 4.61 0.00 3.07 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 0.00 149 L 8.36 4.44 0.00 2.00 1.84 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 150 S 6.84 3.56 0.00 4.16 4.09 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 0.00 151 G 7.06 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 0.00 0.00 0.00 152 F 8.42 4.65 0.00 2.88 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 0.00 153 R 8.05 3.85 0.00 1.78 2.00 0.00 3.28 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.00 0.00 154 L 7.94 3.79 0.00 1.75 1.70 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.56 3.84 0.00 1.55 1.35 0.54 0.74 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 0.00 156 K 8.10 4.71 0.00 1.75 1.76 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.70 7.81 157 R 8.18 4.74 0.00 1.80 1.81 0.00 3.32 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 1.58 0.00 158 L 8.65 3.48 0.00 1.72 1.62 1.13 1.16 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 0.00 159 P 0.00 4.60 0.00 2.17 2.16 0.00 3.70 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 160 D 8.75 4.74 0.00 2.97 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 0.00 161 A 7.15 4.72 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 0.00 162 I 7.74 4.65 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.40 0.96 0.00 0.00 163 F 8.49 6.07 0.00 2.25 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 8.04 4.31 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 0.97 0.00 0.00 0.77 0.00 0.00 165 V 8.36 3.64 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 0.60 0.00 0.00 0.86 0.00 0.00 166 D 7.51 4.53 0.00 2.77 2.63 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 0.00 167 P 0.00 3.64 0.00 2.19 1.95 0.00 3.74 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 1.92 2.04 0.00 168 T 7.53 3.89 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 1.17 0.00 0.00 169 K 7.86 4.01 0.00 1.84 1.97 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 170 E 7.69 4.57 0.00 1.85 1.61 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 2.14 2.20 0.00 171 A 8.97 4.06 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 0.00 172 I 7.63 3.88 1.99 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 1.62 0.58 1.06 0.00 0.00 173 A 7.35 2.92 -0.73 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 0.00 0.00 174 V 7.18 3.24 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 0.96 0.00 0.00 0.88 0.00 0.00 175 R 8.23 3.78 0.00 1.92 1.89 0.00 3.33 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 176 E 7.78 3.99 0.00 2.51 2.42 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 2.71 2.51 0.00 177 A 8.84 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 7.93 3.46 0.00 2.12 2.04 0.00 3.11 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 179 K 7.77 3.91 0.00 1.86 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.37 7.81 180 L 8.27 4.44 0.00 1.65 1.71 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.16 3.77 0.00 3.30 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 0.00 182 I 7.40 4.49 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 1.00 0.00 0.00 183 P 0.00 4.27 0.00 2.35 1.94 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 184 V 8.99 4.71 2.22 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 1.12 0.00 0.00 0.92 0.00 0.00 185 I 9.03 5.48 1.75 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 2.39 1.02 0.00 0.00 186 A 8.51 4.79 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 0.00 187 L 7.92 4.61 0.00 1.36 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.91 4.42 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 0.00 0.00 0.00 0.00 0.00 189 D 7.70 4.23 0.00 2.51 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 0.00 190 T 7.96 3.21 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 191 D 7.34 4.38 0.00 2.52 2.63 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 0.00 192 S 7.59 4.54 0.00 3.82 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 D 8.33 5.04 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.08 0.00 2.24 2.43 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 195 D 6.72 3.67 0.00 2.87 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 0.00 196 L 7.61 4.29 0.00 1.69 1.72 1.08 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 197 V 8.07 4.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 198 D 8.82 4.15 0.00 2.82 2.12 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 0.00 199 Y 8.57 4.43 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 8.24 4.47 1.74 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.84 0.00 0.00 201 I 8.37 4.41 2.09 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 1.52 1.55 0.97 0.00 0.00 202 P 0.00 4.67 0.00 1.90 1.18 0.00 3.74 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.42 0.00 203 G 9.77 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 N 8.93 4.45 0.00 2.79 2.90 0.00 0.00 6.78 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 8.70 4.87 0.00 2.84 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 0.00 206 D 9.11 4.62 0.00 2.75 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 7.88 4.23 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 0.00 208 I 8.22 3.94 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 1.75 0.81 0.85 0.00 0.00 209 R 7.76 3.79 0.00 1.83 1.82 0.00 3.23 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 210 S 7.88 4.36 0.00 3.91 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 0.00 211 I 7.54 3.70 1.85 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 1.48 1.56 0.88 0.00 0.00 212 Q 7.55 4.02 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 213 L 7.50 3.89 0.00 1.81 1.68 0.57 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.59 4.09 1.95 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 1.90 0.93 1.08 0.00 0.00 215 L 7.83 4.48 0.00 2.04 1.81 0.97 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.54 4.76 0.00 4.15 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 0.00 217 R 8.28 4.33 0.00 1.91 1.81 0.00 3.28 0.00 0.00 3.34 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 218 A 8.37 4.50 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 0.00 0.00 0.00 0.00 0.00 219 V 7.41 3.65 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 1.07 0.00 0.00 1.10 0.00 0.00 220 D 8.18 4.37 0.00 2.93 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 L 7.87 4.11 0.00 1.73 1.70 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 222 I 7.81 3.95 2.03 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 1.66 1.04 0.93 0.00 0.00 223 I 7.82 4.23 1.86 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 1.64 0.52 0.90 0.00 0.00 224 Q 7.97 4.90 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 225 A 7.81 4.12 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 0.00 226 R 8.25 4.22 0.00 1.91 2.24 0.00 3.12 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 227 G 8.76 3.34 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 0.00 228 G 9.34 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 V 7.68 4.61 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 0.76 0.00 0.00 0.91 0.00 0.00 230 V 7.90 4.47 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 0.78 0.00 0.00 0.92 0.00 0.00 231 E 8.31 4.69 0.00 2.04 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 2.17 2.23 0.00 232 P 0.00 4.27 0.00 2.09 2.13 0.00 3.72 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 2.05 2.11 0.00 233 S 8.30 4.05 0.00 3.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 P 0.00 4.26 0.00 2.23 2.13 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 235 S 8.71 4.57 0.00 3.71 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 0.00 236 Y 7.51 4.46 0.00 2.92 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 0.00 237 A 8.41 4.14 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 7.97 4.69 0.00 1.75 1.73 0.93 0.58 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 0.00 239 V 7.98 3.47 2.43 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 0.85 0.00 0.00 0.78 0.00 0.00 240 Q 9.22 3.40 0.00 2.31 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 *241 E 9.36 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.