NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0024 8.0549 120.3868 62.7114 33.1267 176.1778 8 K 3.5626 7.7811 118.5863 57.5711 31.7763 176.8012 9 E 3.3041 8.1580 115.4619 56.9986 31.4583 179.4725 10 L 3.7453 7.5691 119.8234 58.2955 42.4124 178.8004 11 L 3.8680 7.9157 118.6263 58.7213 41.6828 179.1720 12 E 3.7958 8.1431 116.8013 59.6549 29.3603 179.1979 13 A 3.4015 8.1949 121.8869 55.7495 18.4402 178.7687 14 G 3.7293 7.7253 104.4370 45.9239 0.0000 174.4722 15 V 4.5500 7.1212 111.5171 59.7366 34.3585 173.7803 16 H 5.0613 8.2807 113.9164 53.7376 30.1839 173.2704 17 F 4.7796 8.7315 112.0675 56.8355 40.5336 169.9338 18 G 4.2784 9.1016 118.7076 43.3288 0.0000 171.1703 19 H 4.8607 8.1548 127.4062 55.1567 33.7394 174.4137 20 E 3.9575 8.6300 114.9920 55.0454 30.6881 175.2368 21 R 4.6574 8.1439 118.2662 55.2882 32.7154 175.4545 22 K 3.9123 9.1908 119.1082 57.2215 30.6248 175.4629 23 R 4.8264 7.6890 116.8827 54.8626 30.3367 173.7457 24 W 5.0271 8.3155 118.4414 55.6344 30.0614 175.1547 25 N 4.3429 8.4219 115.4273 51.3843 41.1989 174.3019 26 P 2.9700 0.0000 0.0000 65.1926 31.7426 177.7010 27 K 3.8996 8.7035 119.2044 59.5722 31.9586 179.2433 28 F 4.0259 7.9521 116.2701 58.7697 38.4713 176.2861 29 A 4.5519 8.2302 123.1291 53.4388 18.4519 179.7580 30 R 4.0778 7.5965 111.4410 57.7427 29.9829 176.3426 31 Y 4.7510 6.6320 116.6028 55.2405 37.4985 173.6413 32 I 4.3358 7.5906 122.1042 60.9607 41.0249 172.7660 33 Y 4.3391 9.6099 130.0764 59.2328 39.0597 174.6225 34 A 4.2310 7.3126 119.2491 51.9835 21.7799 174.4042 35 E 5.0062 8.2152 118.3832 53.7320 29.4794 173.9541 36 R 4.0908 8.0804 123.0702 55.9364 30.8890 175.9650 37 N 4.0656 9.7835 119.3565 53.7118 37.8541 172.6663 38 G 3.6279 7.4994 107.7366 45.6805 0.0000 175.2649 39 I 3.9185 7.4636 122.8692 60.9332 38.9135 174.5794 40 H 4.7048 8.3926 121.8233 55.3595 29.9962 174.9230 41 I 3.9413 9.4095 127.0801 59.5795 37.2154 175.0303 42 I 4.0976 8.1954 127.3804 61.0360 39.0524 175.1596 43 D 4.6003 9.0343 128.2138 53.6007 40.8048 176.5958 44 L 4.5714 8.5895 129.7375 57.1149 41.6653 178.7737 45 Q 3.8888 8.2370 119.3272 59.4540 28.8810 179.0658 46 K 4.7160 8.7105 121.6137 59.5753 32.1684 178.3293 47 T 3.6253 7.8699 115.3372 67.4674 68.3853 175.4429 48 M 3.7656 8.6949 119.1484 59.0220 32.5557 178.2073 49 E 3.9456 7.9206 117.5996 59.8700 29.8567 179.7946 50 E 4.0248 8.0565 117.9461 59.2065 29.4190 179.0283 51 L 4.0193 8.0614 119.4704 58.3592 41.8822 178.5024 52 E 3.8701 8.8433 115.8217 59.4685 29.1809 178.8796 53 R 3.9571 7.0084 116.6352 60.2571 30.9602 177.6610 54 T 3.8746 8.1994 115.6445 66.6513 67.7616 176.4467 55 F 4.0192 8.5573 119.6758 60.5720 38.9669 177.7469 56 R 4.0516 8.6015 118.1773 59.5238 29.7352 178.4491 57 F 4.2953 7.8583 118.3506 61.4245 39.4225 176.5936 58 I 3.4339 7.6884 119.5790 64.4411 37.0012 177.9386 59 E 4.0424 9.3881 119.9918 59.2726 29.3351 177.8701 60 D 4.4972 8.5511 114.7866 55.2595 41.3209 175.8386 61 L 4.3305 7.5101 119.1919 56.6883 44.2079 178.1880 62 A 4.0501 8.8612 121.4577 54.3314 18.3105 177.6502 63 M 4.4210 7.8609 111.3783 55.2016 31.9444 176.5185 64 R 4.4857 7.6921 116.5097 55.8663 30.1531 175.7880 65 G 3.8998 8.2594 103.1030 47.9520 0.0000 174.5706 66 G 4.1185 7.8790 106.1588 43.4020 0.0000 173.0390 67 T 4.5089 8.3450 113.6222 60.8408 70.8110 173.6281 68 I 4.8247 8.4413 123.6550 59.4394 41.0240 174.5884 69 L 5.0906 8.3981 126.9052 53.6693 44.3349 175.2432 70 F 5.7023 9.3269 125.0626 55.9454 40.9579 175.3380 71 V 5.0005 8.1732 120.5119 61.8909 35.5218 174.2196 72 G 4.1200 9.3232 113.2973 46.2336 0.0000 173.0705 73 T 4.8737 8.5733 116.1548 60.6488 69.4634 174.7563 74 K 4.5296 7.5831 121.9024 55.2023 34.6782 177.2392 75 K 3.9473 8.7075 123.2578 59.8968 32.2811 178.6411 76 Q 4.4509 8.0001 115.9441 55.8961 28.2115 175.5835 77 A 4.6626 7.9354 122.2396 52.0314 22.6128 178.4364 78 Q 4.0840 7.7706 118.3195 57.3800 28.3176 179.6759 79 D 4.1128 7.6149 119.2464 56.0457 42.3505 179.4007 80 I 3.5808 7.9847 113.9345 63.3385 37.4555 178.0026 81 V 3.4711 7.5341 119.7575 65.3704 30.9122 177.6319 82 R 3.6960 8.1135 118.5214 59.9020 29.9525 177.5529 83 M 4.0780 8.5498 118.8414 56.4730 31.5847 178.2830 84 E 3.6743 8.0170 123.0685 59.1906 30.4847 179.3780 85 A 3.6019 7.6651 121.2881 54.9574 18.5458 179.4814 86 E 3.9038 7.1356 114.9513 58.9360 29.8147 178.1842 87 R 4.2747 7.6615 117.4932 56.2475 31.5073 175.5771 88 A 4.2162 8.1018 121.4423 51.1089 22.6098 178.5209 89 G 3.8311 8.0697 103.3077 46.0409 0.0000 173.2962 90 M 4.4963 7.3791 118.9460 53.5148 33.0321 174.7571 91 P 4.8336 0.0000 0.0000 63.5183 33.0376 174.0613 92 Y 5.9721 8.4272 117.8470 57.8263 41.3791 173.5718 93 V 4.3438 8.2601 118.5847 61.5621 34.0220 174.8971 94 N 5.1479 9.1117 124.9566 53.2628 41.7615 175.1852 95 Q 4.6141 7.7733 121.3384 55.8895 27.8005 177.5209 96 R 4.1725 8.8432 128.1553 56.1303 29.5103 176.6644 97 W 4.1677 8.6428 134.2741 56.4867 28.4978 174.9835 98 L 3.5875 7.4194 122.7098 53.9385 42.0218 177.2428 99 G 3.6473 8.1741 110.3804 46.1623 0.0000 174.0483 100 G 3.8346 10.8856 113.3929 45.9517 0.0000 175.0096 101 M 3.9574 6.9826 118.9548 57.0416 32.2213 178.4162 102 L 4.0465 8.6270 122.7657 58.8447 42.4165 179.4885 103 T 4.1639 9.0847 114.7500 65.8805 68.7283 174.5430 104 N 4.8157 8.8367 121.7314 51.3701 39.3312 175.8171 105 F 4.4274 8.1998 119.6479 61.4859 38.9536 175.4727 106 K 3.7070 8.2594 118.0345 60.2652 31.7688 178.5231 107 T 4.5320 7.6362 115.2715 65.7474 68.8547 176.7366 108 I 3.8016 7.9740 122.1352 64.2756 37.1294 178.2381 109 S 3.9600 8.7777 117.3336 62.4059 62.5556 177.1734 110 Q 3.9206 7.5355 119.0421 59.0634 28.2834 180.2852 111 R 3.9665 8.3558 119.4855 58.8875 30.0551 178.6762 112 V 3.6172 8.0607 118.5572 66.7500 31.3793 177.7957 113 H 4.2138 8.2531 115.0156 58.9293 28.3257 177.6259 114 R 3.9377 7.7819 120.3993 59.1494 29.7298 177.7501 115 L 4.0356 8.2514 121.5410 57.9826 41.9948 178.4764 116 E 3.8703 8.2042 117.3280 59.5998 29.0167 178.7442 117 E 3.9016 8.2514 119.4590 59.1929 29.4309 179.0014 118 L 4.1105 7.5320 117.6532 56.7472 42.2737 178.2845 119 E 3.9074 8.5497 118.5499 59.2820 29.7533 178.5983 120 A 4.3039 8.3364 120.6801 54.6292 18.9096 178.9898 121 L 4.1400 7.2646 116.1592 56.9178 42.1407 178.3983 122 F 4.6072 8.4810 120.4219 60.5614 39.6147 175.0545 123 A 3.9255 7.0957 126.9487 51.2292 17.9558 176.0528 124 S 4.4998 7.4999 114.1708 58.0617 65.2071 175.1481 125 P 4.4561 0.0000 0.0000 64.2662 31.8700 177.7029 126 E 4.1742 7.9150 119.1465 58.2845 29.4543 178.6805 127 I 3.9599 7.1984 118.6823 63.3601 37.5249 176.8416 128 E 4.0856 8.0423 121.1821 58.6533 30.1926 176.6950 129 E 4.5077 7.3837 119.3865 56.1257 29.6681 171.8488 130 R 3.9288 8.7683 132.2553 56.1200 30.4355 174.9985 131 P 4.5081 0.0000 0.0000 62.2375 33.6428 177.2068 132 K 3.9414 8.5890 118.9930 59.2389 31.9698 178.9113 133 K 3.8726 8.0627 118.6476 59.7425 32.0589 178.7415 134 E 4.0416 8.0779 117.9154 59.3103 29.2178 178.7567 135 Q 4.1624 8.1588 118.1404 58.9812 28.6547 179.4894 136 V 3.6339 7.7355 118.4643 65.5258 31.6134 177.4291 137 R 3.8814 7.9835 118.2849 59.8496 29.7688 178.0725 138 L 4.4027 8.7954 118.4670 57.8086 41.8604 179.5982 139 K 3.9090 7.7187 117.6754 60.1173 32.2642 178.7314 140 H 4.1273 8.4989 118.1012 59.3413 29.4324 176.8040 141 E 3.9669 9.1964 121.9010 58.8016 28.9214 178.2697 142 L 4.1397 8.1314 120.2689 57.2684 42.3386 177.8150 143 E 3.9532 7.7916 117.9135 59.6126 29.7206 179.5522 144 R 3.8411 7.7317 115.1753 59.0200 29.6217 178.0504 145 L 3.9177 7.4325 120.7346 58.2236 41.8121 179.0107 146 Q 3.9914 8.9051 118.1245 58.4837 29.0373 177.5021 147 K 3.9069 8.0383 120.1005 58.3313 32.1838 177.1914 148 Y 4.7724 7.4615 114.9334 58.0662 40.0796 176.7448 149 L 4.6169 7.6326 117.5200 54.5470 42.0422 177.9594 150 S 4.5925 8.1718 116.3899 60.9362 63.0178 175.0362 151 G 3.2697 7.6197 106.6926 44.4183 0.0000 171.7729 152 F 4.9029 8.3354 122.2233 55.7259 38.0567 173.4834 153 R 4.4002 7.3373 120.2521 54.0979 37.7400 181.5076 154 L 2.8079 7.1989 117.1616 54.6249 43.8214 176.0037 155 L 4.4618 8.2979 123.0408 54.2371 43.9212 177.8255 156 K 4.5397 8.4072 126.0444 54.8699 31.6820 176.8557 157 R 4.7408 7.5205 116.4370 54.8047 33.4043 174.1670 158 L 3.5917 8.2548 124.3630 54.2280 42.1679 175.2666 159 P 4.5321 0.0000 0.0000 62.7523 31.9469 176.3282 160 D 4.6081 7.9940 117.6723 54.5451 41.4168 175.9640 161 A 4.7542 7.3319 120.0399 51.9102 22.8376 174.8967 162 I 4.7301 8.0759 111.2688 59.9291 41.2619 173.8614 163 F 5.9563 8.4995 128.4590 56.2234 41.5808 174.4275 164 V 4.7787 8.1291 122.6074 62.0466 35.3215 176.0996 165 V 3.8702 8.4382 122.7086 62.0711 31.8246 179.0159 166 D 4.4603 9.3350 135.0000 53.5769 40.7159 173.3846 167 P 4.2960 0.0000 0.0000 66.4574 30.8640 177.9997 168 T 3.8466 7.3084 109.5814 64.1518 68.3941 175.6125 169 K 4.1278 7.9492 121.1668 58.3301 32.5160 177.3084 170 E 4.5467 8.2786 118.3062 55.4608 30.3755 177.7683 171 A 3.9169 8.0452 123.7284 55.4671 18.0971 180.0634 172 I 3.5599 7.6786 117.5354 64.5415 37.1235 177.9172 173 A 2.5800 7.3761 121.2291 54.6607 17.9502 179.6384 174 V 3.3379 7.2053 115.7680 66.6642 31.6325 177.3985 175 R 3.7535 8.6821 118.1489 59.4916 29.8575 178.0072 176 E 3.9870 8.7369 118.7805 59.2762 29.4155 179.4410 177 A 4.0056 8.2627 120.8277 55.5591 18.4327 179.6803 178 R 3.7137 8.3295 117.1858 59.4269 29.8631 178.6392 179 K 3.7513 7.9775 118.7025 58.6423 32.2446 177.8388 180 L 4.4817 7.4281 116.2374 52.9077 42.5270 175.6028 181 F 3.7364 7.1832 119.7973 57.7493 35.9763 173.6806 182 I 4.4159 8.1763 123.3929 59.2537 40.5142 173.1919 183 P 4.3584 0.0000 0.0000 62.5142 32.3646 175.1953 184 V 4.7605 8.7011 125.7339 61.0811 33.4508 174.4644 185 I 5.2259 8.4031 121.0206 59.3177 40.7272 174.2586 186 A 5.1419 8.8012 124.0614 51.7193 23.4022 175.4240 187 L 5.4644 9.9446 123.5393 53.4818 41.8949 175.4024 188 A 4.9381 8.5754 127.6166 50.1659 20.9617 175.6003 189 D 4.7526 8.0890 120.2605 52.3168 41.7844 176.9165 190 T 2.4800 8.1273 107.3810 63.7186 69.2669 173.6242 191 D 4.7037 7.0297 122.0340 53.5939 41.4035 175.6132 192 S 4.5363 7.2397 111.4719 57.4032 66.9943 173.8304 193 D 4.8620 8.3729 122.4565 50.8053 40.2013 173.8158 194 P 4.0165 0.0000 0.0000 62.7740 30.8401 182.0156 195 D 3.7169 6.9320 117.0591 55.0298 43.5457 176.2238 196 L 4.2900 7.5197 120.9232 55.9988 40.5354 176.9278 197 V 4.3289 7.8016 119.0804 61.9523 33.5621 174.6173 198 D 4.1237 8.6017 128.0996 56.5688 40.9431 176.6412 199 Y 4.3064 8.6833 125.0397 56.4025 39.1672 173.9602 200 I 4.4844 8.1604 125.3552 60.6302 38.4508 176.2353 201 I 4.3938 9.3232 130.6096 58.8410 37.5510 172.2262 202 P 5.2356 0.0000 0.0000 61.7459 31.8210 176.2637 203 G 4.6226 9.3378 119.1068 46.3443 0.0000 171.1997 204 N 3.7331 7.3718 119.9060 51.3560 40.0324 173.8243 205 D 4.8802 8.2030 123.1922 53.2115 40.7014 175.7369 206 D 4.5863 7.7861 118.0583 55.8930 43.1113 176.1337 207 A 4.0631 7.9811 124.3019 52.1529 17.9812 177.6935 208 I 3.7177 8.5162 124.4628 65.2601 36.5179 178.1921 209 R 3.8878 8.0569 118.6054 59.7144 29.9383 178.6672 210 S 4.2577 8.1302 112.2283 61.2786 62.4360 176.0547 211 I 3.6711 7.7709 122.1339 64.6680 36.7967 177.4325 212 Q 3.8992 8.3497 120.3798 59.8272 28.8767 177.8061 213 L 4.0671 7.7473 119.4801 59.2402 41.8153 179.1490 214 I 3.9290 8.0741 120.7909 64.2804 37.3836 177.9873 215 L 4.4334 8.2443 121.3470 58.5736 42.0155 177.6759 216 S 4.9614 9.1469 115.4465 60.2332 61.9536 175.5203 217 R 3.9139 8.2992 122.0381 58.5669 30.4924 178.7810 218 A 4.5947 7.8630 121.3741 55.2508 18.7428 179.7427 219 V 3.5886 8.0371 116.7346 66.2776 31.4901 177.4811 220 D 4.3565 8.2154 118.0750 57.7575 39.9880 178.4731 221 L 3.4961 7.7385 120.3292 58.6119 41.7049 179.3231 222 I 4.0713 7.6272 118.9286 64.0062 37.4045 177.8015 223 I 4.0346 7.8942 120.5910 63.5746 37.0629 177.6670 224 Q 3.9809 8.7979 120.8060 58.1352 30.0340 177.9022 225 A 4.5667 6.7734 123.2393 48.8090 16.0037 175.0435 226 R 4.3090 7.8010 129.1703 54.5474 33.3830 173.5266 227 G 3.8325 7.5780 108.3088 46.1163 0.0000 171.8623 228 G 3.1220 8.7073 115.7958 44.9050 0.0000 174.0006 229 V 3.6472 7.8256 121.0383 63.0282 32.2140 174.9200 230 V 4.4684 7.8912 122.1419 60.2106 34.4384 174.7597 231 E 4.3198 8.5483 119.3315 55.4203 30.7447 173.9325 232 P 4.4047 0.0000 0.0000 62.8434 31.7971 175.5625 233 S 4.6235 8.0712 113.8169 55.5893 64.9509 171.6664 234 P 4.2935 0.0000 0.0000 63.6821 30.2595 175.5831 235 S 4.4328 8.7206 118.0368 59.7890 64.3752 174.4964 236 Y 4.4850 7.8662 117.1851 56.6822 38.8468 174.1588 237 A 4.5741 8.1321 125.2114 53.2347 24.6506 176.8428 238 L 4.5132 7.6341 113.0474 56.0340 41.5820 176.3276 239 V 3.8052 7.9961 120.2647 64.4585 28.7007 174.2750 240 Q 3.5871 8.1505 130.6530 57.4536 29.0249 173.6330 *241 E 4.1630 7.9924 115.8843 56.0697 30.4602 177.4780 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 4.00 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 0.96 0.00 0.00 0.90 0.00 0.00 8 K 7.78 3.56 0.00 1.87 1.63 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.42 7.81 9 E 8.16 3.30 0.00 1.94 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 2.36 2.37 0.00 10 L 7.57 3.75 0.00 1.66 1.66 0.90 0.53 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 11 L 7.92 3.87 0.00 1.70 1.59 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.14 3.80 0.00 2.00 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 2.38 2.34 0.00 13 A 8.19 3.40 1.18 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 14 G 7.73 3.73 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 0.00 15 V 7.12 4.55 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 0.69 0.00 0.00 0.84 0.00 0.00 16 H 8.28 5.06 0.00 3.11 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.73 4.78 0.00 3.15 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 9.10 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 0.00 0.00 0.00 0.00 19 H 8.15 4.86 0.00 3.08 2.58 0.00 5.97 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.63 3.96 0.00 1.88 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 2.42 2.29 0.00 21 R 8.14 4.66 0.00 1.97 1.96 0.00 2.98 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 22 K 9.19 3.91 0.00 1.92 1.95 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 23 R 7.69 4.83 0.00 1.69 1.81 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 24 W 8.32 5.03 0.00 3.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.42 4.34 0.00 2.53 2.55 0.00 0.00 6.68 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 1.57 0.00 3.36 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 27 K 8.70 3.90 0.00 1.84 1.83 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 28 F 7.95 4.03 0.00 3.22 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 29 A 8.23 4.55 1.56 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 0.00 0.00 30 R 7.60 4.08 0.00 1.79 1.92 0.00 2.64 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 31 Y 6.63 4.75 0.00 1.87 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 32 I 7.59 4.34 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.45 1.07 0.00 0.00 33 Y 9.61 4.34 0.00 2.88 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 34 A 7.31 4.23 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.22 5.01 0.00 1.59 1.68 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 2.04 2.14 0.00 36 R 8.08 4.09 0.00 1.90 1.81 0.00 3.37 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 37 N 9.78 4.07 0.00 2.76 2.79 0.00 0.00 7.30 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 7.50 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 0.00 0.00 0.00 39 I 7.46 3.92 1.81 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 1.31 1.08 0.91 0.00 0.00 40 H 8.39 4.70 0.00 3.36 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.41 3.94 1.98 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 1.03 0.52 0.81 0.00 0.00 42 I 8.20 4.10 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 1.09 0.00 0.00 43 D 9.03 4.60 0.00 3.06 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 44 L 8.59 4.57 0.00 1.75 1.71 1.11 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.24 3.89 0.00 2.02 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 46 K 8.71 4.72 0.00 2.17 1.79 0.00 1.88 0.00 0.00 2.05 0.00 0.00 3.25 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.54 7.81 47 T 7.87 3.63 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 48 M 8.69 3.77 0.00 2.21 2.04 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 2.64 0.00 49 E 7.92 3.95 0.00 2.31 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 2.34 2.55 0.00 50 E 8.06 4.02 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 51 L 8.06 4.02 0.00 2.01 2.09 1.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.84 3.87 0.00 2.09 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 2.37 2.40 0.00 53 R 7.01 3.96 0.00 2.06 1.98 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 54 T 8.20 3.87 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 0.80 0.00 0.00 55 F 8.56 4.02 0.00 3.07 3.07 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 56 R 8.60 4.05 0.00 2.04 2.08 0.00 3.34 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 57 F 7.86 4.30 0.00 2.43 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 7.69 3.43 1.99 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.88 0.00 0.00 59 E 9.39 4.04 0.00 2.03 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 0.00 2.29 2.46 0.00 60 D 8.55 4.50 0.00 2.78 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 61 L 7.51 4.33 0.00 1.18 1.37 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.86 4.05 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 7.86 4.42 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 64 R 7.69 4.49 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 65 G 8.26 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.88 4.12 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 0.00 67 T 8.35 4.51 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 8.44 4.82 2.16 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 1.20 0.50 0.67 0.00 0.00 69 L 8.40 5.09 0.00 1.80 1.62 1.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.33 5.70 0.00 3.21 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 71 V 8.17 5.00 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 1.02 0.00 0.00 1.11 0.00 0.00 72 G 9.32 4.12 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 0.00 73 T 8.57 4.87 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 74 K 7.58 4.53 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.41 7.81 75 K 8.71 3.95 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.43 7.81 76 Q 8.00 4.45 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 77 A 7.94 4.66 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 78 Q 7.77 4.08 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.36 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 79 D 7.61 4.11 0.00 2.83 2.79 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 80 I 7.98 3.58 1.83 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 1.32 0.55 0.86 0.00 0.00 81 V 7.53 3.47 2.45 0.00 0.00 0.00 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 0.99 0.00 0.00 82 R 8.11 3.70 0.00 1.92 2.06 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 83 M 8.55 4.08 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.81 0.00 84 E 8.02 3.67 0.00 1.78 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 2.33 2.33 0.00 85 A 7.67 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.14 3.90 0.00 1.85 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 2.30 2.16 0.00 87 R 7.66 4.27 0.00 1.72 1.82 0.00 3.40 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 88 A 8.10 4.22 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 89 G 8.07 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 7.38 4.50 0.00 2.47 1.91 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.89 0.00 91 P 0.00 4.83 0.00 2.20 2.14 0.00 4.05 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 92 Y 8.43 5.97 0.00 3.11 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 93 V 8.26 4.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.21 0.00 0.00 94 N 9.11 5.15 0.00 2.99 2.94 0.00 0.00 7.32 7.08 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 95 Q 7.77 4.61 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 96 R 8.84 4.17 0.00 1.44 1.72 0.00 3.39 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 97 W 8.64 4.17 0.00 3.25 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 7.42 3.59 0.00 1.03 1.23 0.62 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.17 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 0.00 0.00 0.00 100 G 10.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 6.98 3.96 0.00 1.84 1.41 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 102 L 8.63 4.05 0.00 1.80 1.84 1.47 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.08 4.16 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 1.24 0.00 0.00 104 N 8.84 4.82 0.00 2.64 2.83 0.00 0.00 6.61 6.92 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 0.00 105 F 8.20 4.43 0.00 3.32 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 8.26 3.71 0.00 1.89 1.86 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 107 T 7.64 4.53 4.49 0.00 0.00 0.00 0.00 0.00 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 7.97 3.80 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.78 0.76 0.00 0.00 109 S 8.78 3.96 0.00 3.66 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 0.00 110 Q 7.54 3.92 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 111 R 8.36 3.97 0.00 1.93 1.96 0.00 3.29 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 1.61 1.73 0.00 112 V 8.06 3.62 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 1.04 0.00 0.00 1.06 0.00 0.00 113 H 8.25 4.21 0.00 3.37 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.78 3.94 0.00 1.88 2.03 0.00 3.15 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 115 L 8.25 4.04 0.00 1.74 1.85 0.95 0.70 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 0.00 116 E 8.20 3.87 0.00 2.21 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 2.35 2.32 0.00 117 E 8.25 3.90 0.00 2.22 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 2.55 2.50 0.00 118 L 7.53 4.11 0.00 1.79 1.73 0.97 0.71 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 0.00 119 E 8.55 3.91 0.00 2.06 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 2.33 2.42 0.00 120 A 8.34 4.30 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.26 4.14 0.00 1.80 1.76 0.94 0.77 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 0.00 122 F 8.48 4.61 0.00 3.03 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.10 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.50 4.50 0.00 3.77 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.46 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 126 E 7.92 4.17 0.00 1.99 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 2.32 2.27 0.00 127 I 7.20 3.96 1.82 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 1.26 0.61 0.89 0.00 0.00 128 E 8.04 4.09 0.00 1.97 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 2.32 2.33 0.00 129 E 7.38 4.51 0.00 2.05 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 2.26 2.25 0.00 130 R 8.77 3.93 0.00 1.97 1.99 0.00 3.38 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 131 P 0.00 4.51 0.00 2.26 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 132 K 8.59 3.94 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 133 K 8.06 3.87 0.00 1.80 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 134 E 8.08 4.04 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 135 Q 8.16 4.16 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 136 V 7.74 3.63 2.26 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 1.05 0.00 0.00 0.96 0.00 0.00 137 R 7.98 3.88 0.00 2.16 1.89 0.00 3.34 0.00 0.00 3.19 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 138 L 8.80 4.40 0.00 1.70 1.72 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.72 3.91 0.00 2.06 1.94 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.69 7.81 140 H 8.50 4.13 0.00 3.47 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 9.20 3.97 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 142 L 8.13 4.14 0.00 1.79 1.79 0.86 0.67 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 7.79 3.95 0.00 2.02 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 2.60 2.47 0.00 144 R 7.73 3.84 0.00 2.10 2.10 0.00 2.84 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 145 L 7.43 3.92 0.00 2.07 1.85 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.91 3.99 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 147 K 8.04 3.91 0.00 1.71 1.44 0.00 1.53 0.00 0.00 1.15 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.55 1.13 7.81 148 Y 7.46 4.77 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.63 4.62 0.00 1.73 1.96 0.99 0.96 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 0.00 150 S 8.17 4.59 0.00 3.84 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.62 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.34 4.90 0.00 2.87 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 0.00 153 R 7.34 4.40 0.00 1.80 1.73 0.00 3.28 0.00 0.00 3.25 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 154 L 7.20 2.81 0.00 1.73 1.85 1.09 1.00 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 0.00 155 L 8.30 4.46 0.00 1.64 1.63 0.94 0.88 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 0.00 156 K 8.41 4.54 0.00 1.79 1.82 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 157 R 7.52 4.74 0.00 1.78 1.77 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 158 L 8.25 3.59 0.00 1.55 1.44 0.90 1.02 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 0.00 159 P 0.00 4.53 0.00 2.10 2.06 0.00 3.58 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 160 D 7.99 4.61 0.00 2.64 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 0.00 161 A 7.33 4.75 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 0.00 162 I 8.08 4.73 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 1.01 0.00 0.00 163 F 8.50 5.96 0.00 2.31 1.69 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 0.00 164 V 8.13 4.78 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 1.08 0.00 0.00 0.93 0.00 0.00 165 V 8.44 3.87 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 0.62 0.00 0.00 0.93 0.00 0.00 166 D 9.33 4.46 0.00 2.84 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 0.00 167 P 0.00 4.30 0.00 2.28 2.30 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 168 T 7.31 3.85 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 1.19 0.00 0.00 169 K 7.95 4.13 0.00 1.94 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.62 7.81 170 E 8.28 4.55 0.00 1.86 1.56 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 2.11 2.19 0.00 171 A 8.05 3.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.68 3.56 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 1.62 0.47 1.15 0.00 0.00 173 A 7.38 2.58 -0.26 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 0.00 174 V 7.21 3.34 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 0.87 0.00 0.00 0.86 0.00 0.00 175 R 8.68 3.75 0.00 1.93 2.03 0.00 3.19 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 176 E 8.74 3.99 0.00 2.52 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 0.00 2.50 2.69 0.00 177 A 8.26 4.01 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 0.00 178 R 8.33 3.71 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 179 K 7.98 3.75 0.00 1.70 1.87 0.00 1.82 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 1.34 1.36 7.81 180 L 7.43 4.48 0.00 1.82 1.71 1.03 0.69 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 0.00 181 F 7.18 3.74 0.00 3.25 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 8.18 4.42 2.00 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 1.36 0.59 0.96 0.00 0.00 183 P 0.00 4.36 0.00 2.52 2.26 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 184 V 8.70 4.76 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 185 I 8.40 5.23 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 1.05 0.00 0.00 186 A 8.80 5.14 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 0.00 187 L 9.94 5.46 0.00 1.78 1.77 1.04 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.58 4.94 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 0.00 189 D 8.09 4.75 0.00 2.81 2.84 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 0.00 190 T 8.13 2.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 191 D 7.03 4.70 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 7.24 4.54 0.00 3.77 3.69 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 0.00 193 D 8.37 4.86 0.00 2.75 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 0.00 194 P 0.00 4.02 0.00 2.18 2.13 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.79 0.00 195 D 6.93 3.72 0.00 2.70 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 0.00 196 L 7.52 4.29 0.00 1.69 1.72 1.08 0.49 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 0.00 197 V 7.80 4.33 2.20 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 0.86 0.00 0.00 1.04 0.00 0.00 198 D 8.60 4.12 0.00 2.59 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 0.00 0.00 0.00 0.00 199 Y 8.68 4.31 0.00 2.80 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 0.00 200 I 8.16 4.48 1.96 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 1.41 0.51 1.12 0.00 0.00 201 I 9.32 4.39 2.16 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 1.24 1.07 1.05 0.00 0.00 202 P 0.00 5.24 0.00 2.17 2.04 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 203 G 9.34 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 N 7.37 3.73 0.00 2.72 2.71 0.00 0.00 6.87 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 8.20 4.88 0.00 2.77 2.84 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 0.00 206 D 7.79 4.59 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 7.98 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 0.00 208 I 8.52 3.72 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 1.72 0.65 0.86 0.00 0.00 209 R 8.06 3.89 0.00 1.79 1.94 0.00 3.26 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 210 S 8.13 4.26 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 I 7.77 3.67 1.97 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 1.51 0.70 0.88 0.00 0.00 212 Q 8.35 3.90 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 213 L 7.75 4.07 0.00 1.74 1.80 0.71 1.04 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 8.07 3.93 2.00 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 1.65 1.04 1.19 0.00 0.00 215 L 8.24 4.43 0.00 2.02 1.79 1.06 0.56 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 0.00 216 S 9.15 4.96 0.00 4.05 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 0.00 217 R 8.30 3.91 0.00 1.87 1.83 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 218 A 7.86 4.59 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 0.00 0.00 0.00 0.00 0.00 219 V 8.04 3.59 2.28 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 1.14 0.00 0.00 0.94 0.00 0.00 220 D 8.22 4.36 0.00 2.78 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 0.00 221 L 7.74 3.50 0.00 1.85 2.02 0.99 0.95 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 0.00 222 I 7.63 4.07 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.07 0.96 0.00 0.00 223 I 7.89 4.03 1.98 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 1.40 1.19 0.90 0.00 0.00 224 Q 8.80 3.98 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 225 A 6.77 4.57 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 0.00 226 R 7.80 4.31 0.00 1.74 2.07 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 227 G 7.58 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.71 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 0.00 0.00 0.00 229 V 7.83 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 0.82 0.00 0.00 0.92 0.00 0.00 230 V 7.89 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 0.90 0.00 0.00 0.92 0.00 0.00 231 E 8.55 4.32 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 232 P 0.00 4.40 0.00 2.10 2.10 0.00 3.66 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 2.05 2.09 0.00 233 S 8.07 4.62 0.00 3.93 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 0.00 234 P 0.00 4.29 0.00 2.20 2.18 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 235 S 8.72 4.43 0.00 3.67 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 0.00 236 Y 7.87 4.49 0.00 2.92 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 0.00 237 A 8.13 4.57 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 0.00 238 L 7.63 4.51 0.00 1.72 1.70 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 239 V 8.00 3.81 2.14 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 0.64 0.00 0.00 0.77 0.00 0.00 240 Q 8.15 3.59 0.00 2.23 2.22 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 2.27 2.36 0.00 *241 E 7.99 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.