NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2469 7.8827 121.4518 61.2273 38.4918 173.7555 17 V 4.2499 8.7705 126.3828 61.7081 32.6835 174.4519 18 G 4.2658 8.5184 114.3951 46.7466 0.0000 173.7466 19 G 4.2168 7.7345 109.8193 44.8062 0.0000 173.0458 20 Y 4.9018 8.0925 119.8592 55.5880 41.8688 174.9638 21 T 4.1512 8.6868 117.4807 64.4541 68.9146 175.5449 22 C 4.1840 8.5596 125.6891 59.5127 40.1214 175.7206 23 G 4.0026 7.8541 103.3193 44.8292 0.0000 172.8183 24 A 4.3688 8.4401 125.3794 53.0535 18.6068 176.7813 25 N 4.2777 8.9742 118.9055 54.4222 36.2119 175.5956 26 T 4.0797 7.8582 109.1447 63.3070 69.5806 175.0352 27 V 3.9994 7.1207 122.2477 60.3391 31.2017 173.6050 28 P 4.5390 0.0000 0.0000 63.3153 32.1986 178.1132 29 Y 5.0912 7.0335 116.2444 56.9992 38.8054 174.5136 30 Q 4.6097 7.5992 123.8821 56.1820 29.5146 175.4344 31 V 4.8473 9.0208 119.2823 59.6876 36.0427 174.1743 32 S 4.8632 8.7635 117.0005 56.6405 64.6996 172.6591 33 L 4.7334 8.3943 127.4668 53.3825 43.2871 175.0435 34 N 5.6527 9.3298 122.5405 49.9251 42.1672 174.8270 *37 S 4.1305 8.3724 119.8294 58.3415 64.1007 174.5732 38 G 3.9371 9.8609 106.7005 46.0835 0.0000 172.5374 39 Y 4.5406 6.6699 114.8465 56.0897 39.8988 172.6386 40 H 4.4772 8.9061 121.8863 56.3088 30.3326 174.8066 41 F 5.0061 7.7266 119.5742 56.5715 39.4124 173.5760 42 C 4.6971 6.8377 115.1624 56.5289 43.7711 172.8649 43 G 4.2947 8.8318 109.1376 45.5178 0.0000 172.0521 44 G 4.5520 8.0324 105.5967 46.4693 0.0000 172.7076 45 S 5.3537 8.8158 115.4541 56.4196 66.9065 173.7448 46 L 4.7307 9.2673 128.3487 55.0536 42.3651 177.1180 47 I 4.6556 8.5559 119.4970 60.8365 38.9946 174.3630 48 N 4.7423 7.5835 117.6364 52.1461 39.5120 174.9700 49 S 4.3701 8.6316 111.8028 60.3799 63.1805 174.8396 50 Q 4.5245 9.1123 118.9439 55.1500 31.1459 174.8926 51 W 5.5173 8.5001 119.4734 54.8165 33.7132 174.3015 52 V 4.9955 9.2987 123.4318 61.1619 34.4619 174.1116 53 V 4.7675 9.2470 127.7496 61.8031 33.6925 174.7205 54 S 4.9982 9.0390 121.3133 57.4765 66.2317 171.7333 55 A 4.7950 8.4209 120.3321 50.2449 20.8768 177.9771 56 A 3.7421 8.4191 124.8714 55.4617 18.3647 179.2370 57 H 4.5048 8.3829 108.8132 57.2727 28.5885 175.3073 58 C 4.6798 7.9155 117.3182 57.3116 40.5554 173.3502 59 Y 4.2830 7.8005 122.2902 57.9410 38.7345 175.1618 60 K 3.6015 6.8987 123.3459 55.9605 34.7154 174.5099 61 S 4.2031 8.0612 114.9590 57.8829 64.2131 173.2966 62 G 3.7724 8.3098 105.8560 46.6387 0.0000 173.8233 63 I 4.0330 7.5924 120.5012 60.6441 38.7385 174.9632 64 Q 4.6952 9.1329 129.1405 54.3314 31.2462 174.2036 65 V 4.3988 8.8732 127.1552 61.9552 33.3321 174.6003 66 R 5.0976 9.1107 127.6180 54.7065 32.2238 175.2291 67 L 4.6369 8.8433 124.6482 52.9646 44.3053 177.8360 *69 G 4.2403 8.2776 108.2425 45.3072 0.0000 172.7471 70 E 4.3116 8.2284 118.7663 55.7086 29.4639 174.1116 71 D 4.8357 8.0592 118.8309 55.2473 44.5210 174.7049 72 N 4.9035 8.9379 123.6003 53.0689 38.9746 176.0098 73 I 3.8178 8.8869 120.1299 62.1961 37.7777 176.3241 74 N 4.8414 8.6945 117.9680 52.9733 39.3790 174.5891 75 V 4.3435 7.5151 118.0122 60.5930 34.3543 175.0837 76 V 3.9701 8.4750 126.5890 63.0042 31.1226 175.2131 77 E 4.4315 9.5190 127.2831 55.4327 30.8046 177.0905 78 G 3.9271 8.2421 106.4422 46.4122 0.0000 174.1387 79 N 4.5382 8.9402 116.8744 52.8307 36.5764 174.3059 80 E 4.4687 7.7148 117.4790 56.4193 30.7094 176.3182 81 Q 4.4089 9.0331 121.4865 54.2210 32.4244 174.2616 82 F 5.5030 8.6806 123.3716 56.4234 40.4654 175.5050 83 I 4.6793 8.9032 124.7772 59.3307 40.9971 175.3948 84 S 4.6670 8.7358 122.6517 58.3138 64.1139 173.4596 85 A 4.5528 8.7234 126.2738 52.1888 18.3276 177.6708 86 S 4.6145 9.1471 116.0843 58.6681 64.8365 174.6197 87 K 4.6828 7.6175 119.5356 55.0941 36.6719 175.1188 88 S 5.0230 8.8746 119.6943 57.0804 65.9860 173.7851 89 I 4.4416 9.5094 128.4592 59.3844 38.8072 175.3553 90 V 4.1205 8.2896 127.5895 62.2038 32.5541 175.1552 91 H 3.8618 8.7805 127.0861 56.3399 29.8751 174.3043 92 P 4.2432 0.0000 0.0000 65.2999 31.3872 177.1600 93 S 4.6727 7.8632 111.8632 58.0720 62.8418 173.3941 94 Y 4.3864 8.1659 123.6551 57.7686 39.0623 174.5223 95 N 4.7467 8.1203 124.9632 51.4706 40.6168 175.0059 96 S 3.9173 7.9399 119.3552 59.0833 63.7930 174.7159 97 N 4.4385 8.5228 119.1725 55.0147 38.6481 176.1327 98 T 3.9195 7.7693 106.5933 60.8914 69.9218 175.6830 99 L 4.2197 7.9523 120.6012 55.2810 39.9938 173.8909 100 N 4.3932 7.4095 118.1203 54.8722 39.2938 174.7113 101 N 4.8315 8.7722 121.2670 54.2690 35.7991 175.4404 102 D 4.7332 8.0324 117.9632 53.3387 39.6518 174.2407 103 I 4.7417 7.2292 121.1971 59.3346 42.1755 172.5225 104 M 5.4703 9.1539 127.3491 54.1214 36.1781 173.2576 105 L 5.2926 9.5445 125.8841 53.3954 44.3300 175.3444 106 I 5.0583 8.9359 124.5225 59.3951 40.1753 174.3871 107 K 3.7720 8.4710 128.7440 54.5746 33.6929 175.4186 108 L 4.3181 8.0147 127.8580 54.0740 41.8408 177.0248 109 K 4.0138 8.7644 125.3222 59.0365 32.5720 177.0675 110 S 4.7020 7.7552 112.5950 55.9150 66.6975 173.3620 111 A 4.3994 8.3620 123.8861 52.0151 18.7709 177.4933 112 A 4.2775 9.2678 123.9440 51.8874 19.6539 177.2896 113 S 4.5077 9.1349 115.8477 56.9514 63.0742 173.9975 114 L 4.5001 8.5347 128.4308 54.4382 42.3681 176.1539 115 N 4.8965 9.1526 120.3782 52.1271 39.7774 174.8459 116 S 4.2419 8.6250 111.5628 61.2122 63.2962 175.3761 117 R 4.0667 8.9814 120.9147 57.4770 30.3991 175.6456 118 V 4.5772 7.8783 117.2452 60.8219 32.6967 173.5964 119 A 5.2148 8.6728 128.4722 49.9936 22.8130 175.0945 120 S 4.9910 8.7696 114.4670 57.9084 64.7198 173.1100 121 I 4.4199 8.4647 122.1238 59.0954 39.2820 175.5549 122 S 4.3489 8.4216 124.5097 58.5319 63.9288 173.7094 123 L 4.3488 8.3989 123.7135 53.8371 42.2578 175.3252 124 P 4.5042 0.0000 0.0000 62.7906 32.3507 176.4232 125 T 4.0162 8.2653 109.7460 63.5234 69.6099 174.8525 *127 S 4.5123 7.5436 114.0206 57.7110 64.0591 173.9844 128 C 4.4582 8.4310 117.9825 56.9543 40.4867 173.8259 129 A 4.3365 8.1742 125.5409 51.7205 19.6195 176.8538 130 S 4.5192 8.0215 114.4703 56.6654 65.4941 173.6279 *132 A 4.2952 8.2267 124.0637 53.5598 19.2896 176.3782 133 G 4.0431 9.5986 111.1793 45.4528 0.0000 174.4632 134 T 3.8081 7.4343 115.9735 64.5138 69.4205 173.0113 135 Q 4.8408 8.6215 127.3216 55.2510 30.4614 175.2108 136 C 5.2955 9.3110 122.9176 55.0650 44.5335 172.3952 137 L 5.2118 9.0413 123.2617 53.5813 43.8495 175.0894 138 I 5.3027 9.1796 127.4173 58.6875 40.1539 174.8519 139 S 4.8781 8.4809 119.7382 56.5454 66.3772 173.1655 140 G 3.8415 7.6254 109.0194 46.1926 0.0000 173.0260 141 W 4.6762 8.6752 117.3192 56.2335 29.4090 176.9966 142 G 4.1929 8.6943 109.5314 44.2765 0.0000 173.4338 143 N 3.6573 8.9629 118.3689 54.4760 38.8816 174.4856 144 T 5.1029 8.3761 114.1752 60.5312 69.2889 174.4617 145 K 4.6756 7.6217 120.6321 54.5964 35.4115 176.5513 146 S 4.4632 8.7054 117.0787 60.5992 63.4489 174.7370 147 S 4.4832 7.4974 113.4920 57.2900 65.6544 174.5655 148 G 3.9086 8.8910 111.0820 44.9797 0.0000 172.0580 149 T 4.7377 8.0445 107.5287 59.8334 71.5238 173.7676 150 S 4.4926 9.3372 119.9902 57.2117 65.8992 171.8717 151 Y 5.0793 8.7348 125.0326 55.7155 39.7009 173.9261 152 P 4.8240 0.0000 0.0000 61.9911 33.5021 175.3908 153 D 4.6852 8.6991 118.5761 56.4889 42.0834 177.0738 154 V 5.3644 7.6539 109.3418 58.4962 34.5276 175.7595 155 L 3.1043 8.5732 124.4755 54.9506 42.9923 175.8788 156 K 4.8372 8.2075 125.1345 54.9623 35.1188 174.6086 157 C 5.1694 8.4248 119.1908 55.1090 42.0182 173.0515 158 L 4.9610 8.7297 123.1241 53.6789 45.4068 174.8302 159 K 5.0887 9.0828 125.7411 55.6362 33.3201 176.0435 160 A 4.7768 9.2756 126.4391 49.8623 23.1569 173.4345 161 P 5.0315 0.0000 0.0000 61.8649 33.7278 175.3717 162 I 4.4035 8.6440 123.2526 61.6089 38.1439 175.8107 163 L 4.8745 8.7558 127.1086 52.9965 43.8211 176.6304 164 S 4.3727 8.3968 114.4830 58.0178 64.1107 174.7626 165 D 4.4283 8.9192 121.5591 58.0389 40.5344 179.3933 166 S 4.0990 8.0253 112.4870 61.6944 62.4280 176.2813 167 S 4.2436 7.9665 117.3417 61.5371 62.5604 175.8872 168 C 4.3056 8.3175 121.3286 59.7292 39.7955 175.8181 169 K 4.0139 8.3583 120.0484 59.1488 31.4282 179.5114 170 S 4.1319 8.4491 115.1875 61.6480 62.8437 176.3022 171 A 3.9969 8.1378 122.5095 53.9246 19.6836 177.4238 172 Y 4.9292 7.7359 114.1750 55.3246 38.3572 173.0209 173 P 4.7782 0.0000 0.0000 63.2730 32.4365 177.2400 174 G 4.0500 8.8987 107.5186 46.5726 0.0000 173.8092 175 Q 4.5158 8.3015 115.6944 55.1506 30.3071 175.4571 176 I 4.4077 7.8601 119.8147 59.9586 38.1316 175.5957 177 T 4.4966 8.2599 116.2269 59.8896 70.5103 175.5231 178 S 4.3424 8.5357 115.1133 60.2793 63.1390 174.4046 179 N 4.9737 7.9500 117.7459 53.3475 38.5698 173.8250 180 M 5.5411 8.1484 117.7265 53.5023 35.6854 174.8035 181 F 5.1647 8.7709 115.9521 55.4548 42.2430 172.8505 182 C 5.7426 9.1687 116.2752 55.2904 41.8278 172.6306 183 A 5.0481 9.0752 122.4392 51.0918 22.3662 174.2782 184 G 4.1261 7.3419 105.5132 44.4485 0.0000 174.1608 184A Y 4.6377 8.5029 120.7421 56.2270 41.1494 176.0846 185 L 4.1468 8.6599 125.8157 57.1191 42.0050 178.4566 186 E 4.1298 8.2559 114.6787 56.2693 30.0306 177.4671 187 G 4.0721 7.6893 104.9401 46.9935 0.0000 173.8322 188 G 4.0130 9.7734 108.5287 44.6352 0.0000 173.5888 188A K 4.9152 7.4202 117.7924 55.3415 35.7098 175.0430 189 D 4.7001 9.0157 123.6756 53.5051 45.5704 174.8972 190 S 4.9177 8.2525 116.2524 58.5643 64.8130 171.7591 191 C 4.7789 8.9661 118.3315 55.7100 43.5910 172.5232 192 Q 4.4871 8.5498 118.8568 57.6944 28.7019 177.0518 193 G 4.4803 9.2466 109.4059 45.8230 0.0000 174.2214 194 D 4.6784 8.3628 118.2708 55.3378 41.6128 176.6780 195 S 4.3966 8.1054 115.3873 60.5022 63.4535 175.5849 196 G 3.7251 8.6342 112.4570 46.4203 0.0000 173.6831 197 G 4.3638 7.9699 107.5147 45.0917 0.0000 171.1370 198 P 4.8380 0.0000 0.0000 62.4725 33.2855 175.6862 199 V 4.5155 8.7421 122.8589 61.4428 33.4502 173.8910 200 V 4.8699 8.8169 128.9140 61.1497 34.1926 173.6276 201 C 5.0807 8.9568 124.9606 55.5522 43.6920 174.4964 202 S 3.7326 9.9683 120.2469 59.5585 60.0450 173.4462 203 G 3.9623 8.7112 106.4465 45.1704 0.0000 174.0933 204 K 4.6889 7.6929 118.3830 53.2026 34.9785 175.1339 *209 L 4.2726 8.2554 123.6477 55.6037 42.0546 175.5551 210 Q 4.5337 9.0679 125.6859 56.2306 31.0007 175.7420 211 G 5.3192 8.0810 104.6605 45.5004 0.0000 171.3623 212 I 5.2616 8.1424 119.9921 58.7981 41.1132 175.2565 213 V 3.7980 8.9221 127.3896 64.0396 31.7647 174.0452 214 S 4.9101 8.5703 121.1496 58.3713 64.5738 174.7263 215 W 4.9851 7.5161 114.3338 55.8430 32.0578 172.7123 216 G 3.9622 8.3177 107.6496 46.3514 0.0000 172.5802 217 S 4.5344 8.4759 115.5804 57.2869 62.8612 172.8521 *219 G 4.2350 8.1152 117.5068 45.6957 0.0000 171.4002 220 C 4.9683 8.1470 115.9988 56.3990 45.1852 173.8261 221 A 4.1898 9.0924 126.1081 53.1549 16.8049 176.7346 221A Q 4.6093 7.3612 117.2757 56.1142 29.8699 176.0422 222 K 4.2472 8.4058 122.3732 58.0106 32.6679 176.7307 223 N 4.2914 9.1251 121.3853 53.6847 36.9495 175.1509 224 K 4.1931 7.6266 118.1959 53.5666 32.3469 173.9624 225 P 4.6771 0.0000 0.0000 61.4594 33.4068 176.3941 226 G 3.5251 8.4540 106.4662 46.2582 0.0000 172.7065 227 V 4.3247 7.8525 123.1308 60.7125 33.7884 174.0916 228 Y 4.9571 8.1067 124.5560 55.8457 41.9429 175.0739 229 T 4.2131 8.5432 120.5546 63.9490 69.8982 173.9913 230 K 5.0692 9.3768 128.6188 55.5934 31.4292 177.2402 231 V 3.9585 9.0340 126.6241 65.5561 31.4174 174.8780 232 C 4.4147 8.3241 112.7955 58.0698 41.5725 174.7375 233 N 4.2523 8.2117 117.4008 54.4804 38.5840 175.5594 234 Y 4.7262 7.8131 117.2919 57.4955 38.7527 177.4064 235 V 3.7031 7.8247 121.2921 66.1412 31.6461 178.0086 236 S 4.1014 8.0797 114.3703 61.2679 62.7976 175.9923 237 W 4.2547 8.3955 130.5235 60.7307 30.3186 177.6371 238 I 3.2843 8.5918 119.6968 64.3488 36.5715 178.6191 239 K 3.7668 8.1459 119.2043 59.5285 31.9431 179.4867 240 Q 3.8745 8.5270 118.5781 59.1169 28.3573 179.1229 241 T 3.6981 7.5385 117.1973 66.0065 68.6636 176.4685 242 I 2.6702 7.1986 121.6066 64.0235 36.7551 178.4007 243 A 3.9434 7.6441 120.5051 54.6725 18.3401 178.8912 244 S 4.4369 7.6514 110.3253 59.0959 63.3190 174.3041 245 N 4.6724 8.0821 125.6105 53.7434 39.2711 173.9547 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 16 I 7.88 4.25 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.85 0.00 0.00 17 V 8.77 4.25 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 1.08 0.00 0.00 0.95 0.00 0.00 18 G 8.52 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.73 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 0.00 0.00 0.00 0.00 20 Y 8.09 4.90 0.00 2.96 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 21 T 8.69 4.15 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 1.23 0.00 0.00 22 C 8.56 4.18 0.00 2.75 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 23 G 7.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.44 4.37 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 25 N 8.97 4.28 0.00 2.87 2.91 0.00 0.00 7.16 7.54 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 26 T 7.86 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 27 V 7.12 4.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.74 0.00 0.00 28 P 0.00 4.54 0.00 2.37 2.43 0.00 3.77 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 2.16 1.94 0.00 29 Y 7.03 5.09 0.00 3.16 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.60 4.61 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 1.88 2.54 0.00 31 V 9.02 4.85 2.25 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 1.01 0.00 0.00 0.98 0.00 0.00 32 S 8.76 4.86 0.00 3.08 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 33 L 8.39 4.73 0.00 0.35 1.06 0.73 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.33 5.65 0.00 2.37 2.41 0.00 0.00 6.78 7.58 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 *37 S 8.37 4.13 0.00 3.71 3.49 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 0.00 38 G 9.86 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.67 4.54 0.00 3.02 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 40 H 8.91 4.48 0.00 2.86 3.17 0.00 5.86 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 41 F 7.73 5.01 0.00 3.02 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 42 C 6.84 4.70 0.00 2.05 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 43 G 8.83 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 0.00 0.00 0.00 0.00 44 G 8.03 4.55 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 0.00 0.00 0.00 45 S 8.82 5.35 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.27 4.73 0.00 1.87 1.82 1.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.56 4.66 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.92 1.00 0.00 0.00 48 N 7.58 4.74 0.00 3.00 3.01 0.00 0.00 6.01 7.70 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 49 S 8.63 4.37 0.00 4.23 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 0.00 50 Q 9.11 4.52 0.00 2.18 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 51 W 8.50 5.52 0.00 3.30 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 52 V 9.30 5.00 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 1.15 0.00 0.00 0.98 0.00 0.00 53 V 9.25 4.77 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 1.03 0.00 0.00 1.03 0.00 0.00 54 S 9.04 5.00 0.00 3.89 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 55 A 8.42 4.79 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 56 A 8.42 3.74 0.31 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 57 H 8.38 4.50 0.00 3.37 3.57 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.92 4.68 0.00 3.19 3.26 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 59 Y 7.80 4.28 0.00 2.88 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 60 K 6.90 3.60 0.00 1.47 1.36 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.96 7.81 61 S 8.06 4.20 0.00 3.91 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 62 G 8.31 3.77 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 0.00 0.00 0.00 63 I 7.59 4.03 1.85 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 1.36 0.73 0.93 0.00 0.00 64 Q 9.13 4.70 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 65 V 8.87 4.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.89 0.00 0.00 66 R 9.11 5.10 0.00 1.53 1.93 0.00 2.68 0.00 0.00 2.64 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.22 0.00 67 L 8.84 4.64 0.00 1.70 1.65 1.04 0.64 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 *69 G 8.28 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 70 E 8.23 4.31 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 71 D 8.06 4.84 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 72 N 8.94 4.90 0.00 2.79 2.83 0.00 0.00 7.19 7.55 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 73 I 8.89 3.82 1.42 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 -0.47 0.00 0.00 74 N 8.69 4.84 0.00 2.82 2.87 0.00 0.00 6.62 7.24 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 75 V 7.52 4.34 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.48 3.97 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 0.97 0.00 0.00 77 E 9.52 4.43 0.00 1.95 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 2.27 2.44 0.00 78 G 8.24 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.94 4.54 0.00 2.96 3.04 0.00 0.00 7.01 7.66 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 80 E 7.71 4.47 0.00 1.50 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 81 Q 9.03 4.41 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 82 F 8.68 5.50 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.90 4.68 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 1.24 0.71 0.92 0.00 0.00 84 S 8.74 4.67 0.00 3.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.72 4.55 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.15 4.61 0.00 3.76 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 87 K 7.62 4.68 0.00 1.54 1.71 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.40 7.81 88 S 8.87 5.02 0.00 4.05 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 89 I 9.51 4.44 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 1.05 0.00 0.00 90 V 8.29 4.12 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 0.66 0.00 0.00 0.75 0.00 0.00 91 H 8.78 3.86 0.00 2.95 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.24 0.00 2.08 2.15 0.00 3.42 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 2.24 0.00 93 S 7.86 4.67 0.00 3.96 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 94 Y 8.17 4.39 0.00 2.87 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 95 N 8.12 4.75 0.00 2.58 2.41 0.00 0.00 6.71 7.23 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 96 S 7.94 3.92 0.00 3.98 3.85 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 97 N 8.52 4.44 0.00 2.66 2.77 0.00 0.00 6.89 7.52 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 98 T 7.77 3.92 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 1.09 0.00 0.00 99 L 7.95 4.22 0.00 1.50 1.90 1.02 1.21 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 0.00 100 N 7.41 4.39 0.00 2.69 2.66 0.00 0.00 7.25 6.59 0.00 0.00 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 N 8.77 4.83 0.00 3.08 2.70 0.00 0.00 7.24 8.06 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 0.00 102 D 8.03 4.73 0.00 3.10 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 0.00 103 I 7.23 4.74 1.37 0.00 0.00 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 1.30 1.20 0.11 0.00 0.00 104 M 9.15 5.47 0.00 2.24 1.83 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 105 L 9.54 5.29 0.00 1.73 1.92 0.24 0.71 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 0.00 106 I 8.94 5.06 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.92 0.00 0.00 107 K 8.47 3.77 0.00 0.79 1.08 0.00 1.43 0.00 0.00 1.30 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.46 0.21 7.81 108 L 8.01 4.32 0.00 1.45 1.60 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.76 4.01 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 110 S 7.76 4.70 0.00 3.82 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 0.00 111 A 8.36 4.40 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 0.00 112 A 9.27 4.28 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 0.00 113 S 9.13 4.51 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.53 4.50 0.00 1.68 1.61 0.96 1.06 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 0.00 115 N 9.15 4.90 0.00 2.86 2.92 0.00 0.00 6.38 8.28 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 0.00 116 S 8.62 4.24 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.98 4.07 0.00 2.14 2.02 0.00 3.12 0.00 0.00 3.10 7.34 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.54 4.51 0.00 4.00 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 0.00 128 C 8.43 4.46 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.17 4.34 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.02 4.52 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 A 8.23 4.30 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 0.00 133 G 9.60 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 0.00 0.00 0.00 134 T 7.43 3.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 135 Q 8.62 4.84 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 136 C 9.31 5.30 0.00 2.88 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.04 5.21 0.00 1.75 1.58 1.01 1.08 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 0.00 138 I 9.18 5.30 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.60 0.95 0.00 0.00 139 S 8.48 4.88 0.00 3.55 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.63 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 0.00 141 W 8.68 4.68 0.00 3.04 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 0.00 142 G 8.69 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.96 3.66 0.00 2.45 2.67 0.00 0.00 7.16 7.72 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 0.00 144 T 8.38 5.10 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 1.26 0.00 0.00 145 K 7.62 4.68 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.30 7.81 146 S 8.71 4.46 0.00 3.98 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 0.00 147 S 7.50 4.48 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.04 4.74 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 1.27 0.00 0.00 150 S 9.34 4.49 0.00 3.78 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 0.00 151 Y 8.73 5.08 0.00 2.97 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 0.00 152 P 0.00 4.82 0.00 2.45 2.09 0.00 4.22 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 153 D 8.70 4.69 0.00 2.71 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 0.00 154 V 7.65 5.36 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 1.10 0.00 0.00 0.97 0.00 0.00 155 L 8.57 3.10 0.00 1.25 1.24 -0.61 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.21 4.84 0.00 1.66 1.50 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.47 7.81 157 C 8.42 5.17 0.00 1.52 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 0.00 0.00 0.00 158 L 8.73 4.96 0.00 1.67 1.46 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 159 K 9.08 5.09 0.00 1.82 1.83 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.49 7.81 160 A 9.28 4.78 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 0.00 161 P 0.00 5.03 0.00 2.02 2.09 0.00 3.19 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 162 I 8.64 4.40 1.89 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.75 0.83 0.00 0.00 163 L 8.76 4.87 0.00 1.50 1.60 0.91 0.91 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 0.00 164 S 8.40 4.37 0.00 4.00 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 0.00 165 D 8.92 4.43 0.00 2.80 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 0.00 166 S 8.03 4.10 0.00 3.89 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 0.00 167 S 7.97 4.24 0.00 3.92 3.88 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 0.00 168 C 8.32 4.31 0.00 3.18 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.36 4.01 0.00 1.89 1.89 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.55 7.81 170 S 8.45 4.13 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.14 4.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.74 4.93 0.00 3.15 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 0.00 173 P 0.00 4.78 0.00 2.22 2.09 0.00 3.62 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 174 G 8.90 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.30 4.52 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 176 I 7.86 4.41 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.04 1.01 0.00 0.00 177 T 8.26 4.50 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 0.00 178 S 8.54 4.34 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 7.95 4.97 0.00 3.15 3.12 0.00 0.00 6.64 7.54 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 0.00 180 M 8.15 5.54 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 181 F 8.77 5.16 0.00 3.01 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.17 5.74 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.08 5.05 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 0.00 184 G 7.34 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 184A Y 8.50 4.64 0.00 2.99 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 0.00 185 L 8.66 4.15 0.00 1.73 1.72 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.26 4.13 0.00 2.10 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 2.31 2.26 0.00 187 G 7.69 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 0.00 188 G 9.77 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A K 7.42 4.92 0.00 1.43 1.67 0.00 1.47 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.26 7.81 189 D 9.02 4.70 0.00 2.77 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 0.00 190 S 8.25 4.92 0.00 4.01 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 0.00 191 C 8.97 4.78 0.00 2.98 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 0.00 192 Q 8.55 4.49 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.13 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 193 G 9.25 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.36 4.68 0.00 3.00 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 0.00 195 S 8.11 4.40 0.00 3.98 3.87 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 0.00 196 G 8.63 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 0.00 197 G 7.97 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 0.00 0.00 0.00 0.00 198 P 0.00 4.84 0.00 2.35 2.39 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 199 V 8.74 4.52 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.50 0.00 0.00 200 V 8.82 4.87 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 0.69 0.00 0.00 0.56 0.00 0.00 201 C 8.96 5.08 0.00 2.76 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.97 3.73 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.71 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 0.00 204 K 7.69 4.69 0.00 1.71 1.63 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.40 7.81 *209 L 8.26 4.27 0.00 1.56 1.65 0.96 0.76 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 0.00 210 Q 9.07 4.53 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.44 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 8.08 5.32 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 0.00 212 I 8.14 5.26 1.90 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 1.28 1.08 0.94 0.00 0.00 213 V 8.92 3.80 2.38 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 0.96 0.00 0.00 1.15 0.00 0.00 214 S 8.57 4.91 0.00 3.88 3.77 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 0.00 215 W 7.52 4.99 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.32 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 0.00 217 S 8.48 4.53 0.00 4.23 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 0.00 *219 G 8.12 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 0.00 0.00 0.00 0.00 220 C 8.15 4.97 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 A 9.09 4.19 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 221A Q 7.36 4.61 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 222 K 8.41 4.25 0.00 1.72 1.72 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.53 7.81 223 N 9.13 4.29 0.00 2.83 2.87 0.00 0.00 6.77 7.53 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 0.00 224 K 7.63 4.19 0.00 1.78 1.87 0.00 1.73 0.00 0.00 1.99 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.27 7.81 225 P 0.00 4.68 0.00 2.11 2.08 0.00 3.52 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 226 G 8.45 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.85 4.32 0.67 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 0.33 0.00 0.00 -0.77 0.00 0.00 228 Y 8.11 4.96 0.00 1.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.54 4.21 4.25 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 1.12 0.00 0.00 230 K 9.38 5.07 0.00 2.13 1.94 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.68 7.81 231 V 9.03 3.96 2.34 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 1.13 0.00 0.00 1.10 0.00 0.00 232 C 8.32 4.41 0.00 3.17 3.23 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 0.00 233 N 8.21 4.25 0.00 2.38 2.41 0.00 0.00 6.81 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 7.81 4.73 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 7.82 3.70 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 1.17 0.00 0.00 1.09 0.00 0.00 236 S 8.08 4.10 0.00 3.98 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 0.00 237 W 8.40 4.25 0.00 3.51 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 0.00 238 I 8.59 3.28 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.07 0.80 0.00 0.00 239 K 8.15 3.77 0.00 1.85 1.77 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.65 7.81 240 Q 8.53 3.87 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 241 T 7.54 3.70 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 242 I 7.20 2.67 1.34 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.17 0.00 0.00 243 A 7.64 3.94 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 0.00 244 S 7.65 4.44 0.00 4.04 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 N 8.08 4.67 0.00 3.02 3.01 0.00 0.00 6.77 7.09 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 * Residues marked with a * may have inaccurate shift predictions.