NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3400 8.3027 121.7345 56.0526 30.5273 175.2852 2 V 4.1602 7.6243 119.7506 62.2371 32.5303 174.1169 3 K 4.7803 10.4182 128.6955 54.5559 36.1733 174.8167 4 L 4.9406 8.6754 123.3069 53.0082 44.9012 175.6846 5 L 4.6775 8.8956 127.2110 53.2852 44.1813 175.5056 6 E 5.1678 8.8759 126.0970 56.2104 31.1840 175.6450 7 S 4.5235 9.1395 115.3010 58.1077 66.6556 175.2868 8 G 3.9764 9.1781 108.1284 45.1205 0.0000 174.0269 9 G 3.7433 7.4613 108.3591 44.5446 0.0000 173.6306 10 G 3.7206 7.4216 104.8859 44.7292 0.0000 170.7399 11 L 4.8281 7.9381 122.4188 54.3101 43.0232 176.9467 12 A 4.8663 9.2027 127.2740 50.1143 23.1296 174.4364 13 Q 4.9426 8.4928 120.6059 54.0177 30.9673 173.5227 14 P 4.5402 0.0000 0.0000 64.5886 31.6182 176.5415 15 G 3.9463 9.7764 111.9971 45.1880 0.0000 173.7526 16 G 4.1355 7.9637 107.1313 45.5581 0.0000 172.6071 17 S 5.3327 8.3972 112.8276 56.7218 66.4497 173.1501 18 L 4.5866 8.9025 121.7721 53.5515 45.9515 174.3237 19 K 4.7016 8.5124 125.6897 54.7839 34.0899 175.0364 20 L 4.9107 8.7487 128.3785 53.4299 44.3540 175.7825 21 S 5.5774 9.0415 115.3371 57.2916 67.6022 171.8286 22 C 5.4469 9.0243 119.1237 55.1633 48.0345 172.1170 23 A 5.0977 9.0681 128.0621 50.2694 20.6535 175.4969 24 A 5.3281 8.1469 124.4218 50.4114 22.0117 175.4893 25 S 4.2104 8.9604 113.5128 58.1784 66.6338 175.7304 26 G 4.4143 10.9032 108.5263 46.4644 0.0000 172.6332 27 F 4.8123 6.8748 112.2976 55.9306 40.5761 174.5794 28 D 4.6182 8.8185 121.3859 52.4838 39.6288 175.8493 29 F 3.9298 8.0907 126.4281 60.8355 39.7323 177.5469 30 R 3.9540 8.2633 118.5040 58.5047 29.8348 176.7638 31 R 4.5018 8.4142 112.8696 55.7729 29.6237 174.9584 32 Y 4.9660 7.6872 115.1222 56.2554 41.1923 175.6626 33 W 4.3661 9.1240 122.0647 56.9793 30.8557 175.1483 34 M 5.2686 8.9156 121.9279 54.0726 35.6177 174.7899 35 T 5.1431 8.9003 116.4519 61.8540 73.8530 172.8539 36 W 5.2735 8.7374 123.1268 55.0710 32.4045 175.0253 37 V 5.1943 9.0955 122.8972 61.2840 35.0277 174.1219 38 R 5.0328 9.2093 121.8879 54.5191 33.5117 174.1652 39 Q 4.6957 8.9526 120.6222 54.5591 32.0814 174.2267 40 A 4.7734 8.6138 128.4805 50.3825 20.5499 174.6735 41 P 4.3729 0.0000 0.0000 64.1527 31.7527 177.0876 42 G 3.9549 9.0325 109.7794 45.9663 0.0000 172.5679 43 K 4.6731 7.9811 117.8437 54.1167 35.9152 175.6773 44 G 4.0624 8.2034 108.5226 44.4626 0.0000 173.3080 45 L 4.5555 8.2339 118.5755 54.8424 42.7224 176.8210 46 E 4.7298 9.2569 122.5451 54.0746 32.8327 174.3958 47 W 4.5489 9.2737 135.0000 58.2167 31.1617 175.0827 48 I 4.2183 8.4882 128.1129 61.7520 38.5889 175.9244 49 G 3.0700 6.2598 106.2559 45.9922 0.0000 170.6402 50 E 5.3478 8.0196 116.7734 55.1341 33.9491 174.2046 51 I 5.0042 8.6626 119.8785 59.4484 41.9496 174.3616 52 N 3.1400 8.1831 127.0012 50.9069 38.4169 174.2779 52A P 3.9002 0.0000 0.0000 65.6303 31.2265 177.3575 53 D 4.5492 7.6715 113.7996 52.6966 39.3654 176.9835 54 S 3.6552 7.7020 112.9607 59.6245 61.3669 173.1698 55 R 4.0342 8.9515 120.0792 58.0674 30.2979 176.4912 56 T 4.6316 8.4339 115.6142 61.6032 71.4273 173.3252 57 I 4.9547 8.3929 126.5649 59.6513 40.6889 174.4046 58 N 5.1764 8.7804 124.1348 51.6764 41.3269 173.5630 59 Y 5.1463 8.5153 119.1336 55.8478 42.1317 175.0313 60 M 4.5983 9.3193 122.2521 55.7192 33.0184 175.3496 61 P 4.3203 0.0000 0.0000 65.8922 31.8052 178.6045 62 S 4.1000 8.1882 110.7755 60.8251 63.3176 174.6890 63 L 4.1168 7.9844 119.3479 53.9196 41.6467 177.8823 64 K 3.7396 7.4413 122.6771 59.0522 31.9213 176.8366 65 D 4.6970 7.6618 113.2086 52.6805 40.6341 176.3752 66 K 3.9353 7.4753 121.7379 58.0498 32.6851 175.8972 67 F 5.7406 7.3044 115.3818 55.6918 42.1783 175.3820 68 I 4.7636 8.6224 121.0543 59.7748 40.6923 174.4572 69 I 5.2747 9.9184 129.0720 59.9023 39.5505 175.0010 70 S 4.9504 9.0753 119.5467 57.7096 66.9249 172.6516 71 R 5.1053 8.4352 115.4302 55.2237 32.9308 174.5148 72 D 4.7256 9.1986 119.0545 52.4414 42.7026 175.5527 73 N 4.6635 9.0199 124.0201 56.0101 39.0641 177.7336 74 A 3.9984 8.2227 120.1752 54.4599 18.5808 178.0534 75 K 4.3111 8.2318 112.5492 55.2936 32.7310 176.0290 76 N 3.1400 7.3502 115.8919 54.3266 36.7966 173.6906 77 S 4.8666 7.1982 111.1502 56.4045 67.5423 174.1445 78 L 5.0415 8.2337 123.7029 53.5042 45.3051 174.8101 79 Y 5.6834 9.3943 122.3868 56.2820 42.5230 174.3625 80 L 4.6846 8.8476 123.8553 53.3951 45.4161 174.7497 81 Q 4.7889 9.1695 129.0977 54.6776 30.6822 174.0384 82 L 5.3190 9.1047 128.0165 53.4300 43.9472 175.9267 82A S 4.9247 8.2947 115.8340 56.4016 66.7809 173.2598 82B R 3.7826 8.5587 115.8971 56.9474 27.4835 177.2864 82C L 4.3423 7.9121 117.0202 55.2141 42.5577 177.3471 83 R 5.0573 9.0858 121.0729 53.8399 34.2136 176.6065 84 S 4.1883 8.6822 113.5327 61.4432 62.9172 176.2660 85 E 4.0631 8.2295 117.4098 58.3552 29.2784 176.9591 86 D 4.8374 8.1380 118.6513 54.7286 41.3840 176.5692 87 S 4.6153 8.3695 117.4157 58.5537 63.4398 173.6133 88 A 4.3508 8.6477 125.6407 51.8442 23.5693 174.4686 89 L 4.7365 8.1067 119.3876 54.1874 43.4181 175.9383 90 Y 4.8216 8.8671 121.8789 56.5348 40.2864 174.2624 91 Y 5.4657 9.8659 123.0836 56.4742 41.2780 173.8513 92 C 4.1850 10.0373 124.4717 55.1207 41.7418 172.4955 93 V 4.5607 8.3207 126.0058 60.9039 34.5827 173.9276 94 R 4.5432 8.5995 127.7138 55.0836 31.7681 174.4831 95 L 4.9886 8.4193 128.4142 53.3903 43.9506 175.1565 96 D 4.8919 9.5738 127.7891 53.8083 42.1715 174.9522 97 F 4.6978 9.1346 129.8892 56.9728 40.5905 174.4125 98 D 4.9774 8.4511 128.2881 51.8129 40.9721 176.5783 99 V 3.9084 8.2328 123.4901 63.5652 32.1949 178.7646 100 Y 4.1583 8.3053 120.8729 60.3475 38.6454 176.1723 100A N 4.3976 8.0386 113.4337 52.2578 39.3888 174.6093 100B H 3.7466 7.2023 114.6067 57.2925 26.8061 174.5442 100C Y 4.3960 7.3295 119.6645 55.8191 42.1852 174.7738 100D Y 4.8680 7.7622 123.5205 56.2189 41.9493 174.4662 100E V 4.4158 8.3091 124.1170 61.0154 35.1465 174.9216 100F L 4.7680 8.6371 128.2450 54.2282 39.8678 176.3316 101 D 4.4637 8.7847 122.4866 56.0782 40.1452 176.4486 102 Y 4.8208 8.0057 117.5811 55.1539 40.7268 174.4534 103 W 5.1273 9.0159 122.3887 54.8456 32.6879 175.6463 104 G 4.1230 8.9789 111.2678 45.7417 0.0000 173.5398 105 Q 4.5631 8.9230 116.8751 55.7048 29.1135 177.6284 106 G 3.8917 8.9021 102.9070 45.7279 0.0000 172.8101 107 T 4.6151 8.2792 113.5870 59.8868 70.6554 172.9272 108 S 4.6291 8.6437 123.4813 58.1003 64.1056 172.6434 109 V 4.9053 8.8987 126.0835 61.4582 34.8091 174.1048 110 T 4.8987 8.9962 123.9534 61.7189 72.0957 172.8705 111 V 4.8438 8.3786 126.6494 61.7119 32.7488 174.6781 112 S 4.7965 8.7888 120.8517 57.9477 65.6493 175.2662 113 S 4.4749 8.8775 117.7008 58.2842 63.5105 174.0841 114 A 4.1966 7.6470 124.5467 52.2174 18.8366 176.8438 115 S 4.9142 8.0270 115.3310 56.8976 64.9159 174.7286 116 T 4.6476 8.3446 113.1950 62.0351 69.6184 173.6325 117 K 4.6949 9.7045 125.1971 54.7998 35.8498 175.8315 118 G 4.3167 8.8728 114.2904 45.3394 0.0000 171.3124 119 P 5.0170 0.0000 0.0000 62.3606 33.1406 175.2845 120 S 4.5876 8.6212 116.8902 56.7550 65.3317 173.3837 121 V 4.4105 7.8787 124.0214 61.2598 32.8741 174.4723 122 F 5.2768 8.6519 127.6095 55.0750 41.6644 173.5867 123 P 4.9051 0.0000 0.0000 62.8369 32.6779 176.4722 124 L 4.7502 9.0009 123.5294 52.4380 41.3537 175.0206 125 A 4.4354 8.3165 123.4920 51.3014 19.5517 175.4078 126 P 4.5592 0.0000 0.0000 61.7781 31.7488 177.0407 127 S 4.5719 8.4568 124.6084 58.4087 63.1836 173.8135 128 S 4.9964 7.5240 111.6055 56.0163 66.0061 172.4852 129 K 4.6729 8.1864 123.2198 54.3907 34.2784 177.5804 130 S 5.1782 8.2516 113.6277 60.4519 63.5771 176.0881 124 T 4.7602 8.9909 115.3294 59.1380 68.7537 172.1206 125 S 4.5854 8.3865 115.3920 57.1014 64.2517 172.2078 126 G 4.0992 8.5398 108.8616 43.5781 0.0000 174.6407 127 G 4.0619 8.4768 117.7084 45.2087 0.0000 174.1135 128 T 4.8764 7.3640 109.5055 59.5163 72.0061 172.5852 129 A 4.6729 8.1364 126.6198 50.6907 20.2785 178.7804 130 A 5.0282 8.1816 121.7277 54.6519 18.8771 179.2881 140 L 4.7187 8.2471 120.9354 55.0170 44.6513 175.5130 141 G 4.2707 7.8065 103.8203 46.8170 0.0000 172.8398 142 C 5.4448 9.4919 116.8375 55.1355 44.3549 173.2411 143 L 4.9181 9.5044 125.8760 53.7214 43.6259 175.4449 144 V 4.6699 9.0593 128.9870 61.3978 32.5192 174.5264 145 K 4.8918 8.5537 127.0411 55.0276 36.2000 175.0470 146 D 4.7743 8.2918 119.1038 55.7474 38.2352 172.1436 147 Y 5.2006 6.6129 117.5887 55.5017 42.9193 175.7883 148 F 5.0559 9.1441 118.9246 57.3030 43.5562 171.7903 149 P 3.9030 0.0000 0.0000 61.2721 33.9269 175.0717 150 E 4.1820 8.3038 118.4324 56.1013 29.9889 173.8059 151 P 4.9785 0.0000 0.0000 60.9976 34.2239 173.8575 152 V 4.6628 7.9150 110.4158 59.6049 35.0131 175.4997 153 T 4.6880 8.7077 112.9985 59.9346 72.0571 173.1018 154 V 5.3433 8.2081 122.4790 60.0888 35.0485 174.4090 *156 S 5.0853 8.4421 120.7267 58.2983 65.2631 172.1157 157 W 5.4915 8.3403 119.3066 53.5142 32.0159 176.2167 *162 N 4.7458 8.2094 121.9025 54.7323 39.1474 174.5641 163 S 3.8320 9.6532 106.3766 59.5033 61.6702 174.5277 164 G 4.0213 8.0108 108.3624 45.2944 0.0000 175.7093 165 A 4.0061 8.1258 122.7967 54.4876 18.4887 177.4590 166 L 4.5809 7.9123 118.2716 53.9659 42.4329 175.7280 167 T 4.5807 8.2888 114.4448 60.9905 70.4159 173.9123 168 S 4.1506 8.0721 117.5412 58.9874 63.1635 173.7916 169 G 3.6391 8.5832 115.3047 45.6013 0.0000 172.2147 *171 V 4.1600 7.3235 117.8053 62.8967 32.7465 174.5441 172 H 4.6824 9.2040 123.6603 54.5205 32.4370 172.4010 173 T 4.9005 8.3173 120.7162 61.6594 69.8544 174.7386 174 F 4.5525 8.9664 126.3846 56.1066 39.9950 174.1395 175 P 4.4056 0.0000 0.0000 62.4568 31.8757 176.2283 176 A 4.5830 8.5895 122.9987 52.4928 19.4399 176.9356 177 V 4.5484 8.9271 113.3713 59.3721 35.3446 174.9849 178 L 4.2414 8.5176 126.3992 54.1872 42.4288 176.4184 179 Q 4.3650 8.7090 126.4287 55.2137 30.0094 177.8249 180 S 3.9030 8.6341 115.2254 61.2991 63.1200 176.3058 *182 S 4.3753 7.3971 112.7929 57.2228 64.3904 174.5537 183 G 3.7467 8.2627 109.2670 44.9388 0.0000 172.8538 184 L 4.7266 7.2416 119.3549 52.9022 45.0232 175.7992 185 Y 4.8085 8.3474 119.6550 57.8259 39.9337 174.3815 186 S 5.2506 8.5945 113.6513 57.7069 66.4996 173.0255 187 L 5.0055 9.3655 125.1340 55.2745 44.2239 173.8441 188 S 5.4638 8.8817 114.3266 56.9230 67.4501 173.2032 189 S 5.2222 9.2885 116.4595 56.9925 65.4292 173.2751 190 V 5.2053 9.1770 119.9949 59.8756 36.0893 174.8131 191 V 5.1524 8.6884 120.4363 61.1150 34.7680 172.9585 192 T 5.4996 8.1850 113.3113 60.5702 70.5203 173.8428 193 V 4.5818 7.8009 117.1125 58.6968 36.6717 172.7678 194 P 4.8887 0.0000 0.0000 62.5102 31.9147 177.1161 195 S 4.1754 8.9005 119.9431 61.7311 62.9117 176.1182 196 S 4.2873 8.0716 113.1121 61.2705 63.1094 175.7329 197 S 4.3475 9.0020 117.9273 61.6143 62.9835 177.0013 198 L 4.0116 7.8916 119.5220 57.7778 41.6119 178.6393 199 G 3.8088 8.0829 105.8300 47.4858 0.0000 174.3009 200 T 4.1394 8.4481 116.3026 64.8571 69.9540 174.4476 *203 Q 4.1045 7.5738 120.4807 56.0403 29.9067 173.5220 *205 T 4.4058 8.1765 120.1618 63.7011 70.0115 172.6899 206 Y 5.0522 8.4263 122.9655 56.4203 41.0630 174.5423 207 I 5.1887 9.1925 125.5272 59.4964 41.1362 172.0786 208 C 4.0905 8.6226 121.6631 53.5133 38.2731 172.3378 209 N 5.1441 9.1462 121.8061 51.0415 39.9377 173.9039 210 V 4.5945 8.8702 125.0596 61.1311 34.2059 174.1601 211 N 5.1784 8.8030 125.1021 52.3296 42.3324 172.3821 212 H 4.7786 9.4070 126.4285 53.9997 31.2905 173.8493 213 K 3.8521 8.5987 124.8074 58.8137 32.2498 177.7552 214 P 3.6833 0.0000 0.0000 64.9674 31.2068 177.0178 215 S 4.6411 7.7168 109.1300 56.9216 63.5394 173.3652 216 N 4.1271 8.5191 117.5289 55.2266 36.6961 174.1275 217 T 4.6676 7.9577 113.4230 61.6945 71.5444 174.7880 218 K 4.9130 8.5121 126.2585 54.7742 35.1222 175.2718 219 V 4.4121 9.0222 127.3339 61.1449 34.9933 174.0160 220 D 5.1101 8.6161 126.1512 52.5325 43.6500 173.9219 221 K 4.5269 8.4169 125.4535 54.5326 34.2039 174.8891 222 K 4.8380 8.6440 128.8101 55.4647 33.7439 175.4642 223 V 4.2725 8.9562 128.1233 61.4337 33.1139 174.8665 *226 E 4.9328 8.5557 126.0484 55.5261 30.6111 173.6716 227 P 4.4186 0.0000 0.0000 61.8702 31.9127 176.7991 228 K 3.8395 8.5800 124.7471 56.6304 32.7830 175.4205 *232 S 4.4076 8.1985 118.4520 58.5631 63.3388 173.1766 233 C 4.3488 8.5740 122.4923 59.9609 28.1372 173.6858 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 1 E 8.30 4.34 0.00 2.09 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 2.28 2.34 0.00 2 V 7.62 4.16 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 0.24 0.00 0.00 0.16 0.00 0.00 3 K 10.42 4.78 0.00 1.67 1.67 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 4 L 8.68 4.94 0.00 1.54 1.57 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.90 4.68 0.00 1.74 1.50 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.88 5.17 0.00 1.98 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 2.51 2.42 0.00 7 S 9.14 4.52 0.00 3.89 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 8 G 9.18 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 9 G 7.46 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 0.00 0.00 0.00 10 G 7.42 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 11 L 7.94 4.83 0.00 1.62 1.59 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 A 9.20 4.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.49 4.94 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 14 P 0.00 4.54 0.00 2.23 2.09 0.00 3.84 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 2.01 2.00 0.00 15 G 9.78 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.40 5.33 0.00 3.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.90 4.59 0.00 1.59 1.29 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.51 4.70 0.00 1.85 1.59 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.55 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.24 1.46 7.81 20 L 8.75 4.91 0.00 0.98 1.37 0.16 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.04 5.58 0.00 4.00 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 22 C 9.02 5.45 0.00 2.93 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 23 A 9.07 5.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.15 5.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.96 4.21 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 26 G 10.90 4.41 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 0.00 27 F 6.87 4.81 0.00 3.09 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 28 D 8.82 4.62 0.00 2.95 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 29 F 8.09 3.93 0.00 2.68 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.26 3.95 0.00 1.87 1.99 0.00 3.27 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 R 8.41 4.50 0.00 1.72 1.90 0.00 3.04 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.49 0.00 32 Y 7.69 4.97 0.00 2.97 2.89 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 33 W 9.12 4.37 0.00 3.48 3.18 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 34 M 8.92 5.27 0.00 1.74 1.80 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 35 T 8.90 5.14 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 1.22 0.00 0.00 36 W 8.74 5.27 0.00 3.17 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 37 V 9.10 5.19 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 1.33 0.00 0.00 0.87 0.00 0.00 38 R 9.21 5.03 0.00 1.23 1.07 0.00 3.11 0.00 0.00 2.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 39 Q 8.95 4.70 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 40 A 8.61 4.77 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.37 0.00 2.12 2.10 0.00 3.85 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 2.11 2.15 0.00 42 G 9.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.98 4.67 0.00 1.88 1.74 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.57 7.81 44 G 8.20 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 0.00 0.00 0.00 45 L 8.23 4.56 0.00 1.67 1.81 0.86 0.78 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 46 E 9.26 4.73 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 47 W 9.27 4.55 0.00 3.34 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 48 I 8.49 4.22 2.08 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 1.33 0.78 1.06 0.00 0.00 49 G 6.26 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 0.00 0.00 0.00 50 E 8.02 5.35 0.00 2.39 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 2.73 2.59 0.00 51 I 8.66 5.00 1.83 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 1.12 1.18 0.93 0.00 0.00 52 N 8.18 3.14 0.00 1.44 1.42 0.00 0.00 6.64 7.38 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 52A P 0.00 3.90 0.00 1.82 2.28 0.00 2.92 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 53 D 7.67 4.55 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.70 3.66 0.00 4.04 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 55 R 8.95 4.03 0.00 1.89 1.94 0.00 3.07 0.00 0.00 3.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 56 T 8.43 4.63 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 57 I 8.39 4.95 1.84 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 1.26 0.55 0.52 0.00 0.00 58 N 8.78 5.18 0.00 3.02 3.02 0.00 0.00 6.33 6.82 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 59 Y 8.52 5.15 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 9.32 4.60 0.00 2.32 2.51 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.78 0.00 61 P 0.00 4.32 0.00 2.30 2.18 0.00 3.82 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 62 S 8.19 4.10 0.00 3.97 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 63 L 7.98 4.12 0.00 1.80 1.14 1.31 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.44 3.74 0.00 1.88 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.52 7.81 65 D 7.66 4.70 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.48 3.94 0.00 1.46 1.09 0.00 1.40 0.00 0.00 1.23 0.00 0.00 2.91 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.67 1.28 7.81 67 F 7.30 5.74 0.00 2.87 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 68 I 8.62 4.76 1.91 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 1.21 0.66 1.00 0.00 0.00 69 I 9.92 5.27 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.02 1.24 0.00 0.00 70 S 9.08 4.95 0.00 4.01 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 71 R 8.44 5.11 0.00 2.08 1.98 0.00 2.88 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 72 D 9.20 4.73 0.00 3.00 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 73 N 9.02 4.66 0.00 2.86 2.96 0.00 0.00 6.92 7.19 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 74 A 8.22 4.00 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 75 K 8.23 4.31 0.00 1.75 1.77 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.34 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.53 7.81 76 N 7.35 3.14 0.00 2.51 2.34 0.00 0.00 6.77 8.53 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 77 S 7.20 4.87 0.00 3.52 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 78 L 8.23 5.04 0.00 1.83 1.34 1.03 -0.11 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 79 Y 9.39 5.68 0.00 2.99 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 80 L 8.85 4.68 0.00 0.27 0.13 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.17 4.79 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 82 L 9.10 5.32 0.00 1.45 1.52 0.25 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 82A S 8.29 4.92 0.00 3.94 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 82B R 8.56 3.78 0.00 1.90 1.99 0.00 3.15 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 82C L 7.91 4.34 0.00 1.75 1.64 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.09 5.06 0.00 1.82 1.99 0.00 3.32 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 84 S 8.68 4.19 0.00 4.07 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 85 E 8.23 4.06 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 86 D 8.14 4.84 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 87 S 8.37 4.62 0.00 3.83 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 88 A 8.65 4.35 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.11 4.74 0.00 1.49 1.02 0.96 1.05 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 90 Y 8.87 4.82 0.00 2.90 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 91 Y 9.87 5.47 0.00 3.06 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 92 C 10.04 4.18 0.00 2.58 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 93 V 8.32 4.56 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 -0.12 0.00 0.00 94 R 8.60 4.54 0.00 1.62 1.73 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 95 L 8.42 4.99 0.00 1.78 1.90 1.02 1.25 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 96 D 9.57 4.89 0.00 3.19 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 97 F 9.13 4.70 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 98 D 8.45 4.98 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.23 3.91 2.32 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 1.26 0.00 0.00 1.01 0.00 0.00 100 Y 8.31 4.16 0.00 2.81 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 100A N 8.04 4.40 0.00 2.56 2.66 0.00 0.00 7.27 9.28 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 100B H 7.20 3.75 0.00 3.15 3.24 0.00 5.59 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100C Y 7.33 4.40 0.00 2.80 2.48 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 100D Y 7.76 4.87 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100E V 8.31 4.42 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.19 0.00 0.00 100F L 8.64 4.77 0.00 1.82 1.42 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.78 4.46 0.00 2.54 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 0.00 102 Y 8.01 4.82 0.00 2.81 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 0.00 103 W 9.02 5.13 0.00 3.03 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 0.00 104 G 8.98 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 0.00 105 Q 8.92 4.56 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 106 G 8.90 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 0.00 107 T 8.28 4.62 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 1.27 0.00 0.00 108 S 8.64 4.63 0.00 3.91 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 0.00 109 V 8.90 4.91 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.68 0.00 0.00 110 T 9.00 4.90 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 1.32 0.00 0.00 111 V 8.38 4.84 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 0.76 0.00 0.00 1.00 0.00 0.00 112 S 8.79 4.80 0.00 4.11 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 0.00 113 S 8.88 4.47 0.00 4.02 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 0.00 114 A 7.65 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.03 4.91 0.00 3.90 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 0.00 116 T 8.34 4.65 4.35 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 1.33 0.00 0.00 117 K 9.70 4.69 0.00 1.86 1.79 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.45 7.81 118 G 8.87 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 0.00 119 P 0.00 5.02 0.00 2.02 1.97 0.00 3.68 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 120 S 8.62 4.59 0.00 3.49 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 0.00 121 V 7.88 4.41 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 0.69 0.00 0.00 0.77 0.00 0.00 122 F 8.65 5.28 0.00 3.07 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 0.00 123 P 0.00 4.91 0.00 2.18 2.15 0.00 3.97 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 2.09 2.10 0.00 124 L 9.00 4.75 0.00 1.82 1.71 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.32 4.44 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 0.00 126 P 0.00 4.56 0.00 1.96 2.01 0.00 3.77 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 127 S 8.46 4.57 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 0.00 128 S 7.52 5.00 0.00 3.75 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 0.00 129 K 8.19 4.67 0.00 1.84 1.68 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 130 S 8.25 5.18 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.99 4.76 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 1.21 0.00 0.00 125 S 8.39 4.59 0.00 3.63 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 0.00 126 G 8.54 4.10 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 0.00 127 G 8.48 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 0.00 0.00 0.00 128 T 7.36 4.88 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 1.21 0.00 0.00 129 A 8.14 4.67 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.18 5.03 1.53 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 0.00 140 L 8.25 4.72 0.00 1.84 1.64 0.60 0.16 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 0.00 141 G 7.81 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 0.00 142 C 9.49 5.44 0.00 2.79 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 0.00 143 L 9.50 4.92 0.00 1.88 1.89 1.10 1.17 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 0.00 144 V 9.06 4.67 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 0.82 0.00 0.00 0.89 0.00 0.00 145 K 8.55 4.89 0.00 1.96 2.01 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.60 7.81 146 D 8.29 4.77 0.00 2.97 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 0.00 147 Y 6.61 5.20 0.00 2.94 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 0.00 148 F 9.14 5.06 0.00 3.25 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 0.00 149 P 0.00 3.90 0.00 1.62 0.79 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 150 E 8.30 4.18 0.00 1.73 1.74 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 1.47 1.47 0.00 151 P 0.00 4.98 0.00 2.09 1.97 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 152 V 7.92 4.66 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 -0.44 0.00 0.00 0.68 0.00 0.00 153 T 8.71 4.69 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 0.00 154 V 8.21 5.34 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 1.10 0.00 0.00 0.86 0.00 0.00 *156 S 8.44 5.09 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 0.00 157 W 8.34 5.49 0.00 3.52 3.24 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 *162 N 8.21 4.75 0.00 3.01 2.91 0.00 0.00 7.30 7.57 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 0.00 163 S 9.65 3.83 0.00 3.99 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 0.00 164 G 8.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.13 4.01 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 0.00 166 L 7.91 4.58 0.00 1.71 1.94 0.95 0.89 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 0.00 167 T 8.29 4.58 4.26 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 1.30 0.00 0.00 168 S 8.07 4.15 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 G 8.58 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 9.00 4.35 0.00 4.20 4.15 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 0.00 198 L 7.89 4.01 0.00 1.78 1.78 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 199 G 8.08 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 T 8.45 4.14 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 1.20 0.00 0.00 *203 Q 7.57 4.10 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.68 0.00 0.00 0.00 0.00 0.00 2.15 1.33 0.00 *205 T 8.18 4.41 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 1.19 0.00 0.00 206 Y 8.43 5.05 0.00 3.08 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 0.00 207 I 9.19 5.19 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 1.33 1.12 0.92 0.00 0.00 208 C 8.62 4.09 0.00 1.49 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 0.00 209 N 9.15 5.14 0.00 2.50 2.78 0.00 0.00 6.40 7.56 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 0.00 210 V 8.87 4.59 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 0.80 0.00 0.00 0.74 0.00 0.00 211 N 8.80 5.18 0.00 2.76 2.51 0.00 0.00 6.43 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 0.00 212 H 9.41 4.78 0.00 2.96 3.05 0.00 5.67 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 0.00 213 K 8.60 3.85 0.00 1.77 1.78 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.41 7.81 214 P 0.00 3.68 0.00 1.78 2.06 0.00 3.03 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 215 S 7.72 4.64 0.00 4.00 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 0.00 216 N 8.52 4.13 0.00 2.75 2.88 0.00 0.00 6.75 7.42 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 0.00 217 T 7.96 4.67 4.26 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 1.18 0.00 0.00 218 K 8.51 4.91 0.00 1.66 1.59 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.36 7.81 219 V 9.02 4.41 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 0.84 0.00 0.00 0.86 0.00 0.00 220 D 8.62 5.11 0.00 2.54 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 0.00 221 K 8.42 4.53 0.00 1.85 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.44 7.81 222 K 8.64 4.84 0.00 1.83 1.73 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81 223 V 8.96 4.27 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 1.06 0.00 0.00 1.26 0.00 0.00 *226 E 8.56 4.93 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 227 P 0.00 4.42 0.00 2.07 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 228 K 8.58 3.84 0.00 1.81 1.70 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.77 1.46 7.81 *232 S 8.20 4.41 0.00 3.91 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 0.00 233 C 8.57 4.35 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.