NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 L 4.2693 8.2845 120.6310 54.3443 43.1728 177.1405 38 Q 4.2143 8.3962 123.6988 55.1335 29.4923 171.0296 39 D 5.0342 8.7650 119.6401 54.3471 42.3423 176.3298 40 V 3.2391 8.0095 122.4278 62.4157 31.5500 174.3696 41 P 4.3509 0.0000 0.0000 61.6475 32.5678 176.3601 42 Y 4.0791 8.6672 118.3235 60.3233 37.4372 178.8896 43 W 4.4494 6.3003 118.9369 58.9431 28.0339 178.0445 44 M 3.9353 6.1045 117.7663 57.3274 31.2731 177.6660 45 L 4.3012 7.3723 117.2242 54.4679 42.8605 176.9538 46 Q 4.2629 7.0736 118.2466 54.7500 29.5758 174.8491 47 N 4.6572 8.6004 118.9654 54.2428 39.3166 174.9738 48 R 4.4258 8.3506 125.0286 55.7411 31.2318 177.8323 49 S 4.0704 8.3244 115.4492 60.8410 63.0402 175.2254 50 E 3.7821 7.6281 121.2605 58.8393 30.0320 176.8030 51 Y 3.1699 6.9103 118.9179 55.5786 36.4252 175.6917 52 I 3.6209 7.4646 123.6057 64.7191 37.8731 177.5092 53 T 4.2595 8.2957 108.1412 62.3123 69.6809 174.5257 54 Q 5.0399 8.1232 121.9554 55.1530 30.4945 175.4516 55 G 4.3219 9.1650 108.7178 44.5163 0.0000 171.4604 56 V 5.2900 8.4287 122.3440 60.1491 34.1095 173.8935 57 D 4.8388 8.5143 126.1243 53.6728 45.0759 173.0018 58 S 4.7214 8.5596 113.4953 57.1311 66.3699 173.6003 59 S 4.4913 8.5173 114.5984 57.1250 65.7317 173.4792 60 H 4.6156 8.6871 123.8726 55.2393 29.3419 174.9012 61 I 3.8283 8.3544 124.9167 61.6232 38.6103 176.2995 62 V 4.3927 8.1312 125.9387 58.8678 35.0197 172.1367 *63 D 4.4605 8.5101 117.8828 55.6999 38.9462 176.9886 64 G 3.8892 8.9421 116.5716 46.0491 0.0000 172.5099 65 K 4.5197 7.9660 122.7375 52.8080 34.1544 180.5426 66 K 4.5238 8.2222 127.8724 54.8699 34.4511 176.0679 67 T 4.1331 8.4756 115.8989 68.9410 68.2120 177.1397 68 E 3.9644 8.2401 119.5132 61.2184 29.6432 180.5238 69 E 4.1221 8.0955 119.7007 59.3268 29.7778 178.9002 70 I 3.7555 7.5778 119.8443 64.2768 37.0968 178.2727 71 E 4.0132 8.5969 122.2806 59.9165 29.2322 180.1449 72 K 4.0391 7.8230 123.3756 59.7769 31.7152 181.2365 73 I 3.8718 7.7753 120.9058 64.2438 36.9731 178.4535 74 A 3.9387 8.1760 121.7312 55.4385 18.2751 179.8921 75 T 3.8577 8.0196 114.3332 66.4788 68.4962 176.9305 76 K 4.0193 8.2669 121.6834 59.6902 32.2799 179.0431 77 R 3.8881 8.2194 118.1629 59.2414 29.9071 178.8646 78 A 4.0748 8.3869 120.8493 55.5002 18.1558 179.9088 79 T 4.0072 7.9137 114.0184 66.8391 68.5449 177.0878 80 I 3.8602 8.1249 121.8576 64.5472 37.0331 178.6168 81 R 3.9345 8.1504 118.9118 59.1316 29.8809 179.0315 82 V 3.6158 7.7852 117.5045 66.1754 31.5143 177.9928 83 A 4.1173 7.9221 120.2804 55.3584 18.2087 179.6748 84 Q 4.0142 8.4221 116.7097 59.0738 28.7705 178.5853 85 N 4.3258 8.6369 118.0206 56.3759 38.4901 177.4874 86 I 3.6659 7.8479 121.0760 64.3008 37.1408 178.5319 87 V 3.6158 7.8451 119.0327 66.4209 31.2870 177.4085 88 H 3.9493 8.3539 117.9054 59.2089 29.5463 177.1189 89 K 3.8989 8.1326 121.3771 59.2574 32.0015 178.8564 90 L 4.0034 8.2000 119.7272 57.6196 41.5431 179.4011 91 K 2.8558 7.9016 119.8125 58.9614 31.7203 178.1910 92 E 3.7726 8.1468 119.7199 59.5153 29.3310 178.8423 93 A 4.0586 8.1118 119.0175 54.6143 18.4351 178.8472 94 Y 4.5525 7.8705 119.3041 60.3975 39.1507 177.2668 95 L 4.1504 7.8656 116.1870 54.8442 42.5047 179.7829 96 S 4.5012 7.9982 113.6056 58.4197 62.9903 175.5935 *98 T 4.1494 8.2961 123.8661 62.3740 68.3802 172.8866 99 N 4.4227 7.5982 116.8284 53.7218 39.2820 175.3880 100 R 4.5543 8.3306 121.0811 56.1869 31.8986 176.4981 101 I 4.1198 7.9955 119.4840 61.2145 37.3853 176.0132 102 K 4.1582 8.7865 125.8696 58.9825 32.3238 178.0891 103 Q 4.0388 7.9681 118.1812 55.7307 29.4352 175.6510 104 K 4.2053 8.6162 125.2340 56.4553 32.5052 176.0492 105 I 4.1342 8.6597 128.2340 59.4551 38.9862 176.4359 106 T 4.4798 7.9505 116.3058 60.4526 71.7685 175.3498 107 N 4.6183 8.7689 120.3241 57.1183 38.4207 178.0392 108 E 4.0225 8.1912 119.1663 61.5207 29.6454 180.8970 109 M 4.1627 7.5520 118.3682 58.1587 32.3112 178.5607 110 F 4.3167 8.1268 117.8649 60.6633 39.1133 177.7372 111 I 3.7770 8.0655 119.4580 64.4642 36.7317 178.1219 112 Q 4.1261 8.0598 118.7466 58.5912 29.1920 177.4762 113 M 4.2584 7.9672 119.2441 58.0623 31.8968 178.4313 114 T 3.9248 7.8636 116.7074 66.6199 68.5734 176.1981 115 Q 4.0296 8.0283 120.7726 58.9321 29.0661 176.2834 116 P 4.3982 0.0000 0.0000 65.4879 31.7332 178.4782 117 I 3.9329 7.8584 118.7682 64.5317 37.0840 177.7021 118 Y 4.0429 8.4203 120.7036 60.9704 38.4217 177.9376 119 D 4.4128 8.5686 119.1904 57.0751 41.2269 178.2798 120 S 4.3893 7.9257 113.0053 58.6969 63.5938 174.4323 121 L 4.5608 6.9451 122.9551 55.2456 42.0379 176.2008 122 M 4.7150 8.3582 120.1409 54.5663 36.7362 174.5700 123 N 4.0949 8.5366 115.7475 54.3082 36.1622 175.3720 124 V 4.3600 7.5345 116.2468 62.2257 32.4752 174.1609 125 D 4.9555 8.9070 128.2209 52.7260 43.2055 175.7822 126 R 4.7358 8.4972 123.3904 55.7522 30.1424 175.9814 127 L 4.3428 9.1786 127.5794 56.5127 42.7016 177.4228 128 G 3.9981 7.5387 102.7878 45.4703 0.0000 172.3960 129 I 5.0465 7.4667 121.8635 59.3308 41.1832 173.6230 130 Y 5.1535 9.3338 125.5841 56.6204 43.2488 173.5352 131 I 5.0381 8.8945 120.7432 59.3160 41.7045 173.6163 132 N 5.0115 9.3945 128.4460 51.9224 39.3722 174.2129 133 P 4.3512 0.0000 0.0000 65.7775 31.8947 177.4368 134 N 4.4982 8.6653 116.6354 55.6660 38.4291 175.4159 135 N 4.9207 7.8127 110.2466 51.8535 38.4569 174.9018 136 E 3.9133 8.5281 116.9660 56.5445 28.5455 174.2369 137 E 4.1868 8.2572 121.5600 56.4503 30.9127 175.5802 138 V 4.7460 8.6567 127.1688 61.9105 33.4535 174.4184 139 F 5.2240 9.7740 126.3009 55.5981 42.3159 174.1329 140 A 5.2888 9.2443 124.5803 50.0355 22.3557 174.5667 141 L 5.3193 9.2340 123.6792 53.5196 44.5733 175.7771 142 V 5.0846 8.9559 118.5351 59.6430 36.3973 174.4753 143 R 5.0880 9.2004 122.1517 54.6799 33.4421 173.7599 144 A 4.7187 9.0110 129.1662 51.6477 18.6199 177.5427 145 R 4.2542 8.9823 122.8219 58.8997 31.2925 176.4330 146 G 4.0119 7.9923 105.0370 45.8069 0.0000 171.8143 147 F 5.1821 7.8240 113.0903 55.5507 41.0921 174.1846 148 D 4.1984 8.9374 121.2896 52.8883 40.8718 176.8073 149 K 3.7214 7.8661 127.6852 59.5023 32.2695 178.0534 150 D 4.3176 7.9834 118.4110 57.0718 40.7744 178.4192 151 A 3.9710 8.1684 121.3619 55.0143 18.3804 179.3603 152 L 3.9447 8.0806 118.7827 58.4596 42.1736 178.9694 153 S 4.1220 8.2222 115.1730 62.0242 62.6368 176.6523 154 E 4.1234 8.1848 119.4633 59.5379 29.6297 179.5647 155 G 3.7530 8.1901 105.5567 47.8488 0.0000 175.8566 156 L 4.0426 8.3691 122.0879 57.7456 41.4200 179.2313 157 H 4.3366 8.2833 115.1126 57.8846 28.6093 176.8123 158 K 4.4627 7.4898 117.9924 56.4319 32.4702 175.9254 159 M 4.4549 7.7210 120.3027 54.1689 34.6667 176.3275 160 S 4.5370 8.1825 114.9782 58.0937 61.8088 174.5588 161 L 4.7637 7.2498 119.5679 52.5556 44.2238 177.7318 162 D 4.6599 9.4157 124.3496 52.8242 41.5697 177.1580 163 N 4.3710 8.6577 116.9521 56.6399 38.4867 177.4196 164 Q 3.9560 8.1341 120.0800 58.9933 29.1717 177.8430 165 A 3.9928 8.8350 122.1930 55.2029 18.3950 179.7174 166 V 3.4563 7.8347 116.6955 66.2369 31.5728 178.1291 167 S 4.1014 8.1881 112.8062 61.5141 62.1283 176.2600 168 I 3.7975 7.9697 122.5144 64.2193 36.8729 178.4184 169 L 4.0127 8.2616 120.2355 57.8851 41.4760 179.7875 170 V 3.6754 8.1215 118.1146 65.8050 31.4546 177.7311 171 A 4.0641 8.0757 120.6680 55.2635 18.1402 179.5774 172 K 4.0972 8.3700 118.3558 59.6001 32.2503 179.2212 173 V 3.4875 7.9075 118.6438 65.8235 31.2902 177.5570 174 E 4.3190 8.4938 119.1394 59.5802 29.4426 178.7025 175 E 4.0252 8.4645 118.5764 59.3943 29.2763 179.2752 176 I 3.6857 7.8342 119.1632 64.5699 37.3738 178.2089 177 F 4.1904 8.3074 118.4701 60.3562 38.7474 177.9101 178 K 4.0260 8.5417 118.4698 59.6978 32.0409 178.9476 179 D 4.4704 8.5721 118.7753 56.2488 40.7739 178.4443 180 S 3.1707 7.6241 114.6187 60.1278 61.4332 176.5370 181 V 3.5327 7.1402 116.0079 64.3745 30.9706 177.8100 182 N 4.4759 7.7704 114.9215 55.1011 38.5063 175.7126 183 Y 4.5817 6.9002 118.1720 55.6603 39.8206 177.7050 184 G 3.6594 8.0857 107.7710 46.9426 0.0000 173.6130 185 D 4.8143 8.6985 122.0550 53.3828 40.8283 176.4015 186 V 3.4577 7.5400 119.6155 61.9470 31.8202 173.8168 187 K 3.0189 7.7685 121.6456 56.2801 33.2919 177.0356 188 V 2.9248 7.2836 120.8476 62.5734 32.5204 174.0092 189 P 4.3127 0.0000 0.0000 62.9920 31.9893 177.0880 190 I 3.9555 8.1923 117.9175 60.2737 35.4414 175.9417 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 37 L 8.28 4.27 0.00 1.68 1.71 0.93 0.55 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 38 Q 8.40 4.21 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.03 0.00 39 D 8.77 5.03 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.01 3.24 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.57 0.00 0.00 41 P 0.00 4.35 0.00 1.13 1.74 0.00 2.28 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.67 0.00 42 Y 8.67 4.08 0.00 3.18 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 43 W 6.30 4.45 0.00 3.31 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 44 M 6.10 3.94 0.00 1.55 1.52 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 1.18 0.81 0.00 45 L 7.37 4.30 0.00 1.64 1.63 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.07 4.26 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 47 N 8.60 4.66 0.00 2.65 2.69 0.00 0.00 6.81 7.65 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 48 R 8.35 4.43 0.00 1.93 1.99 0.00 3.74 0.00 0.00 3.61 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 49 S 8.32 4.07 0.00 3.88 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 50 E 7.63 3.78 0.00 1.61 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 2.04 2.19 0.00 51 Y 6.91 3.17 0.00 2.84 2.35 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 52 I 7.46 3.62 1.89 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 1.41 0.60 0.85 0.00 0.00 53 T 8.30 4.26 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 0.44 0.00 0.00 54 Q 8.12 5.04 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 55 G 9.16 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 56 V 8.43 5.29 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 1.37 0.00 0.00 1.09 0.00 0.00 57 D 8.51 4.84 0.00 2.71 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.56 4.72 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 59 S 8.52 4.49 0.00 3.78 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.69 4.62 0.00 3.14 3.20 0.00 5.95 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 61 I 8.35 3.83 1.89 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 1.29 0.63 0.93 0.00 0.00 62 V 8.13 4.39 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 0.73 0.00 0.00 0.93 0.00 0.00 *63 D 8.51 4.46 0.00 2.69 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 64 G 8.94 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 65 K 7.97 4.52 0.00 1.78 1.57 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.21 7.81 66 K 8.22 4.52 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.09 7.81 67 T 8.48 4.13 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 1.28 0.00 0.00 68 E 8.24 3.96 0.00 1.97 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 2.32 1.95 0.00 69 E 8.10 4.12 0.00 2.07 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 0.00 2.37 2.46 0.00 70 I 7.58 3.76 1.99 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 1.71 0.70 0.89 0.00 0.00 71 E 8.60 4.01 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 72 K 7.82 4.04 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 73 I 7.78 3.87 2.00 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 1.45 0.51 0.88 0.00 0.00 74 A 8.18 3.94 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 T 8.02 3.86 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 1.25 0.00 0.00 76 K 8.27 4.02 0.00 1.86 1.96 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 77 R 8.22 3.89 0.00 2.02 2.11 0.00 3.22 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 78 A 8.39 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.91 4.01 4.64 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 1.33 0.00 0.00 80 I 8.12 3.86 1.98 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.52 0.84 0.00 0.00 81 R 8.15 3.93 0.00 2.12 2.02 0.00 3.32 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.00 0.00 82 V 7.79 3.62 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 1.10 0.00 0.00 1.09 0.00 0.00 83 A 7.92 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.42 4.01 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 85 N 8.64 4.33 0.00 2.94 2.85 0.00 0.00 7.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.85 3.67 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.90 0.00 0.00 87 V 7.85 3.62 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.06 0.00 0.00 88 H 8.35 3.95 0.00 3.35 3.43 0.00 5.83 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 89 K 8.13 3.90 0.00 1.98 1.93 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.50 7.81 90 L 8.20 4.00 0.00 1.96 1.87 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.90 2.86 0.00 0.79 1.45 0.00 1.37 0.00 0.00 1.40 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 0.42 7.81 92 E 8.15 3.77 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 93 A 8.11 4.06 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 94 Y 7.87 4.55 0.00 3.21 3.33 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 95 L 7.87 4.15 0.00 1.64 1.66 0.93 0.87 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 96 S 8.00 4.50 0.00 3.93 3.29 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 *98 T 8.30 4.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 N 7.60 4.42 0.00 2.99 2.56 0.00 0.00 7.09 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 0.00 100 R 8.33 4.55 0.00 1.85 1.96 0.00 3.28 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 101 I 8.00 4.12 2.33 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 1.50 0.59 1.13 0.00 0.00 102 K 8.79 4.16 0.00 1.81 1.89 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.40 7.81 103 Q 7.97 4.04 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 104 K 8.62 4.21 0.00 1.81 1.75 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.53 7.81 105 I 8.66 4.13 0.73 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.46 -0.34 0.00 0.00 106 T 7.95 4.48 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 1.22 0.00 0.00 107 N 8.77 4.62 0.00 2.81 2.98 0.00 0.00 6.92 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 0.00 108 E 8.19 4.02 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 109 M 7.55 4.16 0.00 1.69 2.03 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 110 F 8.13 4.32 0.00 3.25 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.07 3.78 2.07 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 1.69 1.20 0.93 0.00 0.00 112 Q 8.06 4.13 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 113 M 7.97 4.26 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 114 T 7.86 3.92 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 1.26 0.00 0.00 115 Q 8.03 4.03 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 116 P 0.00 4.40 0.00 2.10 2.14 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 117 I 7.86 3.93 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 0.98 0.00 0.00 118 Y 8.42 4.04 0.00 3.19 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 0.00 119 D 8.57 4.41 0.00 2.94 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 0.00 120 S 7.93 4.39 0.00 4.38 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 0.00 121 L 6.95 4.56 0.00 1.51 1.65 0.96 1.05 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 0.00 122 M 8.36 4.72 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 123 N 8.54 4.09 0.00 2.91 2.83 0.00 0.00 6.51 7.68 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 0.00 124 V 7.53 4.36 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 0.91 0.00 0.00 0.95 0.00 0.00 125 D 8.91 4.96 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.50 4.74 0.00 1.84 1.85 0.00 3.23 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 127 L 9.18 4.34 0.00 1.63 1.77 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.54 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 0.00 129 I 7.47 5.05 1.76 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 1.30 0.92 0.78 0.00 0.00 130 Y 9.33 5.15 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 0.00 131 I 8.89 5.04 1.93 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 1.16 1.44 1.03 0.00 0.00 132 N 9.39 5.01 0.00 2.84 2.95 0.00 0.00 6.83 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 0.00 133 P 0.00 4.35 0.00 2.22 2.17 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 134 N 8.67 4.50 0.00 2.93 2.94 0.00 0.00 6.78 8.68 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 0.00 135 N 7.81 4.92 0.00 2.82 2.88 0.00 0.00 6.10 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 0.00 136 E 8.53 3.91 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 137 E 8.26 4.19 0.00 2.21 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 2.00 2.13 0.00 138 V 8.66 4.75 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 0.99 0.00 0.00 0.95 0.00 0.00 139 F 9.77 5.22 0.00 3.02 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 9.24 5.29 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 9.23 5.32 0.00 2.04 1.81 1.17 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 0.00 142 V 8.96 5.08 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 0.69 0.00 0.00 1.06 0.00 0.00 143 R 9.20 5.09 0.00 1.85 1.77 0.00 3.32 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 144 A 9.01 4.72 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.98 4.25 0.00 1.85 2.05 0.00 3.23 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 146 G 7.99 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 0.00 147 F 7.82 5.18 0.00 2.98 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.94 4.20 0.00 2.57 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 0.00 149 K 7.87 3.72 0.00 1.21 1.50 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.59 7.81 150 D 7.98 4.32 0.00 2.67 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 0.00 151 A 8.17 3.97 1.40 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 0.00 0.00 152 L 8.08 3.94 0.00 2.01 2.03 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.22 4.12 0.00 4.11 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 0.00 154 E 8.18 4.12 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 155 G 8.19 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.37 4.04 0.00 1.61 1.67 0.92 0.96 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 0.00 157 H 8.28 4.34 0.00 3.39 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.49 4.46 0.00 1.88 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.68 7.81 159 M 7.72 4.45 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 160 S 8.18 4.54 0.00 3.81 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 0.00 161 L 7.25 4.76 0.00 1.69 1.50 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 162 D 9.42 4.66 0.00 2.90 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 0.00 163 N 8.66 4.37 0.00 2.78 2.96 0.00 0.00 6.44 7.80 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 0.00 164 Q 8.13 3.96 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 165 A 8.84 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 7.83 3.46 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 0.80 0.00 0.00 0.82 0.00 0.00 167 S 8.19 4.10 0.00 4.01 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 0.00 168 I 7.97 3.80 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.97 0.00 0.00 169 L 8.26 4.01 0.00 1.85 1.74 0.87 0.98 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 0.00 170 V 8.12 3.68 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.00 0.00 0.00 171 A 8.08 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 8.37 4.10 0.00 2.06 2.00 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 173 V 7.91 3.49 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 0.16 0.00 0.00 0.89 0.00 0.00 174 E 8.49 4.32 0.00 2.36 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 0.00 2.43 2.54 0.00 175 E 8.46 4.03 0.00 2.26 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 2.37 2.54 0.00 176 I 7.83 3.69 1.95 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 1.49 0.56 0.64 0.00 0.00 177 F 8.31 4.19 0.00 3.35 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 0.00 178 K 8.54 4.03 0.00 1.94 1.90 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.77 1.70 7.81 179 D 8.57 4.47 0.00 2.73 2.74 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 0.00 180 S 7.62 3.17 0.00 3.40 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 0.00 181 V 7.14 3.53 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 182 N 7.77 4.48 0.00 2.85 2.95 0.00 0.00 6.82 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 0.00 183 Y 6.90 4.58 0.00 2.90 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 0.00 184 G 8.09 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 D 8.70 4.81 0.00 2.61 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 0.00 186 V 7.54 3.46 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.66 0.00 0.00 187 K 7.77 3.02 0.00 1.28 0.74 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.31 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.15 1.31 7.81 188 V 7.28 2.92 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 0.82 0.00 0.00 0.81 0.00 0.00 189 P 0.00 4.31 0.00 2.14 2.11 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 190 I 8.19 3.96 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 1.27 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.