NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3322 8.3027 120.2349 56.3753 30.4649 173.9926 2 V 4.2230 7.5793 119.5678 61.1324 32.8392 174.0136 3 Q 4.8381 10.0979 125.4771 55.3689 32.6899 172.4753 4 L 5.3366 8.5715 119.7028 53.0381 45.7011 175.5576 5 V 4.6402 8.8709 123.4212 61.0542 34.0717 174.2193 6 E 5.2847 8.9588 126.5106 55.9277 31.4518 175.3365 7 S 4.6313 9.5283 115.6202 57.6591 66.8420 174.5757 8 G 4.0600 9.2678 107.0353 45.3065 0.0000 174.7297 9 G 3.8350 7.3348 107.8226 45.0228 0.0000 173.7472 10 G 3.9035 7.6689 107.0862 45.1121 0.0000 171.2039 11 L 4.7683 8.6043 121.8550 54.7922 42.9552 177.1695 12 V 4.5178 9.2268 125.7903 60.7042 35.1394 174.7612 13 K 4.5737 8.7003 126.6847 55.6908 33.2508 174.7808 14 P 4.4276 0.0000 0.0000 64.5544 31.6839 177.0037 15 G 3.9003 9.2462 111.5957 45.0329 0.0000 173.6847 16 G 3.9654 8.0587 107.6576 46.0096 0.0000 172.6433 17 S 5.3719 8.1964 114.4423 56.9021 66.8228 173.3071 18 L 4.4743 8.4082 121.7358 54.0751 45.8912 173.5625 19 R 4.8567 8.4162 124.9698 54.5518 32.1419 174.6675 20 L 4.9475 8.8273 126.8735 53.4197 44.3190 175.6118 21 T 5.3082 8.8706 111.4597 60.1289 72.4890 171.8241 22 C 5.4215 9.4329 123.5141 54.9255 47.3331 172.4751 23 V 4.6883 8.8822 126.4652 61.1677 33.0971 174.2295 24 A 5.2782 8.4077 130.3482 50.8478 20.8578 176.1586 25 S 4.3386 9.0106 113.8668 58.1756 66.6274 175.4196 26 G 4.2038 10.7754 109.4037 46.5540 0.0000 172.9487 27 F 4.9578 7.0281 112.2777 55.3293 40.7395 174.9146 28 T 4.0998 8.5788 118.5716 63.6011 67.1880 175.0199 29 F 4.1310 8.6096 130.0766 60.9006 39.7152 177.5737 30 S 4.4135 8.2084 113.6285 60.8639 62.8746 174.7060 31 D 4.5972 7.8670 119.5175 55.6209 40.9506 176.2734 32 V 4.6849 7.2515 111.2450 59.1325 34.9324 175.4319 33 W 4.8604 8.6588 121.9334 56.2180 30.9998 175.4140 34 L 5.2267 8.6283 121.5836 53.1101 45.4857 175.3354 35 N 5.5259 9.2281 118.6513 51.3670 42.6898 173.2890 36 W 5.1785 8.8833 121.6983 55.3449 31.7719 175.7463 37 V 5.1754 9.3134 116.8113 59.8844 36.1451 174.4296 38 R 4.9617 8.9150 117.0119 55.0949 33.2131 174.0439 39 Q 4.7479 9.1503 121.6620 54.3518 32.2830 174.5334 40 A 4.4517 8.6677 129.3987 50.9935 19.3631 174.6384 41 P 4.4752 0.0000 0.0000 63.9916 31.8270 176.7000 42 G 3.9729 8.9359 109.1106 46.0057 0.0000 172.4071 43 K 4.6070 7.8810 119.2053 53.7282 35.1814 175.6613 44 G 3.9692 8.2820 110.3398 44.2478 0.0000 173.2505 45 L 4.4206 8.2489 121.7603 55.1589 43.0656 175.7985 46 E 4.8181 9.0319 125.0649 54.2092 33.1866 174.0418 47 W 4.6330 9.1472 135.0000 57.7046 31.3688 175.1353 48 V 3.9362 8.2557 127.3188 63.5164 32.7654 175.4820 49 G 3.1024 6.1947 104.5055 45.3700 0.0000 171.3474 50 R 5.3813 8.2581 115.4419 54.3597 33.6756 174.1567 51 I 4.8453 8.4917 119.3330 59.2569 41.4512 175.4082 52 K 3.4350 8.1292 129.0870 55.1538 33.6213 176.3737 52A S 4.4072 7.7830 114.8809 57.6427 64.6477 175.2639 52B R 3.8730 8.8657 121.8059 59.9159 29.8509 178.8175 52C T 3.8766 7.9328 106.0793 64.6050 68.8280 174.1796 53 D 4.7166 7.8153 120.4308 54.1870 39.9251 177.4257 54 G 3.8037 8.1726 111.0714 44.2132 0.0000 175.8994 55 G 3.7224 7.6890 106.5713 46.1726 0.0000 173.7458 56 T 4.4151 6.9349 111.4995 61.0595 70.6939 173.3805 57 T 4.9482 8.2010 111.0762 59.9345 71.7230 173.0570 58 D 4.9721 8.4442 121.6608 52.8125 45.1224 174.3213 59 Y 5.0979 8.5060 117.9214 55.6609 41.6996 175.3897 60 A 4.4892 8.8252 124.7832 52.1513 19.2029 178.8612 61 A 4.0466 8.9347 123.4899 54.6529 18.6817 179.0265 62 S 4.3880 7.9669 108.7711 59.5915 63.8691 175.0375 63 V 3.8431 7.6380 112.6019 60.1010 33.2795 175.4697 64 K 3.8713 7.8271 121.6213 57.7269 32.3990 176.2223 65 G 3.9949 8.7649 114.2378 44.9219 0.0000 173.9441 66 R 4.5024 7.8390 117.5670 56.6136 32.6762 176.3046 67 F 5.4459 7.9691 115.4776 56.0135 41.8004 175.6286 68 T 4.7248 8.8750 118.0583 61.9578 72.4333 172.8678 69 I 5.2819 9.4771 127.2671 59.7857 39.6428 175.1774 70 S 5.0075 9.0463 119.1845 57.0041 66.7805 172.9071 71 R 5.1993 8.7203 116.4481 54.6244 32.8038 174.6325 72 D 4.8179 9.4188 121.4147 52.5377 42.5013 175.9861 73 D 4.6613 8.9845 126.8325 57.3431 41.1395 179.5451 74 S 4.2211 8.2420 111.7780 60.3233 63.0042 174.8353 75 K 4.3637 7.7661 118.4389 55.1148 32.7699 175.4263 76 N 3.1400 7.5170 115.5165 54.4231 36.7388 173.7193 77 T 4.7093 6.7623 111.8077 61.4211 72.8281 173.4133 78 L 5.2151 8.6590 127.0687 53.5547 45.3909 174.6941 79 Y 5.5476 9.6738 122.1615 56.2910 42.6037 174.6087 80 L 4.6694 8.9192 123.1265 53.4945 45.1976 175.0574 81 Q 4.4372 8.8054 129.5107 55.2614 30.3795 174.2253 82 M 4.0069 8.6672 127.8498 53.5640 33.7714 175.1404 82A N 5.1139 8.7108 121.0347 50.3215 41.8236 174.5991 82B S 3.7007 8.5197 113.4143 59.3848 60.7105 173.4109 82C L 4.3465 8.2276 119.8739 55.1290 42.4604 177.4125 83 K 4.8982 9.6207 122.2308 54.3361 35.0901 177.4398 84 T 4.3432 8.7830 110.6929 64.2959 68.4523 175.7170 85 E 4.2269 8.0684 117.2038 57.6858 29.7803 176.7950 86 D 4.7771 8.2471 119.3333 55.3413 41.2477 176.5319 87 T 4.4281 7.8709 117.3140 63.5584 68.9611 173.7548 88 A 4.4250 8.5403 126.7937 51.5643 23.8512 175.1452 89 V 4.4162 8.2051 120.1349 62.8519 32.8642 174.3904 90 Y 5.1659 9.2606 126.4287 56.8471 39.8430 175.0356 91 S 5.6094 9.7320 120.5595 56.8777 66.9131 170.6577 92 C 4.7633 9.4715 118.0726 54.1853 39.7836 172.7050 93 T 5.0832 8.4924 111.1543 60.2862 72.2179 173.0003 94 T 4.6905 8.3649 113.2822 60.7205 71.4783 173.3497 95 D 4.8550 8.7387 123.7422 53.8024 41.7368 176.5683 96 G 4.0787 8.7998 112.5680 44.6897 0.0000 171.4890 97 F 5.6994 8.2255 112.8660 55.6013 41.0547 173.7330 98 I 4.2918 8.8858 121.2819 59.7928 39.4676 174.1246 99 M 4.8467 8.5616 126.9042 53.9003 33.9600 174.7477 100 I 4.3684 8.5851 127.1621 59.5429 39.7602 175.1937 100A R 4.7644 8.1397 127.0199 54.8894 30.0453 176.9653 100B G 3.9882 8.8519 114.3928 44.3162 0.0000 173.7135 100C V 3.8713 8.2165 118.4084 63.5099 31.3991 176.7476 100D S 4.6342 7.9398 111.4329 58.6097 65.8416 173.4561 100E E 4.7520 7.8430 115.7352 55.1021 31.9048 173.1111 100F D 5.3746 8.5768 121.0210 53.3349 43.1841 174.7489 100G Y 4.6251 9.0527 121.0461 56.5056 40.6320 174.3271 100H Y 4.8164 8.4890 120.4156 56.5073 40.6834 174.5850 100I Y 4.5596 9.1756 123.6576 56.7623 39.5898 175.0555 100J Y 5.4137 8.6838 122.3327 57.4069 40.1985 174.5554 100K Y 4.8667 8.4410 116.9370 56.3082 41.8693 173.4267 100L M 3.9648 8.9731 121.3379 56.2327 31.8685 174.3973 101 D 4.4159 8.7799 124.4728 54.8130 42.2013 175.7243 102 V 4.2476 7.7876 115.8988 61.6875 33.2510 174.4500 103 W 5.0951 8.9961 127.4368 54.7956 31.6027 175.8905 104 G 4.0851 8.8760 112.1079 45.5590 0.0000 174.0295 105 K 4.2428 8.8098 118.8471 57.3713 32.5305 178.8886 106 G 4.2332 9.3580 103.7436 45.5790 0.0000 172.3839 107 T 4.7723 8.6504 113.6514 60.3654 71.0661 172.7783 108 T 4.8775 8.6508 124.9369 62.9723 70.4036 173.5080 109 V 4.5398 9.1331 127.0179 61.4579 34.1331 174.3189 110 T 4.5223 8.9649 125.3728 62.0506 70.6890 173.9730 111 V 5.0470 8.3810 128.5181 61.3635 31.7213 174.4835 112 S 4.8548 8.1488 120.8088 56.9086 65.1813 173.9650 113 S 4.3052 8.6775 117.9541 58.7175 63.5780 174.4795 114 A 3.9121 7.3660 124.8330 52.5060 18.4638 176.5011 115 S 4.6975 7.8139 113.3367 56.7887 66.0208 173.9220 116 T 4.4879 8.5799 116.8700 63.8118 68.7335 173.9425 117 K 4.6443 9.7346 127.5298 55.0143 35.9366 175.6878 118 G 4.3812 8.8590 114.7000 45.0093 0.0000 171.4279 119 P 5.1589 0.0000 0.0000 61.9169 32.5050 175.6622 120 S 4.5919 8.5737 116.3301 57.1336 63.4907 173.2015 121 V 4.9588 7.7528 125.6344 60.1499 34.2444 173.9817 122 F 5.3470 8.8777 125.1134 53.7531 42.8022 172.6894 123 P 4.6928 0.0000 0.0000 62.8618 32.9333 174.9415 124 L 5.1177 8.9164 121.4301 52.3810 43.3201 175.5973 125 A 5.1367 8.6524 124.8044 47.7077 23.2949 173.4262 126 P 4.2257 0.0000 0.0000 63.1730 32.0595 177.1785 127 C 4.0064 8.7161 120.7840 62.5742 31.9241 173.6135 128 S 4.2220 7.8459 114.0660 56.7680 62.5471 172.5666 129 R 3.8918 8.6156 127.1928 57.4274 30.0768 176.7050 130 S 4.3485 8.3746 122.1823 56.8912 60.9211 172.5835 116 T 4.4879 8.5799 116.8700 63.8118 68.7335 173.9425 117 S 4.7943 9.7546 122.8298 57.1143 66.6366 173.6878 118 G 4.3812 8.8590 114.7000 45.0093 0.0000 171.4279 119 G 4.6989 8.4180 107.8598 43.7169 0.0000 173.2621 120 T 4.4719 8.4137 114.2301 60.6336 69.4907 173.3015 121 A 5.1588 7.9628 130.2345 50.4499 20.4444 175.4817 122 A 5.0470 8.8177 128.6134 48.5531 22.3022 174.6894 123 L 4.6128 8.4688 121.8004 54.6618 43.2333 175.2415 124 G 4.7377 9.0864 108.4301 42.3810 0.0000 172.8973 125 C 5.3667 8.7324 119.6044 53.4077 32.1949 170.2262 126 L 4.1457 8.5545 119.6478 54.9730 42.3595 177.4785 127 V 3.5764 8.4261 121.3840 66.5742 36.8241 175.3135 128 K 4.0720 7.8259 118.7661 54.6680 31.8471 174.5666 129 D 4.1918 8.7256 127.0928 55.6274 40.2768 176.7050 130 Y 4.4285 8.1846 126.7823 56.4912 34.9211 173.8835 148 F 5.0941 8.6868 120.7450 56.9032 42.5390 172.4077 149 P 3.9575 0.0000 0.0000 61.6732 33.7809 175.2855 150 E 4.3367 8.2846 118.9812 55.8445 30.1875 174.2003 151 P 4.7171 0.0000 0.0000 61.6430 33.2810 174.7028 152 V 4.4489 7.8261 117.9007 61.3375 34.1774 174.4960 153 T 4.6455 8.4960 122.3475 61.6704 71.6160 173.2802 154 V 4.9324 8.3803 125.1639 59.9954 34.8651 174.6360 *156 S 5.1874 8.4120 121.0126 58.3519 65.3650 172.0504 157 W 5.1850 8.2410 118.2131 53.3299 32.5797 176.4889 *162 N 4.6881 8.4016 121.7949 53.6471 39.3712 174.8912 163 S 3.7870 9.8993 108.8643 59.7513 61.0151 173.9004 164 G 3.9873 8.2551 107.9163 45.4610 0.0000 175.5098 165 A 4.0656 8.0218 122.3520 53.9556 18.6100 177.5241 166 L 4.7817 7.8572 117.3953 53.8700 43.5826 175.7247 167 T 4.6115 8.3284 118.7831 64.3227 73.1075 174.3253 168 S 4.0726 8.0731 116.4018 59.2989 62.7864 173.9516 169 G 3.7003 8.7327 115.5748 45.7482 0.0000 172.0763 *171 V 4.2364 7.4138 118.3991 62.8746 32.7470 174.1627 172 H 4.7909 9.6769 127.3139 54.9143 32.6876 171.7983 173 T 5.0970 8.6761 123.1304 62.5599 69.4754 174.7642 174 F 4.4950 9.1873 125.8117 55.4301 40.3915 174.3884 175 P 4.3625 0.0000 0.0000 63.0070 31.8150 176.1933 176 A 4.7226 8.5323 122.8865 52.0542 19.4881 177.0664 177 V 4.4050 9.2788 120.4660 60.0481 34.1739 174.6236 178 L 4.3477 8.4117 125.5203 54.0559 42.8926 176.0848 179 Q 4.4371 8.5255 125.7096 54.8079 30.0280 177.4379 180 S 4.0146 8.5765 116.2923 61.2808 63.0290 176.6221 *182 S 4.4038 7.4243 112.7185 57.1887 64.3910 174.7603 183 G 3.7845 8.0806 108.7807 44.6220 0.0000 173.2258 184 L 4.6905 7.3405 119.8619 53.7789 43.6501 175.5752 185 Y 4.8689 8.0669 119.1746 57.0444 39.8488 175.1859 186 S 5.5811 9.1999 117.3921 57.0136 67.4609 173.1281 187 L 5.3267 8.8802 122.0092 54.3504 43.9789 175.4245 188 S 5.5057 8.7466 114.5237 56.9084 66.5827 172.9924 189 S 5.3647 8.8972 116.8014 56.8096 64.7669 173.4017 190 V 5.0850 9.3679 119.9508 59.5925 35.4045 174.6408 191 V 4.5186 7.8104 121.7274 61.3696 33.9463 174.5944 192 T 5.1582 8.3083 124.3832 62.3597 69.8419 174.5171 193 V 4.5608 7.9332 117.5234 58.6530 36.4266 173.5745 194 P 4.4781 0.0000 0.0000 62.6911 32.2338 178.0025 195 S 4.1125 8.7592 119.4514 61.6995 63.0014 176.7423 196 S 4.1594 8.1698 113.4833 61.1271 62.6864 175.0825 197 S 4.5137 7.9354 113.8702 58.3291 63.3745 175.7471 198 L 4.0037 7.8750 122.2222 58.0168 41.3811 178.2795 199 G 4.0115 7.9285 103.8737 45.5408 0.0000 174.2248 200 T 3.7318 8.0135 117.0006 64.5648 67.6252 173.6538 *203 Q 4.3946 7.9424 117.5335 56.0239 29.6845 173.5672 *205 T 4.4860 7.8885 105.9276 61.9054 69.8419 172.4961 206 Y 5.0316 8.2012 118.7309 56.7170 41.2920 174.6703 207 T 5.2002 9.6545 120.7477 61.9482 72.8047 170.5458 208 C 3.8055 8.7030 121.7766 53.9899 40.8646 172.5427 209 N 4.9484 8.7338 120.5039 51.7741 40.1498 173.4547 210 V 4.3477 8.8867 125.3916 61.0378 33.8539 173.9526 211 N 5.0853 9.1927 126.8668 52.2398 41.7003 172.4500 212 H 5.0244 9.4319 127.7759 53.9785 30.1071 174.4854 213 K 3.8745 8.4183 124.0318 58.6244 32.3428 177.7777 214 P 4.1583 0.0000 0.0000 64.8167 31.2381 177.1122 215 S 4.5846 7.7601 109.4016 56.9856 63.7481 173.4658 216 N 4.1154 7.7164 117.2831 55.3772 36.5333 174.2568 217 T 4.7255 7.9242 113.5919 61.6952 71.8525 175.2692 218 K 5.0882 8.6181 124.2531 54.6044 36.0097 175.7892 219 V 4.3696 8.7323 122.6924 61.3601 34.9351 173.4989 220 D 5.3055 8.7407 127.2992 52.4056 43.1890 175.6367 221 K 4.4570 8.5685 124.0901 54.4903 35.4062 175.1528 222 R 4.5961 8.7960 128.5241 56.3139 31.3607 175.4475 223 V 4.2563 9.2883 126.6717 61.3430 33.3480 174.5235 *226 E 4.8501 8.5512 126.2710 56.4647 30.6610 175.9307 227 L 4.3696 8.5702 121.9954 54.9082 42.1646 176.2719 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 4.33 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 2 V 7.58 4.22 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 0.77 0.00 0.00 1.10 0.00 0.00 3 Q 10.10 4.84 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 4 L 8.57 5.34 0.00 1.64 1.59 0.98 0.94 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 5 V 8.87 4.64 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 1.12 0.00 0.00 0.97 0.00 0.00 6 E 8.96 5.28 0.00 2.31 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 2.39 2.72 0.00 7 S 9.53 4.63 0.00 3.89 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 8 G 9.27 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 9 G 7.33 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.67 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.60 4.77 0.00 1.79 1.67 1.08 1.01 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 12 V 9.23 4.52 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 0.89 0.00 0.00 0.89 0.00 0.00 13 K 8.70 4.57 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.41 7.81 14 P 0.00 4.43 0.00 2.02 1.99 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 15 G 9.25 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.06 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.20 5.37 0.00 3.69 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 18 L 8.41 4.47 0.00 1.58 1.21 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.42 4.86 0.00 1.82 1.69 0.00 3.17 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 20 L 8.83 4.95 0.00 0.91 1.41 0.31 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.87 5.31 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 1.46 0.00 0.00 22 C 9.43 5.42 0.00 2.79 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 23 V 8.88 4.69 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 0.86 0.00 0.00 0.85 0.00 0.00 24 A 8.41 5.28 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 25 S 9.01 4.34 0.00 3.84 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 26 G 10.78 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 0.00 0.00 0.00 27 F 7.03 4.96 0.00 3.16 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 28 T 8.58 4.10 4.46 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 1.33 0.00 0.00 29 F 8.61 4.13 0.00 2.65 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 30 S 8.21 4.41 0.00 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.87 4.60 0.00 2.98 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 32 V 7.25 4.68 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 0.79 0.00 0.00 1.02 0.00 0.00 33 W 8.66 4.86 0.00 3.17 3.03 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 34 L 8.63 5.23 0.00 1.47 1.34 0.41 0.66 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 35 N 9.23 5.53 0.00 2.50 2.81 0.00 0.00 6.97 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 36 W 8.88 5.18 0.00 3.23 3.17 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 37 V 9.31 5.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 38 R 8.91 4.96 0.00 0.81 1.04 0.00 2.35 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 39 Q 9.15 4.75 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 40 A 8.67 4.45 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 4.48 0.00 2.10 2.07 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 42 G 8.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.88 4.61 0.00 1.72 1.70 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.36 7.81 44 G 8.28 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.25 4.42 0.00 1.79 1.74 1.21 1.27 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 46 E 9.03 4.82 0.00 2.10 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 2.29 2.33 0.00 47 W 9.15 4.63 0.00 3.33 3.15 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 48 V 8.26 3.94 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 1.21 0.00 0.00 1.06 0.00 0.00 49 G 6.19 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 0.00 0.00 0.00 50 R 8.26 5.38 0.00 2.17 2.62 0.00 2.70 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 51 I 8.49 4.85 1.84 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 1.11 1.56 0.89 0.00 0.00 52 K 8.13 3.43 0.00 1.05 0.74 0.00 1.24 0.00 0.00 0.89 0.00 0.00 2.32 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.65 7.81 52A S 7.78 4.41 0.00 4.13 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 52B R 8.87 3.87 0.00 1.87 2.01 0.00 3.20 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 52C T 7.93 3.88 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 1.23 0.00 0.00 53 D 7.82 4.72 0.00 2.78 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 54 G 8.17 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 0.00 0.00 0.00 55 G 7.69 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 56 T 6.93 4.42 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 1.16 0.00 0.00 57 T 8.20 4.95 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 1.22 0.00 0.00 58 D 8.44 4.97 0.00 2.84 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 59 Y 8.51 5.10 0.00 2.87 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 60 A 8.83 4.49 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 61 A 8.93 4.05 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 62 S 7.97 4.39 0.00 3.94 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 63 V 7.64 3.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.96 0.00 0.00 64 K 7.83 3.87 0.00 1.92 1.71 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.41 7.81 65 G 8.76 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.84 4.50 0.00 1.81 2.30 0.00 3.09 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 67 F 7.97 5.45 0.00 2.62 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 68 T 8.87 4.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 69 I 9.48 5.28 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 1.11 0.00 0.00 70 S 9.05 5.01 0.00 3.99 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 71 R 8.72 5.20 0.00 2.11 2.07 0.00 2.94 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 72 D 9.42 4.82 0.00 2.94 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 73 D 8.98 4.66 0.00 2.84 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 74 S 8.24 4.22 0.00 3.97 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 75 K 7.77 4.36 0.00 1.67 1.73 0.00 1.88 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.34 7.81 76 N 7.52 3.14 0.00 2.55 2.41 0.00 0.00 6.77 6.90 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 77 T 6.76 4.71 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 0.52 0.00 0.00 78 L 8.66 5.22 0.00 1.91 1.47 1.10 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.67 5.55 0.00 2.96 2.78 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 80 L 8.92 4.67 0.00 0.27 0.13 0.73 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.81 4.44 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 82 M 8.67 4.01 0.00 0.97 1.47 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.00 82A N 8.71 5.11 0.00 2.65 2.67 0.00 0.00 7.06 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82B S 8.52 3.70 0.00 4.00 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 82C L 8.23 4.35 0.00 1.75 1.63 0.81 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.62 4.90 0.00 1.78 1.87 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 84 T 8.78 4.34 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 1.23 0.00 0.00 85 E 8.07 4.23 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 86 D 8.25 4.78 0.00 2.96 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 87 T 7.87 4.43 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 88 A 8.54 4.42 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 89 V 8.21 4.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 90 Y 9.26 5.17 0.00 3.11 3.15 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 91 S 9.73 5.61 0.00 3.88 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 92 C 9.47 4.76 0.00 2.23 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 0.00 0.00 0.00 93 T 8.49 5.08 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 0.28 0.00 0.00 94 T 8.36 4.69 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 1.05 0.00 0.00 95 D 8.74 4.86 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.80 4.08 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 0.00 0.00 0.00 97 F 8.23 5.70 0.00 2.68 2.33 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 98 I 8.89 4.29 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.69 0.78 0.00 0.00 99 M 8.56 4.85 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 2.06 0.00 100 I 8.59 4.37 1.97 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.86 0.00 0.00 100A R 8.14 4.76 0.00 1.69 1.92 0.00 3.26 0.00 0.00 2.25 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 100B G 8.85 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100C V 8.22 3.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 100D S 7.94 4.63 0.00 3.79 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 100E E 7.84 4.75 0.00 2.08 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 2.35 2.52 0.00 100F D 8.58 5.37 0.00 2.73 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 100G Y 9.05 4.63 0.00 2.96 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 100H Y 8.49 4.82 0.00 2.65 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 100I Y 9.18 4.56 0.00 2.99 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 100J Y 8.68 5.41 0.00 2.80 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 100K Y 8.44 4.87 0.00 3.09 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 100L M 8.97 3.96 0.00 1.13 2.06 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 101 D 8.78 4.42 0.00 1.59 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 0.00 0.00 0.00 0.00 102 V 7.79 4.25 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.67 0.00 0.00 103 W 9.00 5.10 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.88 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.81 4.24 0.00 1.83 1.95 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.50 7.81 106 G 9.36 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 0.00 107 T 8.65 4.77 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 108 T 8.65 4.88 4.33 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 1.32 0.00 0.00 109 V 9.13 4.54 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 0.91 0.00 0.00 0.66 0.00 0.00 110 T 8.96 4.52 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 111 V 8.38 5.05 2.19 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 1.12 0.00 0.00 1.03 0.00 0.00 112 S 8.15 4.85 0.00 3.81 3.55 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 0.00 113 S 8.68 4.31 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 0.00 114 A 7.37 3.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.81 4.70 0.00 4.01 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 0.00 116 T 8.58 4.49 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 1.40 0.00 0.00 117 K 9.73 4.64 0.00 1.93 1.75 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 118 G 8.86 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 5.16 0.00 2.10 2.14 0.00 3.33 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.58 0.00 120 S 8.57 4.59 0.00 4.02 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 0.00 121 V 7.75 4.96 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 1.27 0.00 0.00 0.84 0.00 0.00 122 F 8.88 5.35 0.00 3.06 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 0.00 123 P 0.00 4.69 0.00 2.21 2.27 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 124 L 8.92 5.12 0.00 1.60 1.66 0.97 0.85 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 0.00 125 A 8.65 5.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.23 0.00 2.48 2.19 0.00 3.69 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 2.07 1.95 0.00 127 C 8.72 4.01 0.00 2.97 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 0.00 128 S 7.85 4.22 0.00 3.89 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 0.00 129 R 8.62 3.89 0.00 1.81 1.89 0.00 3.28 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 130 S 8.37 4.35 0.00 3.87 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 0.00 116 T 8.58 4.49 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 1.40 0.00 0.00 117 S 9.75 4.79 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 0.00 118 G 8.86 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.42 4.70 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 0.00 0.00 0.00 120 T 8.41 4.47 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 0.00 121 A 7.96 5.16 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 0.00 122 A 8.82 5.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.47 4.61 0.00 1.54 1.95 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.09 4.74 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 0.00 125 C 8.73 5.37 0.00 2.61 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 0.00 126 L 8.55 4.15 0.00 1.81 1.87 0.92 0.50 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 0.00 127 V 8.43 3.58 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 0.95 0.00 0.00 0.93 0.00 0.00 128 K 7.83 4.07 0.00 1.84 1.59 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.29 7.81 129 D 8.73 4.19 0.00 2.67 2.78 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 0.00 130 Y 8.18 4.43 0.00 3.01 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 0.00 148 F 8.69 5.09 0.00 3.06 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 0.00 149 P 0.00 3.96 0.00 1.74 1.04 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 150 E 8.28 4.34 0.00 1.71 1.77 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 1.47 1.47 0.00 151 P 0.00 4.72 0.00 2.11 2.00 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 152 V 7.83 4.45 1.67 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 0.60 0.00 0.00 -0.32 0.00 0.00 153 T 8.50 4.65 4.18 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 1.16 0.00 0.00 154 V 8.38 4.93 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 0.94 0.00 0.00 0.88 0.00 0.00 *156 S 8.41 5.19 0.00 3.99 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 0.00 157 W 8.24 5.18 0.00 3.53 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *162 N 8.40 4.69 0.00 2.98 2.91 0.00 0.00 7.16 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 9.90 3.79 0.00 3.98 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 0.00 164 G 8.26 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.02 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.86 4.78 0.00 1.76 1.78 1.04 0.93 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 0.00 167 T 8.33 4.61 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 168 S 8.07 4.07 0.00 3.84 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 0.00 169 G 8.73 3.70 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 0.00 0.00 0.00 *171 V 7.41 4.24 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 0.98 0.00 0.00 0.82 0.00 0.00 172 H 9.68 4.79 0.00 3.09 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 8.68 5.10 4.34 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 1.32 0.00 0.00 174 F 9.19 4.50 0.00 3.08 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 0.00 175 P 0.00 4.36 0.00 2.14 2.08 0.00 3.79 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 2.09 2.15 0.00 176 A 8.53 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 0.00 177 V 9.28 4.41 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 0.93 0.00 0.00 0.95 0.00 0.00 178 L 8.41 4.35 0.00 1.55 1.56 0.22 0.71 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 0.00 179 Q 8.53 4.44 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 180 S 8.58 4.01 0.00 3.84 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 *182 S 7.42 4.40 0.00 3.92 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 0.00 183 G 8.08 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 0.00 0.00 0.00 184 L 7.34 4.69 0.00 1.47 1.51 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.07 4.87 0.00 1.44 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 0.00 186 S 9.20 5.58 0.00 3.74 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 0.00 187 L 8.88 5.33 0.00 1.86 1.80 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.75 5.51 0.00 3.70 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 0.00 189 S 8.90 5.36 0.00 4.06 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 0.00 190 V 9.37 5.09 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 0.74 0.00 0.00 1.20 0.00 0.00 191 V 7.81 4.52 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 0.40 0.00 0.00 -0.84 0.00 0.00 192 T 8.31 5.16 4.18 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 1.20 0.00 0.00 193 V 7.93 4.56 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 0.33 0.00 0.00 0.76 0.00 0.00 194 P 0.00 4.48 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 195 S 8.76 4.11 0.00 4.07 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 0.00 196 S 8.17 4.16 0.00 3.98 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 0.00 197 S 7.94 4.51 0.00 4.09 4.16 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 0.00 198 L 7.87 4.00 0.00 1.82 1.83 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 199 G 7.93 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 0.00 200 T 8.01 3.73 4.33 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 1.34 0.00 0.00 *203 Q 7.94 4.39 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.36 0.00 0.00 0.00 0.00 0.00 2.20 1.80 0.00 *205 T 7.89 4.49 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 1.19 0.00 0.00 206 Y 8.20 5.03 0.00 3.11 3.16 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 0.00 207 T 9.65 5.20 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 1.23 0.00 0.00 208 C 8.70 3.81 0.00 1.86 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 8.73 4.95 0.00 2.56 2.76 0.00 0.00 6.32 7.48 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 0.00 210 V 8.89 4.35 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.76 0.00 0.00 211 N 9.19 5.09 0.00 2.74 2.55 0.00 0.00 6.26 7.61 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 0.00 212 H 9.43 5.02 0.00 3.05 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.42 3.87 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.41 7.81 214 P 0.00 4.16 0.00 1.86 2.04 0.00 3.08 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 215 S 7.76 4.58 0.00 4.03 4.08 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 0.00 216 N 7.72 4.12 0.00 2.81 2.86 0.00 0.00 6.72 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 0.00 217 T 7.92 4.73 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 1.20 0.00 0.00 218 K 8.62 5.09 0.00 1.55 1.61 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.36 7.81 219 V 8.73 4.37 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 0.87 0.00 0.00 0.86 0.00 0.00 220 D 8.74 5.31 0.00 2.52 2.49 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 0.00 221 K 8.57 4.46 0.00 1.75 1.49 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.41 7.81 222 R 8.80 4.60 0.00 1.90 1.86 0.00 3.30 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 223 V 9.29 4.26 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 1.09 0.00 0.00 1.33 0.00 0.00 *226 E 8.55 4.85 0.00 2.08 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 2.29 0.00 227 L 8.57 4.37 0.00 1.63 1.55 0.88 0.88 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 * Residues marked with a * may have inaccurate shift predictions.