NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5026 8.3049 120.3418 54.5738 33.4525 174.7222 2 K 4.0131 8.5937 120.0919 56.7139 32.3389 176.5070 3 M 4.4427 8.8788 123.5688 56.0865 33.3367 177.6741 4 K 3.8282 8.1966 120.4022 60.0383 32.2684 177.9210 5 E 4.0434 8.3592 117.8316 59.3852 29.3256 179.1932 6 F 4.2918 8.3923 120.1031 61.4183 39.6058 177.0199 7 L 3.7507 8.5323 119.0333 57.8256 41.3939 179.3496 8 D 4.2911 8.2157 118.7416 57.3660 40.8085 178.8038 9 L 3.9485 7.6514 118.9758 57.6149 41.3617 179.3855 10 L 3.7306 7.4556 119.4362 58.2200 42.0861 178.5798 11 N 4.4479 8.1237 115.2220 55.6490 38.5592 176.6475 12 E 4.2408 7.9402 118.7617 56.7300 30.2172 176.9328 13 S 4.2195 7.3880 114.5558 58.0413 62.9526 174.2043 14 R 4.0714 8.5513 124.1383 58.2590 30.0591 176.3232 15 L 4.6081 8.0639 120.5100 53.6960 45.4043 175.1697 16 T 5.1412 8.6090 122.7356 61.8722 71.9061 173.6329 17 V 5.0272 8.6624 118.4133 59.6830 35.6797 174.6179 18 T 5.1214 8.4345 111.4231 59.8403 72.3756 172.4058 19 L 5.2963 8.9221 125.9570 53.5625 44.7578 175.1239 20 T 5.0983 9.0699 116.8582 60.1495 72.1947 173.9694 21 G 4.5857 8.4436 111.1553 43.7476 0.0000 172.6212 22 A 4.0107 8.8302 120.5453 55.4374 18.2776 180.3105 23 G 3.7089 8.4108 101.8740 47.2076 0.0000 174.9356 24 I 4.0096 7.5864 119.3163 62.3075 38.5104 176.5668 25 S 4.7383 7.8478 114.5071 59.0489 63.9889 176.0389 26 T 4.7086 7.7309 114.0905 63.8749 68.2325 174.3998 27 P 4.3633 0.0000 0.0000 64.6076 31.4677 177.5519 28 S 4.6056 7.7931 112.4595 58.3125 62.9889 174.7449 29 G 3.8411 8.1334 110.3440 45.2210 0.0000 173.7177 30 I 4.2369 7.4366 121.2353 58.3756 37.3337 173.5515 31 P 4.4713 0.0000 0.0000 62.4200 31.8286 175.3121 32 D 4.5211 8.1569 119.6004 53.1680 42.0559 176.3639 33 F 4.5375 8.5013 125.0111 56.8174 40.3707 174.4268 *43 Y 4.5554 7.9050 118.5814 57.6184 38.8599 175.5743 44 S 4.1706 8.3029 116.9608 58.3166 62.9885 175.0908 45 Q 4.0801 8.4063 123.3370 57.9933 28.9503 176.2013 46 N 4.7214 7.5470 116.3737 52.9501 38.5791 177.2085 47 V 3.0973 6.7956 120.6107 63.9391 31.3343 176.9631 48 F 5.0341 8.0765 117.7883 57.4372 39.4115 174.2252 49 D 5.4159 8.3714 122.7220 53.1696 42.8501 177.2583 50 I 3.2113 8.6050 124.3483 64.1566 38.1493 178.0824 51 D 4.5109 8.1613 119.5412 56.2528 39.3027 178.2837 52 F 4.0697 8.1891 121.7922 60.8938 39.3193 176.6396 53 F 3.7370 7.8892 119.1074 61.6182 39.1403 176.5407 54 Y 4.0845 7.3264 114.5955 60.9116 37.6254 178.3930 55 S 4.1734 7.5463 115.0561 60.3741 64.7462 174.5123 56 H 4.9628 7.9809 117.3479 52.7647 29.0384 172.4453 57 P 3.8970 0.0000 0.0000 65.6408 31.6130 178.4620 58 E 4.3080 8.1005 117.0250 59.3927 29.6016 178.8381 59 E 4.1629 8.0994 119.3224 58.9060 29.4727 178.9885 60 F 4.1897 8.0908 120.4452 61.6478 39.3493 176.7484 61 Y 4.1141 8.3299 116.0979 60.5453 37.3803 178.3014 62 R 4.0424 7.7016 119.2419 59.2812 30.4992 177.9421 63 F 3.1381 7.9936 120.2604 60.7255 39.2796 176.8295 64 A 2.9897 7.4744 120.7322 54.7811 17.6815 179.7266 65 K 4.3616 7.2161 115.1944 58.7031 32.1046 178.0182 66 E 4.5951 7.5992 117.3766 55.9166 31.4143 176.7760 67 G 3.8067 7.2714 102.7470 44.1541 0.0000 172.6865 68 I 4.3728 6.6716 119.2257 62.3123 39.8216 177.6427 69 F 4.5900 8.0343 119.1429 60.3692 38.8208 176.0759 70 P 4.3997 0.0000 0.0000 65.3262 31.1575 177.8126 71 M 4.3688 8.0319 114.5085 56.9305 31.0479 178.1853 72 L 4.1288 7.9962 120.0533 57.3554 41.8687 178.1478 73 Q 4.2870 7.7683 115.3422 55.2595 29.4448 176.0298 74 A 4.1634 7.4290 123.8261 52.0438 19.0742 177.0096 75 K 4.6713 8.1750 120.3285 53.4663 34.7635 174.8148 76 P 4.2671 0.0000 0.0000 62.7838 32.0916 176.0220 77 N 4.9895 8.5326 118.1552 51.1300 41.1500 174.9222 78 L 3.9240 8.4697 119.9279 58.5025 41.9139 178.9719 79 A 3.9729 8.3483 120.6889 55.3884 18.3256 179.2953 80 H 4.1687 8.2587 114.2864 59.0813 28.7637 178.0645 81 V 3.6284 8.0184 120.0618 65.7549 31.2419 177.6474 82 L 3.9384 8.1771 120.3130 58.3604 41.9203 179.0471 83 L 4.0049 7.9760 118.3412 57.6913 41.4995 179.4218 84 A 4.0280 7.8355 120.4187 55.1742 18.4700 179.9032 85 K 3.9941 8.3958 117.2970 59.5075 32.0367 179.6841 86 L 4.0397 8.3184 119.7678 57.5873 41.4444 179.0656 87 E 4.1784 8.2321 120.7447 58.7340 29.3587 178.3819 88 E 3.9294 7.9686 118.3026 59.1194 29.7794 178.1600 89 K 4.3461 7.7334 115.0588 55.9904 32.3068 177.4966 90 G 3.8864 7.9093 107.4565 46.3510 0.0000 174.6165 91 L 4.4371 8.2111 118.4945 54.5041 42.0474 176.8336 92 I 4.5933 7.2474 119.9245 59.5102 40.6127 175.3407 93 E 4.2045 9.3907 127.1681 58.8580 30.3531 176.0959 94 A 4.6583 7.6071 117.9427 51.0796 23.0996 175.1023 95 V 4.5301 8.3162 119.3555 60.3825 33.9764 174.4291 96 I 4.7791 8.8961 129.4754 59.9216 39.2355 174.7162 97 T 5.0613 8.9020 121.6299 60.5464 70.4797 174.1320 98 Q 4.2106 8.8743 124.8944 56.4934 29.5723 176.0560 99 N 4.6568 8.1879 117.3557 52.7278 39.5778 175.0169 100 I 4.5713 8.3239 112.8579 59.9498 38.2445 176.6289 101 D 4.4264 8.0028 120.0691 54.1958 39.8402 176.8235 102 R 4.3369 8.0592 117.1495 56.5705 28.0783 177.8744 103 L 3.9805 8.4229 121.2151 57.8357 41.4116 179.1577 104 H 4.2399 8.0151 116.0819 59.0156 28.6103 177.6518 105 Q 4.0595 8.0429 119.3798 58.9783 28.4186 178.7475 106 R 4.0114 7.8914 117.8319 58.4885 30.1649 178.0798 107 A 4.3122 7.6073 118.8686 52.4760 18.8608 178.0063 108 G 4.0221 7.7824 105.2786 44.8937 0.0000 174.3975 109 S 4.4231 7.7364 116.2663 58.5798 63.3140 174.5150 110 K 4.1070 9.6033 124.4688 57.3590 32.7699 176.3905 111 K 4.4451 8.3736 120.7810 54.5555 33.6574 175.0238 112 V 4.8559 8.2199 126.7103 61.0155 34.3767 174.4105 113 I 4.2566 9.0277 129.3263 59.9129 38.8651 174.9583 114 E 4.5322 8.6199 128.3002 54.7531 29.1422 177.1901 115 L 4.0243 8.5405 126.0807 57.1203 42.0949 178.4360 116 H 4.7742 8.1418 114.0077 55.1652 29.4511 175.1627 117 G 3.5501 9.0692 108.0385 44.9215 0.0000 172.5728 118 N 5.0534 8.0962 115.6498 51.6806 40.2145 174.8653 119 V 3.9894 8.3805 117.9922 62.7771 32.2614 176.5537 120 E 4.6142 8.6283 120.3571 57.1773 31.3003 175.4469 121 E 5.1472 8.3580 119.2287 54.9505 32.1017 174.7228 122 Y 5.3060 9.0766 120.3077 56.9375 43.0215 173.6593 123 Y 5.5544 8.5849 117.4017 56.2062 42.0498 173.2573 124 C 4.8435 9.3665 122.4979 59.5139 32.1373 175.2142 125 V 3.9372 8.9219 120.3535 64.2806 31.4324 177.6250 126 R 4.1933 8.0806 119.3981 58.4014 29.5767 176.6129 127 C 4.4461 8.0151 110.2353 57.4112 30.5130 174.0404 128 E 4.2331 8.4194 118.7220 57.1373 27.3136 174.1621 129 K 4.0999 7.5115 121.4287 56.7826 33.1877 176.1533 130 K 4.9134 8.5040 126.4229 56.5384 33.2359 175.8155 131 Y 4.9678 9.2509 120.7041 56.6857 42.9075 174.6670 132 T 5.0992 9.0298 112.4075 60.3461 71.3177 176.2251 133 V 3.5934 8.5658 122.4725 65.0535 31.2494 178.2985 134 E 3.9238 8.1123 118.3114 58.5382 29.4433 178.7164 135 D 4.2946 7.8599 119.4762 57.3531 40.8840 178.8396 136 V 3.2911 7.4945 118.7128 65.8299 31.1781 178.0221 137 I 3.2387 7.1658 118.6120 64.0655 37.1266 178.0179 138 K 3.9996 7.8572 120.3895 59.4289 32.0765 179.0680 139 K 3.9333 7.9620 118.7564 59.2495 31.7377 178.6512 140 L 4.8735 7.5674 117.6166 55.5243 41.5371 178.1933 141 E 4.3087 7.8700 119.0382 57.3006 29.7752 176.9144 142 S 4.6635 7.6490 110.6951 57.5263 64.3704 173.4059 143 S 4.5612 7.4120 114.1907 57.7660 64.8215 174.1692 144 D 4.6927 8.5164 123.1305 55.1253 41.2341 177.0107 145 V 4.3195 7.3118 119.2251 60.1739 34.7880 172.3262 146 P 4.3287 0.0000 0.0000 62.5537 32.3099 174.9568 147 L 5.2200 8.1227 123.9840 52.3501 44.7767 175.9389 148 C 4.2579 9.0682 123.4450 60.0171 32.1602 174.3619 149 D 4.6284 9.5083 125.4332 56.2377 41.0910 177.3342 150 D 4.6736 8.3268 118.3717 55.9453 41.4562 177.0100 151 C 4.6443 7.8106 110.2595 57.0199 30.4518 173.8582 152 N 5.0297 8.2082 115.9563 54.2186 37.2220 173.6812 153 S 4.6243 7.3491 112.7957 56.9963 65.0135 173.2284 154 L 4.3316 8.4610 123.2503 55.7034 42.9427 175.4317 155 I 4.9382 8.4086 127.5068 60.0004 38.4363 175.3126 156 R 5.3098 9.2124 123.3247 52.4828 32.8708 173.2953 157 P 3.4864 0.0000 0.0000 61.6779 32.4178 176.1144 158 N 4.8838 8.4382 121.9688 53.3784 36.9710 174.1239 159 I 4.7486 6.9724 119.4690 59.3121 41.2118 177.2794 160 V 4.0101 8.2753 126.8182 62.3431 31.7981 175.8637 161 F 4.3683 9.3010 127.3365 56.3095 40.9467 175.5945 162 F 4.3526 9.0115 120.6841 59.2247 39.1110 176.8679 163 G 4.1624 9.3558 113.2636 45.1242 0.0000 173.0143 164 E 4.7626 7.6512 118.6308 54.2932 31.6126 175.7255 165 N 4.5787 8.4673 119.1866 53.0613 39.3322 175.3999 166 L 4.2798 8.2142 121.6757 53.2803 42.7398 175.7428 167 P 4.2642 0.0000 0.0000 63.1577 31.9869 176.5528 168 Q 3.9320 8.7755 123.6212 59.4815 29.0172 178.2309 169 D 4.3011 8.0490 118.8937 57.2342 40.9440 178.4885 170 A 3.9383 7.8928 120.7256 55.1704 18.4069 179.3011 171 L 3.8803 8.1089 119.0170 58.1481 42.1051 179.0911 172 R 3.8459 8.2278 118.9571 59.4717 29.9586 178.1928 173 E 3.9099 8.4928 119.0971 59.0278 29.5803 178.6131 174 A 3.9442 8.1392 120.9840 55.2122 18.4582 179.7341 175 I 3.7473 8.1239 118.7699 64.2296 36.6327 178.8324 176 G 3.6326 8.2047 106.6303 47.9535 0.0000 175.6790 177 L 4.0306 8.0972 122.2602 57.5361 41.4903 179.9203 178 S 4.1660 8.2839 115.3682 61.4072 62.5277 176.6020 179 S 4.3262 8.0487 116.8801 59.5698 63.0577 175.0060 180 R 4.3801 7.2656 118.6981 56.1068 31.4193 176.5191 181 A 4.2507 7.7961 121.8639 52.2720 18.8686 177.5279 182 S 4.5383 8.8795 116.6132 59.4838 65.0043 173.7907 183 L 5.0815 7.6748 122.9263 53.7859 45.5313 173.8485 184 M 5.1806 9.2558 126.3567 53.7656 35.1512 174.1328 185 I 4.8969 8.6386 126.6084 59.6371 40.2746 174.5485 186 V 4.5010 8.8693 128.5392 61.5979 33.3801 174.6486 187 L 4.8016 8.8080 127.8853 53.3009 44.8396 176.8704 188 G 3.6862 9.2579 113.5705 46.5896 0.0000 171.6696 189 S 4.9585 7.8598 112.9692 56.0902 64.3973 174.2499 190 S 4.2692 8.7473 122.5976 59.0416 63.2723 173.7679 191 L 3.6323 7.6015 119.3124 56.5145 39.1210 175.2430 192 V 4.4249 7.8325 108.3338 60.8664 33.8295 176.1007 193 V 4.4241 7.6337 120.9543 61.4193 32.4582 174.1771 194 Y 4.8724 8.7234 124.8766 55.9624 39.9951 173.8863 195 P 4.7080 0.0000 0.0000 63.2444 32.3975 177.6773 196 A 3.8916 8.1613 122.1508 55.6750 17.9078 179.3910 197 A 3.7149 7.6855 118.0442 54.8726 18.5558 178.7653 198 E 3.9917 7.7811 115.1932 56.9063 29.7615 178.5842 199 L 3.9122 7.7167 120.8750 57.3404 41.6617 177.4786 200 P 4.1514 0.0000 0.0000 65.2366 31.1580 178.3359 201 L 3.8834 7.4409 118.7395 58.1934 42.0885 178.9001 202 I 3.6917 7.6722 119.6874 64.6598 36.9916 178.5715 203 T 4.1846 7.7616 117.8079 66.1180 68.3190 176.9033 204 V 3.8864 7.7924 121.4705 65.7038 31.3822 178.3613 205 R 4.0327 8.1716 116.6692 58.9050 29.9475 178.4522 206 S 4.4458 7.9130 113.7762 58.7345 62.8734 175.4050 207 G 4.1503 7.9343 109.7238 44.8246 0.0000 173.9226 208 G 4.0385 8.2940 107.7179 45.2109 0.0000 173.2841 209 K 4.6564 8.7786 119.7503 54.8491 34.7414 175.6709 210 L 5.1821 8.3701 123.8381 53.2922 45.3503 174.9747 211 V 4.9698 8.9483 126.0501 61.1632 34.6027 173.9769 212 I 4.8450 8.8544 128.5607 59.4492 40.2177 174.5522 213 V 4.6116 8.5191 127.7261 61.4498 33.7406 173.8024 214 N 4.8060 8.6035 125.0524 52.6218 42.9374 173.6189 215 L 4.5840 8.7351 129.0035 53.3122 40.7489 174.5768 216 G 4.2530 7.9244 107.5110 42.3563 0.0000 171.2435 217 E 4.3609 8.2771 121.6049 56.2194 30.5295 176.6042 218 T 4.7676 9.3870 110.9665 59.1443 71.6926 173.2957 219 P 4.3154 0.0000 0.0000 64.3423 31.5482 177.0824 220 F 5.0851 7.9045 115.8562 56.3248 39.8814 176.9954 221 D 4.5001 8.2017 123.9833 57.1762 40.8448 178.5197 222 D 4.4423 8.2466 118.5221 55.2886 39.5432 177.3777 223 I 4.4241 7.6735 111.3068 60.2492 37.9518 175.0854 224 A 4.4359 7.5627 124.3742 52.1142 19.4039 178.2648 225 T 4.2075 8.9753 120.2814 66.0140 69.2691 175.4563 226 L 4.7947 7.8604 119.7061 52.6414 46.2166 175.6129 227 K 4.7766 8.4315 123.3600 54.9489 34.9584 174.8977 228 Y 4.2816 9.2298 126.5163 56.4950 39.3311 174.2493 229 N 5.8247 8.8857 124.6183 51.5252 37.7837 173.3352 230 M 4.6798 7.8777 119.5186 53.5197 34.6306 174.1649 231 D 4.3968 8.6326 118.8923 54.4428 42.1406 177.4035 232 V 3.6275 8.4431 125.1044 66.0862 31.4858 178.5325 233 V 3.6045 7.8331 117.7028 65.8757 31.4844 177.5060 234 E 3.9014 8.7180 119.2905 58.9932 29.3883 178.5508 235 F 3.9831 8.2606 120.6566 61.1582 39.4045 176.9255 236 A 3.7492 8.1446 120.3808 55.0435 18.1856 179.4712 237 R 3.7527 8.1164 117.3357 59.7512 30.0593 178.9895 238 R 3.8363 7.8891 117.7444 59.0689 30.0050 179.2473 239 V 3.3562 7.4450 118.1189 66.1567 31.3987 178.0192 240 M 4.0328 8.0423 118.5350 58.2134 31.2321 178.3925 241 E 3.8618 8.1455 119.3031 59.5650 29.7374 178.8278 242 E 4.1820 8.3117 117.3355 58.5929 29.6597 178.6819 243 G 3.8581 8.4213 104.2955 44.0242 0.0000 173.5325 244 G 3.8575 7.5957 107.7528 46.8744 0.0000 174.0514 245 I 4.0200 7.9750 125.5791 61.0433 37.2599 176.0668 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 M 8.30 4.50 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 2 K 8.59 4.01 0.00 1.92 1.86 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 3 M 8.88 4.44 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 4 K 8.20 3.83 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.60 7.81 5 E 8.36 4.04 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 6 F 8.39 4.29 0.00 3.41 3.34 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 7 L 8.53 3.75 0.00 1.82 1.68 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.22 4.29 0.00 2.83 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 9 L 7.65 3.95 0.00 1.73 1.66 1.00 0.55 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 10 L 7.46 3.73 0.00 0.90 1.48 0.88 1.23 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 11 N 8.12 4.45 0.00 2.72 2.82 0.00 0.00 7.08 8.52 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 12 E 7.94 4.24 0.00 1.96 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 2.39 0.00 13 S 7.39 4.22 0.00 3.91 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 14 R 8.55 4.07 0.00 1.95 2.03 0.00 3.03 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 15 L 8.06 4.61 0.00 1.68 1.50 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.61 5.14 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 1.22 0.00 0.00 17 V 8.66 5.03 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 0.75 0.00 0.00 0.91 0.00 0.00 18 T 8.43 5.12 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 1.25 0.00 0.00 19 L 8.92 5.30 0.00 1.67 1.46 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 20 T 9.07 5.10 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 21 G 8.44 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.83 4.01 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 23 G 8.41 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 0.00 0.00 0.00 24 I 7.59 4.01 1.83 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 1.19 0.76 0.99 0.00 0.00 25 S 7.85 4.74 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.73 4.71 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 1.25 0.00 0.00 27 P 0.00 4.36 0.00 2.04 2.15 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 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0.00 45 Q 8.41 4.08 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 46 N 7.55 4.72 0.00 2.39 2.84 0.00 0.00 6.60 6.96 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 47 V 6.80 3.10 1.55 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 -0.45 0.00 0.00 0.28 0.00 0.00 48 F 8.08 5.03 0.00 3.28 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 49 D 8.37 5.42 0.00 2.97 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 50 I 8.60 3.21 1.90 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.24 1.06 0.00 0.00 51 D 8.16 4.51 0.00 2.98 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 52 F 8.19 4.07 0.00 3.20 3.38 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 53 F 7.89 3.74 0.00 2.00 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 0.00 0.00 0.00 0.00 54 Y 7.33 4.08 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 55 S 7.55 4.17 0.00 3.59 3.54 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 0.00 0.00 0.00 0.00 56 H 7.98 4.96 0.00 2.01 2.97 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.90 0.00 2.17 1.67 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 58 E 8.10 4.31 0.00 2.25 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 2.40 2.37 0.00 59 E 8.10 4.16 0.00 2.23 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 0.00 2.33 2.46 0.00 60 F 8.09 4.19 0.00 3.29 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 61 Y 8.33 4.11 0.00 3.21 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 62 R 7.70 4.04 0.00 2.12 2.23 0.00 3.38 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 63 F 7.99 3.14 0.00 2.46 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 64 A 7.47 2.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.22 4.36 0.00 1.91 1.97 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.78 1.82 7.81 66 E 7.60 4.60 0.00 1.96 1.85 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 2.24 2.37 0.00 67 G 7.27 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 68 I 6.67 4.37 1.27 0.00 0.00 0.44 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 0.42 0.86 0.00 0.00 69 F 8.03 4.59 0.00 2.99 2.97 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 70 P 0.00 4.40 0.00 2.16 2.13 0.00 3.56 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 71 M 8.03 4.37 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.99 0.00 72 L 8.00 4.13 0.00 1.80 1.83 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.77 4.29 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 74 A 7.43 4.16 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 75 K 8.17 4.67 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 76 P 0.00 4.27 0.00 2.17 2.15 0.00 3.72 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 1.98 2.10 0.00 77 N 8.53 4.99 0.00 3.01 3.03 0.00 0.00 5.74 6.67 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 78 L 8.47 3.92 0.00 1.77 1.71 0.91 0.92 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 79 A 8.35 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.26 4.17 0.00 3.37 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.02 3.63 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 1.09 0.00 0.00 1.02 0.00 0.00 82 L 8.18 3.94 0.00 1.87 1.87 0.92 0.73 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 83 L 7.98 4.00 0.00 1.98 1.73 0.98 0.82 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 84 A 7.84 4.03 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 85 K 8.40 3.99 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 86 L 8.32 4.04 0.00 1.85 1.74 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 95 V 8.32 4.53 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 96 I 8.90 4.78 1.91 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 1.07 0.59 0.85 0.00 0.00 97 T 8.90 5.06 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 1.30 0.00 0.00 98 Q 8.87 4.21 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 99 N 8.19 4.66 0.00 2.74 2.89 0.00 0.00 6.83 7.04 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 0.00 100 I 8.32 4.57 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.23 0.88 0.00 0.00 101 D 8.00 4.43 0.00 2.80 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.06 4.34 0.00 2.04 2.06 0.00 3.70 0.00 0.00 3.48 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 103 L 8.42 3.98 0.00 1.45 1.20 0.87 1.09 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 0.00 104 H 8.02 4.24 0.00 3.19 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.04 4.06 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 106 R 7.89 4.01 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 107 A 7.61 4.31 1.42 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 0.00 0.00 108 G 7.78 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 0.00 109 S 7.74 4.42 0.00 4.06 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 0.00 110 K 9.60 4.11 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.37 7.81 111 K 8.37 4.45 0.00 1.85 1.77 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 112 V 8.22 4.86 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 0.88 0.00 0.00 0.93 0.00 0.00 113 I 9.03 4.26 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.89 0.00 0.00 114 E 8.62 4.53 0.00 1.89 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 2.34 2.32 0.00 115 L 8.54 4.02 0.00 1.44 1.56 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.14 4.77 0.00 3.15 3.01 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.07 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 0.00 0.00 0.00 118 N 8.10 5.05 0.00 2.78 3.02 0.00 0.00 6.91 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 0.00 119 V 8.38 3.99 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 0.85 0.00 0.00 1.10 0.00 0.00 120 E 8.63 4.61 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 121 E 8.36 5.15 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 122 Y 9.08 5.31 0.00 3.21 2.97 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 0.00 123 Y 8.58 5.55 0.00 3.23 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 0.00 124 C 9.37 4.84 0.00 3.30 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 0.00 125 V 8.92 3.94 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 0.94 0.00 0.00 1.12 0.00 0.00 126 R 8.08 4.19 0.00 1.80 2.00 0.00 3.30 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 127 C 8.02 4.45 0.00 3.19 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 0.00 128 E 8.42 4.23 0.00 2.19 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 2.26 2.29 0.00 129 K 7.51 4.10 0.00 2.10 1.87 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.00 1.29 7.81 130 K 8.50 4.91 0.00 1.64 1.75 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.48 7.81 131 Y 9.25 4.97 0.00 3.00 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 0.00 132 T 9.03 5.10 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 1.27 0.00 0.00 133 V 8.57 3.59 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 0.93 0.00 0.00 1.20 0.00 0.00 134 E 8.11 3.92 0.00 2.01 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 2.34 2.39 0.00 135 D 7.86 4.29 0.00 3.16 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 0.00 136 V 7.49 3.29 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.27 0.00 0.00 137 I 7.17 3.24 1.70 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.08 0.65 0.00 0.00 138 K 7.86 4.00 0.00 1.85 1.90 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 139 K 7.96 3.93 0.00 1.80 1.67 0.00 1.37 0.00 0.00 1.40 0.00 0.00 2.73 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.34 1.51 7.81 140 L 7.57 4.87 0.00 1.68 1.70 1.04 0.63 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 0.00 141 E 7.87 4.31 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 142 S 7.65 4.66 0.00 3.93 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 0.00 143 S 7.41 4.56 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.52 4.69 0.00 2.72 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 0.00 145 V 7.31 4.32 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 0.81 0.00 0.00 0.98 0.00 0.00 146 P 0.00 4.33 0.00 1.84 1.77 0.00 3.31 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.18 0.00 147 L 8.12 5.22 0.00 1.46 1.68 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 148 C 9.07 4.26 0.00 3.13 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 0.00 149 D 9.51 4.63 0.00 2.84 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 0.00 150 D 8.33 4.67 0.00 2.71 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 0.00 151 C 7.81 4.64 0.00 3.09 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 0.00 152 N 8.21 5.03 0.00 2.86 2.93 0.00 0.00 7.38 7.63 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 0.00 153 S 7.35 4.62 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.46 4.33 0.00 1.80 1.63 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.41 4.94 1.90 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 1.02 0.00 0.00 156 R 9.21 5.31 0.00 1.38 2.18 0.00 2.99 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 157 P 0.00 3.49 0.00 1.68 1.64 0.00 3.09 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 158 N 8.44 4.88 0.00 3.03 2.83 0.00 0.00 7.10 7.88 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 0.00 159 I 6.97 4.75 1.29 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.49 0.00 0.00 160 V 8.28 4.01 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 0.67 0.00 0.00 0.93 0.00 0.00 161 F 9.30 4.37 0.00 2.98 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 0.00 162 F 9.01 4.35 0.00 3.44 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 0.00 163 G 9.36 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 0.00 0.00 0.00 164 E 7.65 4.76 0.00 2.18 1.92 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 2.35 2.34 0.00 165 N 8.47 4.58 0.00 2.75 2.77 0.00 0.00 7.01 7.85 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 0.00 166 L 8.21 4.28 0.00 1.63 1.60 0.95 1.04 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 0.00 167 P 0.00 4.26 0.00 2.24 2.19 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 168 Q 8.78 3.93 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 169 D 8.05 4.30 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.89 3.94 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 0.00 171 L 8.11 3.88 0.00 1.81 1.72 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.23 3.85 0.00 2.05 2.11 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 173 E 8.49 3.91 0.00 2.05 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 2.29 2.31 0.00 174 A 8.14 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.12 3.75 2.04 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 1.44 0.80 0.90 0.00 0.00 176 G 8.20 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.10 4.03 0.00 1.81 1.71 0.90 1.13 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 0.00 178 S 8.28 4.17 0.00 3.97 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 0.00 179 S 8.05 4.33 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 7.27 4.38 0.00 1.82 1.99 0.00 3.16 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 181 A 7.80 4.25 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 0.00 182 S 8.88 4.54 0.00 3.90 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 0.00 183 L 7.67 5.08 0.00 1.72 1.48 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 184 M 9.26 5.18 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 185 I 8.64 4.90 1.95 0.00 0.00 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 1.36 0.79 0.99 0.00 0.00 186 V 8.87 4.50 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 0.92 0.00 0.00 0.87 0.00 0.00 187 L 8.81 4.80 0.00 1.53 1.48 nan 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 188 G 9.26 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.86 4.96 0.00 3.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.75 4.27 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.60 3.63 0.00 2.01 1.91 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.83 4.42 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 0.78 0.00 0.00 1.00 0.00 0.00 193 V 7.63 4.42 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 1.23 0.00 0.00 1.11 0.00 0.00 194 Y 8.72 4.87 0.00 3.02 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 0.00 195 P 0.00 4.71 0.00 2.27 2.38 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 196 A 8.16 3.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.69 3.71 0.72 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 0.00 198 E 7.78 3.99 0.00 2.20 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 2.50 2.51 0.00 199 L 7.72 3.91 0.00 1.63 1.63 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.15 0.00 1.79 1.95 0.00 3.38 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 201 L 7.44 3.88 0.00 1.56 1.77 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 202 I 7.67 3.69 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.94 0.89 0.00 0.00 203 T 7.76 4.18 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 1.25 0.00 0.00 204 V 7.79 3.89 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 1.31 0.00 0.00 1.00 0.00 0.00 205 R 8.17 4.03 0.00 1.85 1.99 0.00 3.39 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 206 S 7.91 4.45 0.00 4.06 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 0.00 207 G 7.93 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 0.00 0.00 0.00 208 G 8.29 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 8.78 4.66 0.00 1.71 1.75 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.38 7.81 210 L 8.37 5.18 0.00 1.72 1.49 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 211 V 8.95 4.97 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 1.14 0.00 0.00 1.19 0.00 0.00 212 I 8.85 4.84 1.87 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 1.11 0.58 0.89 0.00 0.00 213 V 8.52 4.61 1.61 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 0.36 0.00 0.00 -0.54 0.00 0.00 214 N 8.60 4.81 0.00 2.82 2.56 0.00 0.00 6.46 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 0.00 215 L 8.74 4.58 0.00 1.67 1.58 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 216 G 7.92 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 0.00 0.00 0.00 0.00 217 E 8.28 4.36 0.00 1.97 1.89 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 2.30 2.29 0.00 218 T 9.39 4.77 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 219 P 0.00 4.32 0.00 1.58 1.90 0.00 3.74 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 2.03 2.06 0.00 220 F 7.90 5.09 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 D 8.20 4.50 0.00 2.75 2.72 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 0.00 222 D 8.25 4.44 0.00 2.83 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 0.00 223 I 7.67 4.42 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.99 0.00 0.00 224 A 7.56 4.44 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 0.00 225 T 8.98 4.21 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 226 L 7.86 4.79 0.00 1.69 1.45 1.22 0.99 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 0.00 227 K 8.43 4.78 0.00 1.65 1.56 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.44 7.81 228 Y 9.23 4.28 0.00 2.59 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 0.00 229 N 8.89 5.82 0.00 2.72 2.75 0.00 0.00 7.17 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 0.00 230 M 7.88 4.68 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 231 D 8.63 4.40 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 V 8.44 3.63 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 0.96 0.00 0.00 0.91 0.00 0.00 233 V 7.83 3.60 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 1.05 0.00 0.00 0.96 0.00 0.00 234 E 8.72 3.90 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 235 F 8.26 3.98 0.00 3.05 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 0.00 236 A 8.14 3.75 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 0.00 237 R 8.12 3.75 0.00 1.94 2.06 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 238 R 7.89 3.84 0.00 1.76 1.79 0.00 3.30 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 239 V 7.45 3.36 1.89 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 0.94 0.00 0.00 -0.10 0.00 0.00 240 M 8.04 4.03 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 241 E 8.15 3.86 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 242 E 8.31 4.18 0.00 2.00 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 2.42 2.45 0.00 243 G 8.42 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 0.00 0.00 0.00 244 G 7.60 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 0.00 0.00 0.00 245 I 7.98 4.02 1.85 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 1.15 0.64 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.