NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4689 8.3349 117.0999 57.4724 64.1111 173.2833 -1 N 4.0673 8.8380 123.0133 52.2951 39.1339 174.2441 0 A 3.6175 9.3660 127.1487 54.3137 20.4683 178.5974 0 N 4.0375 9.5260 122.0487 54.9137 40.2683 175.9974 3 D 4.3730 8.1326 117.9158 57.2598 40.5819 178.6894 4 I 3.7375 7.7671 119.0532 64.5223 37.4303 178.1563 5 V 3.7403 7.7891 118.1740 65.9989 31.2714 177.8298 6 A 4.0938 7.9931 119.0640 54.4939 18.2830 178.4767 7 S 4.6074 7.7587 110.6152 57.6692 63.6366 173.7684 8 T 4.6385 7.2516 119.4751 62.2985 70.4541 174.3127 9 Q 4.2132 8.8834 125.6862 58.1290 29.3041 176.3777 10 L 4.8830 7.4784 114.8767 51.5896 45.6106 174.3129 11 P 4.6196 0.0000 0.0000 63.7723 31.6401 175.6143 12 N 4.7276 9.1448 121.7038 53.4678 39.8764 174.2821 13 T 4.5883 8.8139 112.6210 59.0847 72.7431 174.7646 14 I 3.6615 8.6757 123.9750 65.2552 36.8217 179.3979 15 K 3.9825 7.9105 123.8489 60.0982 31.6787 181.0859 16 T 4.0774 7.9647 111.4663 64.4658 68.5779 176.7564 17 I 3.6925 7.9787 122.9594 64.3279 37.1163 178.2664 18 T 3.8152 8.0466 116.7957 66.8327 68.3305 176.3798 19 N 4.3200 8.4261 118.5113 56.4415 38.5871 177.2726 20 D 4.3575 8.3753 120.5786 57.2061 40.9731 178.8384 21 L 3.9365 8.3355 119.8661 57.9771 41.5500 179.8346 22 R 4.1661 8.0482 119.3220 58.5064 29.7244 178.9874 23 K 3.8863 7.8957 118.6397 59.5061 32.2658 178.3537 24 L 4.1146 7.7569 119.6462 57.4604 42.0777 176.3097 25 G 3.3639 7.1477 106.0539 44.5784 0.0000 173.6600 26 L 3.9653 7.8289 124.2734 54.8043 42.6649 175.9598 27 K 4.6683 7.9595 123.3268 53.8728 36.1820 175.8719 28 K 4.0446 8.0401 121.0800 57.8464 32.3971 175.6232 29 G 3.4691 8.6285 114.9682 45.9540 0.0000 170.9948 *31 T 4.5152 7.6123 117.0329 63.7481 70.6668 173.3320 32 V 5.0271 8.8783 126.2906 59.9328 35.0842 174.2048 33 I 4.6863 8.8387 125.5762 59.8007 39.4488 174.2476 34 V 4.8743 8.4810 129.4919 61.3821 33.9135 174.3403 35 H 5.1387 9.0497 123.9354 54.1543 32.3927 172.6711 36 S 5.1048 8.5565 115.2710 57.1627 66.1877 173.0362 37 S 4.5801 8.4131 116.2701 56.4099 63.3514 173.7154 38 L 4.0745 8.7230 129.9019 58.0955 42.5624 179.0427 39 S 4.2459 8.0209 113.1468 60.8268 63.7306 176.2187 40 S 4.2055 8.0071 115.7280 60.9521 62.9466 176.5092 41 I 3.7676 7.6040 122.0310 62.3681 37.0348 176.4769 42 G 3.9342 7.6867 105.5831 43.7378 0.0000 172.2924 43 W 4.1230 9.0850 129.0388 57.1755 31.1126 174.9104 44 I 4.3567 6.9061 125.9430 59.0218 38.7513 174.7971 45 S 3.5873 8.2656 120.8939 61.5439 61.0421 173.8363 46 G 3.9884 8.8551 116.2286 44.1268 0.0000 173.6745 47 G 3.6600 7.3247 109.0998 46.0819 0.0000 176.1607 48 A 3.9065 8.6073 124.0099 54.8645 17.9945 179.5408 49 V 3.5379 7.5147 116.1698 66.2411 31.5611 178.1288 50 A 3.9121 7.6710 120.5061 54.9901 18.1043 179.9014 51 V 3.4128 7.4237 116.3405 65.9600 31.5359 178.2437 52 V 3.3443 7.3760 116.7047 66.0916 31.4458 177.5266 53 E 3.8687 7.9772 116.7184 59.1379 29.6232 178.9402 54 A 4.1248 7.8887 120.7991 54.9721 18.3453 180.6887 55 L 3.7597 7.6181 114.9832 55.4365 41.3988 178.8793 *57 E 4.2049 8.1190 121.6903 56.3353 31.4885 177.3006 58 V 3.7517 7.7796 118.0973 66.0635 32.0545 178.1854 59 I 3.6558 8.2812 121.1863 63.4843 37.2454 176.8558 60 T 4.0835 8.2013 109.6993 60.6732 68.7323 172.4269 61 E 3.1151 8.7888 123.0309 59.4583 29.4751 179.1655 62 E 4.0534 8.0906 114.0992 57.4282 30.4903 181.6132 63 G 4.4948 7.9459 105.4743 45.9940 0.0000 172.2893 64 T 5.3476 8.3657 114.9697 62.2061 73.2825 172.9977 65 I 4.9944 9.5718 126.9948 59.8209 40.1885 174.9184 66 I 5.8425 8.8080 126.6974 57.8050 41.5463 172.2120 *68 P 4.0719 0.0000 0.0000 62.3952 32.0039 176.8925 69 T 4.7871 7.8371 111.4718 61.0634 67.6118 174.2169 70 Q 4.3579 7.8607 120.8372 56.2236 30.7739 178.0562 71 S 5.0397 8.4015 115.1148 57.0941 62.9979 175.3986 72 S 4.3074 7.8426 116.6784 61.2397 63.5558 176.1218 73 D 4.3194 7.9403 119.0876 54.5044 39.3020 176.5879 74 L 4.5281 8.0479 119.7002 55.4822 41.9788 176.8746 75 S 5.1647 7.9981 113.7550 56.0111 64.5113 173.3702 76 D 4.4973 8.6646 120.4086 53.8775 41.2114 174.9491 77 P 2.0000 0.0000 0.0000 63.7059 31.5759 178.7328 78 K 2.0000 6.8009 120.9212 57.2884 31.3349 182.8132 79 H 4.7216 7.0665 113.3259 55.4110 28.9830 175.6469 80 W 4.6528 7.6589 121.3123 56.8080 29.3493 176.2201 81 S 4.7121 8.9253 116.6533 58.3284 64.5646 174.2463 82 R 4.8353 7.8127 118.0256 53.9484 29.6255 177.5536 83 P 5.1983 0.0000 0.0000 59.2713 34.2066 174.2393 84 P 4.8776 0.0000 0.0000 62.8093 32.0513 175.8542 85 V 4.3722 8.1481 111.4437 58.4262 35.3394 174.0603 86 P 3.9751 0.0000 0.0000 62.9095 31.8178 177.4669 87 E 2.0000 8.0113 121.0934 58.4135 29.1811 178.8066 88 E 3.8900 7.8893 117.5595 59.0931 29.6578 178.6349 89 W 4.5688 8.0825 118.1230 58.3154 29.2930 178.6151 90 W 4.2494 8.1101 119.8210 59.8622 28.4771 178.1695 91 Q 3.8898 8.1040 119.0353 58.9035 28.4804 177.8832 92 I 3.6501 7.7342 120.4977 64.3729 37.1068 178.1471 93 I 3.6699 7.9459 120.5857 64.6590 36.7869 178.5787 94 R 2.7462 7.3354 117.1608 59.0962 29.7775 178.3998 95 D 4.5067 7.8777 117.0198 55.8628 41.0429 176.8842 96 N 4.9657 7.6347 113.9792 52.6338 41.0201 175.4010 97 V 3.7609 7.9638 118.4062 61.1500 31.6865 174.4512 98 P 4.3811 0.0000 0.0000 62.0682 31.8798 176.0346 99 A 4.4610 8.5226 124.0070 52.0153 19.1138 177.0876 100 F 4.2761 8.8880 124.0074 58.6458 40.3288 174.5816 101 E 4.4265 8.3488 124.8623 53.8193 32.6131 174.7150 102 P 3.7368 0.0000 0.0000 65.7485 31.3927 177.0365 103 H 4.5259 8.1982 111.5545 56.2991 29.2316 175.2934 104 I 4.1860 7.0420 118.9404 63.0158 39.3370 176.3621 105 T 3.8853 7.6431 117.1559 62.9495 68.4803 172.8010 106 P 4.5116 0.0000 0.0000 62.2513 32.1990 176.1465 107 T 4.5336 8.4632 111.1103 61.0332 69.9243 174.1186 108 R 4.3518 8.1421 121.7181 55.4435 32.9257 174.7838 109 A 3.4190 8.5100 127.3607 53.0146 15.3375 176.9001 *111 G 3.7781 7.3242 108.7285 43.5032 0.0000 171.4010 112 K 4.0182 8.3911 119.9334 59.1574 31.9276 179.8699 113 V 3.5361 7.7122 118.2065 65.9877 31.4161 178.0986 114 V 3.6671 7.7193 117.4030 66.1105 31.2470 177.5785 115 E 3.9844 8.0712 117.2008 59.5454 29.7231 178.7069 116 C 4.3074 8.4141 118.8652 62.3618 31.6813 175.3347 117 F 4.3419 8.5540 122.7660 61.4217 38.8309 177.3468 118 R 3.8966 8.3689 114.5432 58.4029 29.2823 177.1919 119 T 4.3902 7.0709 106.6427 61.1616 69.5867 174.1232 120 Y 3.9901 7.8072 124.7075 56.6728 39.4284 173.2765 121 P 4.4733 0.0000 0.0000 64.3563 31.7754 176.5817 122 N 4.5760 9.0218 118.5604 53.2095 36.3330 174.4280 123 V 4.3087 7.7077 119.0860 62.3798 32.4284 175.5735 124 V 4.6302 9.0494 126.7122 59.8746 34.4886 174.3613 125 R 5.2801 8.4469 122.2341 54.4940 33.0340 174.9633 126 S 4.7059 9.0911 121.1402 58.0952 63.9627 173.6724 127 N 4.6909 8.7934 117.3205 55.1058 39.1289 174.5253 128 H 3.9397 7.8813 118.2855 55.5896 30.3364 173.2350 129 P 3.2064 0.0000 0.0000 63.8968 32.0211 176.5668 130 L 4.5898 7.9489 117.9198 54.6865 45.1475 177.7071 131 G 4.1569 7.9649 104.9164 45.6438 0.0000 173.6614 132 S 4.9355 7.9644 114.1103 57.4592 64.9254 172.6894 133 F 5.2303 9.4627 118.4375 55.6952 43.1326 174.0069 134 A 5.4913 8.8810 121.8393 50.4352 22.2516 175.2025 135 A 5.6066 9.6186 121.3271 50.3188 23.6077 174.9949 136 W 5.1542 10.0172 129.1326 57.0600 34.5594 173.7742 137 G 3.1478 8.3789 110.6952 43.7051 0.0000 173.7682 138 R 3.6534 8.4643 119.9371 59.8597 30.2253 179.4520 139 H 4.8775 8.2703 113.5201 55.5038 29.4445 177.0156 140 A 4.0556 7.8620 125.5317 55.6189 18.2779 180.4356 141 E 4.0209 8.2122 118.8859 60.1098 29.4812 179.7542 142 E 4.0228 8.1189 116.8344 61.3460 30.1643 180.7319 143 I 4.0861 8.0625 121.0672 63.6929 36.9910 177.8171 144 T 4.4521 7.5153 108.6805 61.2237 69.7433 175.5397 145 V 3.8206 7.1977 121.9185 62.5292 32.2633 175.4430 146 N 4.1691 8.7374 117.7220 54.2610 36.1657 174.5046 147 Q 4.4055 8.2011 118.3398 55.3748 29.9161 175.3934 148 S 4.4596 8.3858 119.7980 57.7393 64.1789 174.0635 149 L 3.6702 8.3539 124.4637 58.4841 41.9288 178.9540 150 S 5.3731 7.8075 116.3283 57.2737 60.8235 173.5898 *152 S 4.4371 8.0305 118.0925 57.4200 64.8433 175.5799 153 L 4.7211 7.9859 119.4396 54.3159 42.3991 176.9519 154 G 4.2965 7.5927 110.1221 44.8094 0.0000 175.0746 155 E 4.1131 8.8679 119.6267 58.1861 29.6970 177.0693 156 E 4.6412 8.0670 117.6153 55.7775 30.3297 175.6907 157 S 4.6674 7.7124 113.7396 56.7634 65.5108 173.0103 158 P 4.3195 0.0000 0.0000 64.6725 30.6929 178.8818 159 L 3.8207 7.3081 117.8460 57.6401 41.3772 179.3963 160 R 3.8771 7.8895 118.7084 59.2856 30.0150 178.7750 161 K 3.9803 7.8808 117.9440 59.3048 32.0930 179.2784 162 I 3.6561 7.7861 120.2424 64.3352 37.0310 177.5840 163 Y 4.3961 7.8899 121.6993 60.4053 38.3986 178.2849 164 D 4.4667 8.3040 118.1166 56.8662 40.9875 177.8598 165 L 4.1436 7.5804 117.1066 53.9578 42.2691 175.8834 166 D 4.0375 7.8398 117.7209 55.0311 40.1271 173.2578 167 G 4.0152 7.7074 105.7888 45.9599 0.0000 172.6674 168 Y 5.0907 9.2098 116.5439 56.1371 41.8514 175.1875 169 I 4.8714 8.3431 121.9092 59.6301 40.0625 174.1801 170 L 5.0359 9.0066 129.3773 53.3717 44.3816 174.7302 171 L 4.9295 8.9338 127.3635 53.2886 43.9846 175.6769 172 I 4.3746 8.7801 125.7979 59.4751 39.0570 175.6990 173 G 4.3783 8.6228 114.7270 45.5883 0.0000 172.1171 174 V 4.4763 7.5385 110.5267 59.3016 35.9602 175.0918 175 G 4.1897 7.9840 109.8976 44.1789 0.0000 173.7255 176 Y 3.9715 8.4932 115.5172 60.6137 37.9431 177.7062 177 D 4.6446 8.2348 117.5371 54.9534 39.6737 176.7664 178 S 4.5293 7.8713 115.2335 58.7099 63.7624 174.6945 179 N 4.4577 8.1293 121.0657 52.3184 37.1515 174.9241 180 T 3.9921 8.1105 120.9024 66.5233 68.7627 175.4725 181 S 4.0721 8.2208 116.3613 61.7141 62.7219 176.4888 182 V 3.6056 7.4418 119.4561 64.5062 31.0349 178.0255 183 G 3.6076 7.9746 106.0875 48.1744 0.0000 175.3580 184 L 4.0693 7.8713 122.6123 58.1447 41.9905 179.2384 185 S 4.3070 7.8351 115.8604 61.0474 62.7858 176.4020 186 E 3.5015 8.0018 121.0210 59.2361 28.7412 179.5323 187 V 3.5969 7.8903 118.2043 66.2477 31.4063 178.3454 188 R 4.0488 7.7969 116.6823 58.7101 30.0227 178.5005 189 S 4.4548 8.0074 112.5491 58.4845 63.4082 174.9937 190 G 3.7638 7.5552 108.7350 46.3450 0.0000 175.0311 191 A 3.8725 7.5030 122.6901 54.8577 18.4262 179.5616 192 C 4.3874 7.4826 114.0532 59.1299 29.5811 173.9952 193 E 4.2830 8.2145 116.6264 55.6058 30.1699 174.9116 194 L 4.8695 8.0771 120.6946 53.7222 43.4739 176.1938 195 I 4.6595 8.6174 115.3773 58.8382 41.3833 174.5019 196 K 4.5708 8.6694 124.1404 56.6395 32.6597 176.5775 197 V 4.4224 8.5412 118.0839 59.4813 36.0182 174.4790 198 G 4.0749 7.9084 106.4845 45.3251 0.0000 171.3203 199 A 4.3440 7.6455 120.6308 50.0993 23.5450 173.3344 200 P 5.3431 0.0000 0.0000 61.4562 33.6315 174.7133 201 I 4.9829 8.6912 116.1682 59.0547 41.7306 174.2455 202 I 4.6872 8.3442 123.3256 60.1563 37.9626 175.2170 203 E 4.4744 9.1651 131.1018 56.0913 32.0241 176.1904 204 N 4.3021 9.9767 123.8663 53.4380 34.9202 171.9543 205 G 4.0782 8.3869 105.4057 46.0217 0.0000 173.2793 206 E 4.7995 7.8999 118.6712 53.9922 33.8746 175.2742 207 R 4.5332 8.7226 123.2122 56.5479 30.7390 175.5564 208 V 4.5240 8.7427 127.4428 60.6774 34.2698 174.2124 209 W 4.6956 9.0156 135.0000 56.9861 31.4411 174.8296 210 K 4.5994 8.6584 129.1601 54.6323 34.2517 174.3942 211 E 5.0351 8.6091 126.3335 55.1777 31.7452 174.8989 212 F 4.7905 8.1865 116.9429 56.6288 42.2446 172.2035 213 V 4.8146 8.5839 118.5611 60.2826 33.7405 172.1399 214 D 4.5775 8.7606 129.0883 53.9004 44.6212 176.6630 *216 D 4.1096 8.8440 108.8552 53.7003 40.6825 172.3025 217 Y 4.2749 7.7927 118.9589 57.5168 38.8132 175.4780 218 D 4.7197 8.5564 123.8560 52.2596 42.3324 176.7206 219 S 2.8655 8.2285 124.1713 61.1072 63.2985 176.8571 220 D 4.4048 8.2792 122.5787 57.7611 40.5508 179.0893 221 K 4.0192 7.6415 123.8776 60.1262 31.6437 181.2776 222 F 4.5686 8.0581 118.5332 60.4432 38.7764 178.0331 223 V 3.7405 7.8206 120.5417 66.5436 31.4492 178.5103 224 E 3.9180 8.0144 117.5368 61.1335 29.4932 180.6982 225 I 3.1716 6.8922 120.6418 63.7710 37.0750 178.5229 226 G 2.2895 7.8227 106.7787 47.4108 0.0000 175.2491 227 V 3.4603 7.3691 120.9020 66.0005 31.2035 178.0019 228 E 3.9715 7.6967 116.1020 59.4365 29.5794 178.8862 229 F 3.1200 8.2140 120.9902 60.6599 39.2188 176.8540 230 E 3.7067 8.0982 121.5643 59.9079 29.2713 179.1322 231 Q 4.0865 7.5905 121.5603 61.0321 28.1051 181.1999 232 K 4.3103 7.1336 122.1201 57.6085 31.8082 180.8116 233 G 4.0303 8.2602 109.1543 47.1034 0.0000 174.7342 234 T 4.5228 6.9942 110.6162 60.2885 69.4207 178.9762 235 V 4.6354 7.5916 122.6990 62.0401 34.1184 175.4869 236 T 4.1741 8.7136 125.1666 63.0740 70.4371 173.7844 *238 G 3.9488 8.3125 109.2973 46.5137 0.0000 171.7540 239 K 5.6421 8.3652 117.5741 53.7910 34.4201 176.5964 240 I 4.4596 7.9574 122.3168 60.1396 39.6494 176.7833 241 G 3.9849 8.1329 116.9830 46.2489 0.0000 174.3102 242 N 4.5745 9.3630 122.5724 53.1502 38.9959 174.5461 243 A 4.3140 8.2814 125.2066 51.8497 20.1929 177.5815 244 K 4.5400 8.6722 126.3237 55.1257 32.7649 173.1817 245 C 5.3741 8.9710 123.4442 57.0620 31.7007 173.9745 246 R 4.9609 8.7325 118.8822 54.5503 34.2970 174.1784 247 L 5.6679 8.5879 123.3636 52.0987 46.3511 175.4736 *249 K 4.0718 8.4495 122.7700 56.0065 33.6185 176.7061 250 Q 3.9124 8.6530 125.0200 59.2202 28.8861 178.4886 251 R 3.7163 7.7567 118.5887 59.3618 30.0318 178.5174 252 D 4.3970 7.8871 117.7968 57.5631 40.9280 178.6072 253 I 2.5318 7.2802 118.5613 63.4919 37.7494 178.1050 254 V 3.8171 7.8794 120.7105 65.6552 31.4168 177.8038 255 D 4.4320 8.4830 118.8912 57.2715 40.6048 178.5631 256 F 4.2943 8.4256 121.3981 61.2600 39.4327 177.4582 257 G 3.5211 8.5153 105.7485 47.9772 0.0000 175.5395 258 T 4.1173 8.3763 121.1059 67.2097 68.4222 176.9062 259 E 3.9806 8.1231 119.8370 60.9872 29.5099 180.6220 260 W 4.0039 8.0865 128.6474 60.4579 30.6565 177.7830 261 F 4.3844 8.3476 118.9758 60.8007 38.4773 176.3165 *262 R 4.3117 7.6195 120.3341 56.2246 31.1401 178.8215 263 K 4.1615 7.7198 122.7872 54.8765 31.5662 176.5919 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 -2 S 8.33 4.47 0.00 3.65 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.84 4.07 0.00 2.90 2.82 0.00 0.00 6.97 6.83 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 A 9.37 3.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 N 9.53 4.04 0.00 2.62 2.71 0.00 0.00 6.77 6.91 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 3 D 8.13 4.37 0.00 2.72 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 4 I 7.77 3.74 1.98 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 1.57 0.58 1.08 0.00 0.00 5 V 7.79 3.74 2.00 0.00 0.00 0.00 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 0.68 0.00 0.00 6 A 7.99 4.09 1.36 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 7 S 7.76 4.61 0.00 4.08 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 8 T 7.25 4.64 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 9 Q 8.88 4.21 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 10 L 7.48 4.88 0.00 1.60 1.54 0.94 1.02 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 11 P 0.00 4.62 0.00 2.27 2.55 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 12 N 9.14 4.73 0.00 2.72 2.71 0.00 0.00 6.18 6.49 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 13 T 8.81 4.59 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 1.23 0.00 0.00 14 I 8.68 3.66 1.84 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 1.62 0.55 0.87 0.00 0.00 15 K 7.91 3.98 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.06 7.81 16 T 7.96 4.08 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 17 I 7.98 3.69 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.84 0.00 0.00 18 T 8.05 3.82 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 1.19 0.00 0.00 19 N 8.43 4.32 0.00 2.89 2.85 0.00 0.00 7.09 8.03 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 20 D 8.38 4.36 0.00 2.82 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 21 L 8.34 3.94 0.00 1.77 1.66 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.05 4.17 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 23 K 7.90 3.89 0.00 1.74 2.07 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 24 L 7.76 4.11 0.00 1.78 1.85 0.90 0.96 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.13 4.46 0.00 2.70 2.81 0.00 0.00 7.09 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.11 3.99 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 181 S 8.22 4.07 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 7.44 3.61 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.68 0.00 0.00 183 G 7.97 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 0.00 0.00 0.00 184 L 7.87 4.07 0.00 1.70 1.74 0.85 0.57 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 0.00 185 S 7.84 4.31 0.00 4.21 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 0.00 186 E 8.00 3.50 0.00 2.34 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 0.00 1.86 2.40 0.00 187 V 7.89 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.17 0.00 0.00 188 R 7.80 4.05 0.00 1.83 1.95 0.00 3.05 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 189 S 8.01 4.45 0.00 4.18 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 G 7.56 3.76 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 0.00 0.00 0.00 191 A 7.50 3.87 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 0.00 192 C 7.48 4.39 0.00 2.86 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 0.00 193 E 8.21 4.28 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.89 0.00 194 L 8.08 4.87 0.00 1.47 1.55 0.89 0.69 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 0.00 195 I 8.62 4.66 1.72 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.78 0.00 0.00 196 K 8.67 4.57 0.00 1.64 1.76 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.40 7.81 197 V 8.54 4.42 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 -0.10 0.00 0.00 198 G 7.91 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 A 7.65 4.34 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 5.34 0.00 2.30 2.58 0.00 3.71 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 201 I 8.69 4.98 1.89 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 1.19 0.71 0.83 0.00 0.00 202 I 8.34 4.69 1.92 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 1.28 0.89 0.94 0.00 0.00 203 E 9.17 4.47 0.00 1.95 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 2.19 2.21 0.00 204 N 9.98 4.30 0.00 2.87 2.68 0.00 0.00 6.92 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 G 8.39 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 0.00 206 E 7.90 4.80 0.00 1.90 1.83 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 2.39 2.38 0.00 207 R 8.72 4.53 0.00 1.88 1.92 0.00 3.26 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 208 V 8.74 4.52 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.04 0.00 0.00 209 W 9.02 4.70 0.00 3.52 3.04 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 0.00 210 K 8.66 4.60 0.00 1.75 1.54 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.43 7.81 211 E 8.61 5.04 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 212 F 8.19 4.79 0.00 3.09 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 0.00 213 V 8.58 4.81 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 0.91 0.00 0.00 0.94 0.00 0.00 214 D 8.76 4.58 0.00 2.81 1.71 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 *216 D 8.84 4.11 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 7.79 4.27 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 D 8.56 4.72 0.00 2.68 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 0.00 219 S 8.23 2.87 0.00 3.75 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 0.00 220 D 8.28 4.40 0.00 2.81 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 0.00 221 K 7.64 4.02 0.00 1.86 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.37 7.81 222 F 8.06 4.57 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 7.82 3.74 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 1.03 0.00 0.00 1.00 0.00 0.00 224 E 8.01 3.92 0.00 2.01 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 2.32 1.98 0.00 225 I 6.89 3.17 1.62 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.36 0.70 0.00 0.00 226 G 7.82 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 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.37 3.46 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 1.01 0.00 0.00 0.96 0.00 0.00 228 E 7.70 3.97 0.00 2.28 2.39 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 2.51 2.45 0.00 229 F 8.21 3.12 0.00 2.33 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 0.00 230 E 8.10 3.71 0.00 2.30 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 2.30 2.35 0.00 231 Q 7.59 4.09 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 232 K 7.13 4.31 0.00 1.80 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 233 G 8.26 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 0.00 0.00 0.00 234 T 6.99 4.52 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 0.00 235 V 7.59 4.64 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 1.08 0.00 0.00 1.08 0.00 0.00 236 T 8.71 4.17 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 1.29 0.00 0.00 *238 G 8.31 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 K 8.37 5.64 0.00 1.72 1.85 0.00 1.74 0.00 0.00 2.36 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 240 I 7.96 4.46 1.83 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 1.31 0.82 0.86 0.00 0.00 241 G 8.13 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 N 9.36 4.57 0.00 2.86 2.87 0.00 0.00 6.94 7.77 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 0.00 243 A 8.28 4.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 K 8.67 4.54 0.00 1.46 1.72 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.04 7.81 245 C 8.97 5.37 0.00 2.87 2.87 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 0.00 246 R 8.73 4.96 0.00 1.62 1.75 0.00 2.80 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 247 L 8.59 5.67 0.00 1.71 1.45 0.96 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *249 K 8.45 4.07 0.00 1.81 1.53 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 1.29 7.81 250 Q 8.65 3.91 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 251 R 7.76 3.72 0.00 1.63 1.68 0.00 2.99 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 252 D 7.89 4.40 0.00 3.06 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 0.00 253 I 7.28 2.53 1.12 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.20 0.84 0.00 0.00 254 V 7.88 3.82 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.06 0.00 0.00 255 D 8.48 4.43 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 0.00 256 F 8.43 4.29 0.00 3.38 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 G 8.52 3.52 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 0.00 258 T 8.38 4.12 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 259 E 8.12 3.98 0.00 1.99 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 2.25 2.20 0.00 260 W 8.09 4.00 0.00 2.69 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 261 F 8.35 4.38 0.00 3.21 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 *262 R 7.62 4.31 0.00 1.57 1.73 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.89 0.00 263 K 7.72 4.16 0.00 1.72 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.