NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0871 8.0093 121.4426 61.3277 37.5800 175.6803 3 T 4.1487 8.2329 116.9161 60.5062 71.2467 173.7321 4 D 4.3861 8.7055 120.9194 57.0725 41.2082 179.7575 5 E 3.9216 8.1646 119.8885 59.5629 29.6484 178.3684 6 H 4.5724 7.8740 115.5172 59.2077 28.7237 177.9442 7 I 3.9800 7.6307 121.7138 64.2395 36.8887 178.1519 8 E 3.9554 8.9717 120.8542 58.9742 29.4428 178.5915 9 L 3.8194 8.1849 120.5900 57.8790 42.0935 178.5920 10 F 3.8830 8.4536 120.6181 61.2632 39.3638 176.9885 11 L 3.7768 8.2564 118.3614 57.8225 41.4842 179.3298 12 A 3.7556 7.8123 120.5448 55.2234 18.3112 179.5057 13 Q 3.1716 7.6126 117.6744 58.5827 28.8760 177.8508 14 A 3.7951 7.5168 122.2364 55.6142 18.2618 179.3987 15 H 4.4849 8.2504 116.0651 58.4432 28.6215 178.3019 16 R 3.8322 7.7724 117.8628 59.2517 29.3103 178.5667 17 Y 4.6392 7.5991 117.4320 60.8491 37.8023 178.5220 18 G 3.6446 7.9881 106.4980 47.9581 0.0000 175.5970 19 D 4.4352 8.2500 120.3391 56.7468 40.9048 177.9797 20 A 4.2901 7.8141 118.7518 51.5754 18.8783 177.1841 21 K 3.8532 8.0145 115.5496 57.4245 30.2199 176.5919 22 L 4.1908 7.6966 115.6602 56.1798 41.8197 176.9614 *24 L 4.2474 7.6012 119.1128 56.0123 43.4926 176.3651 25 C 3.0602 7.7773 119.8968 60.9969 27.4285 175.0804 26 S 4.7418 8.1170 122.2041 58.2217 62.8875 174.0865 27 S 4.2531 7.4312 115.9543 59.0202 63.6745 175.0167 28 G 4.0429 10.1176 107.2098 45.9081 0.0000 172.0145 29 N 4.9655 8.5936 113.9905 51.8387 40.9938 173.3156 30 L 5.5797 8.6683 122.3653 53.5725 46.1076 175.2843 31 S 5.5836 9.3017 118.9597 56.6320 67.2016 172.7511 32 W 5.7503 9.6028 131.5227 55.7301 33.7843 174.0670 33 R 4.1252 9.3637 129.5430 56.5872 30.4243 176.4756 34 I 4.0612 8.4935 127.4139 59.7348 39.4587 176.8638 35 G 3.8517 7.8857 118.5641 46.9301 0.0000 173.6069 36 E 4.2744 8.7377 125.9750 56.3401 30.0151 174.6624 37 E 5.2245 7.7960 117.7618 54.3449 33.6334 174.6214 38 A 5.0011 8.7491 121.6008 50.2774 23.2121 175.2820 39 L 4.5326 8.5358 121.4595 54.1743 43.2419 176.1650 40 I 5.2924 8.6281 124.5643 58.9713 41.3187 175.1716 41 S 4.6507 9.3192 121.5412 58.8230 64.0212 174.2669 42 G 4.1291 9.1718 110.4514 45.9025 0.0000 173.0304 43 T 4.1570 8.4013 117.3370 63.2642 67.7489 174.9765 44 G 4.1582 9.0160 116.5040 45.6701 0.0000 174.0391 45 S 4.3259 7.8504 114.5963 58.1959 63.7637 173.7774 46 W 5.0195 8.6387 121.6007 54.5769 28.7795 177.4560 47 V 3.7578 8.5448 124.6937 65.3336 31.3518 175.7048 48 P 4.5016 0.0000 0.0000 64.8159 31.3434 177.3196 49 T 4.5097 7.6994 106.7210 60.7699 69.0865 173.8228 50 L 3.9645 8.1248 122.9839 56.6047 42.9730 174.9869 51 A 3.7775 9.1922 126.3657 51.9440 17.6301 178.4879 52 K 3.9390 8.0395 125.5758 59.7663 32.7966 177.2003 53 E 4.2233 8.1684 116.0004 58.1160 29.8308 176.8841 54 K 4.7418 9.1542 120.5168 56.1505 33.0556 175.8386 55 V 4.6240 7.9429 119.5724 61.1995 33.6884 174.4959 56 S 4.6163 9.3129 123.5312 57.3634 64.1995 172.5131 57 I 4.7677 8.0983 126.5874 60.0087 38.9930 174.4486 58 C 5.2209 8.8238 124.4507 57.4302 32.2288 173.1049 59 N 4.5109 8.6325 122.1478 53.9646 38.9835 175.5814 60 I 3.6999 8.8304 128.1795 64.6668 37.1126 177.7109 61 A 4.1119 8.2923 123.5944 54.5008 18.4711 178.1736 62 S 4.4041 8.4678 108.9950 57.9343 64.2061 175.6762 63 G 3.9227 8.5604 108.4583 45.1756 0.0000 173.0104 64 T 4.3926 7.5882 111.1353 59.1897 70.1464 172.9220 65 P 4.8061 0.0000 0.0000 63.2365 31.8245 176.1075 66 T 4.4781 8.6278 109.4039 61.5131 69.7915 174.3303 67 N 4.7516 8.1320 118.4273 52.5093 37.5819 175.3041 68 G 3.8151 8.3719 105.1206 45.9386 0.0000 173.3361 69 V 4.2900 7.3701 119.3433 60.3695 33.2446 175.2151 70 K 4.2181 8.6388 130.4400 55.8606 32.9428 174.4987 71 P 4.7100 0.0000 0.0000 61.8690 32.5195 176.9155 72 S 4.4508 8.5402 109.9346 57.8798 61.9687 176.1981 *74 E 4.2002 8.8241 117.4525 55.2535 31.1011 177.3831 75 S 4.0617 7.7514 115.3858 61.4760 62.7233 176.4502 76 T 3.8197 7.7297 116.9255 64.8641 67.1535 175.8151 77 F 4.4686 7.7777 116.1017 59.7513 38.3654 177.2142 78 H 4.1703 7.4509 116.2760 59.0342 28.5520 177.7764 79 L 4.1861 8.3146 120.8116 57.4729 41.1996 179.6936 80 G 3.7321 8.0043 105.4931 48.0659 0.0000 175.9331 81 V 3.6988 8.4093 121.3174 65.5505 31.3135 178.1717 82 L 4.0934 7.9042 118.1369 57.7808 41.5347 179.3009 83 R 4.0809 8.1459 117.6844 58.7054 30.0695 178.1569 84 E 4.5525 7.8790 115.6776 56.2822 31.2717 176.5496 85 R 4.5127 7.7542 119.7072 53.3107 29.9630 174.4070 86 P 4.3624 0.0000 0.0000 64.9753 31.7454 177.8651 87 D 4.4640 8.0350 116.4259 54.9709 39.8287 176.3457 88 V 4.2882 7.4177 120.3454 61.9772 32.6400 174.8704 89 N 5.0730 9.3074 123.2169 53.1864 42.0735 174.4824 90 V 5.0058 7.7755 117.8374 60.8770 35.0293 174.5328 91 V 4.9468 8.7571 126.4081 61.0277 34.7785 173.6441 92 L 5.2337 9.0244 129.7030 53.6276 44.8317 174.2438 93 H 5.5336 9.5825 127.6452 55.3807 31.5801 173.8612 94 F 5.2644 8.9447 121.4372 56.1699 41.4657 173.6413 95 Q 5.1197 8.7137 113.5113 56.1451 29.6870 174.3096 96 S 4.4967 8.7791 118.9043 56.5201 64.8301 174.5345 97 E 3.4236 8.2444 116.8416 61.5652 29.6754 178.2399 98 Y 4.0567 8.8435 118.0970 60.6795 38.5073 177.8371 99 A 4.0679 8.5325 122.1721 55.2774 18.4859 179.7987 100 T 3.7220 7.9125 114.2558 66.2497 68.2484 176.8062 101 A 3.9489 7.4805 121.9841 55.4389 18.4727 179.4257 102 I 3.8578 7.5435 116.7539 64.5830 37.4494 178.2595 103 S 4.3892 8.2374 116.3077 61.0612 63.6125 174.2218 104 C 4.7579 7.4652 120.1129 58.0557 25.9070 172.7827 *106 K 4.2998 7.8787 123.9860 55.5213 33.7867 175.5655 107 N 4.8666 7.7020 116.5378 50.8967 38.2068 174.0113 108 K 4.2386 8.1041 121.3737 54.8811 33.1553 175.6209 109 P 4.3333 0.0000 0.0000 63.4513 31.4657 176.2755 110 T 4.4081 8.1960 108.3584 61.6205 69.9550 173.9805 111 N 4.8818 7.6719 120.4965 52.5514 41.2395 173.4120 112 F 4.6727 8.9824 123.1280 57.5193 40.3066 176.8033 113 N 4.7505 8.2957 120.6690 52.2176 36.5424 175.2353 114 V 4.1721 7.9073 120.5856 61.7404 33.5091 176.4650 115 T 4.6642 7.3692 108.6035 58.4708 72.0118 174.2849 116 A 3.9282 8.4189 122.4944 55.3153 18.0890 179.5680 117 E 3.6934 7.5669 116.3980 59.4535 29.2367 179.4902 118 I 3.6830 7.3590 120.2712 63.7288 37.0390 176.5241 119 P 4.1834 0.0000 0.0000 66.1124 31.0668 177.8828 120 C 4.1435 7.5861 115.3183 62.7551 28.1672 174.9933 121 H 4.6626 7.9567 115.5141 57.6022 29.2421 176.9696 122 V 3.6740 7.5917 118.8542 66.1187 31.5695 175.4469 123 G 4.0668 7.8434 107.2107 43.7948 0.0000 174.6925 124 S 4.7595 8.4989 116.2114 58.7808 63.4201 173.9472 125 E 4.3699 7.7673 121.7309 55.3652 31.7863 174.0201 126 I 4.1725 8.1217 128.0412 58.7414 38.4093 173.9066 127 P 4.3037 0.0000 0.0000 62.5343 32.6242 175.8193 128 V 4.6655 8.3137 123.4103 61.3463 33.2686 174.6377 129 I 4.3380 8.4472 129.7571 59.5869 38.8177 174.4962 130 P 4.7992 0.0000 0.0000 62.1904 32.4854 174.9177 131 Y 4.1254 8.1231 122.1343 57.9315 38.9849 174.5161 132 Y 4.5369 7.3618 122.8154 55.3599 42.3095 175.0663 133 R 3.7673 8.3606 122.1971 55.8733 30.5904 174.2315 134 P 5.0561 0.0000 0.0000 64.0073 31.6437 176.7380 135 G 4.0112 9.2005 111.1664 45.6441 0.0000 174.3532 136 S 4.3837 7.8262 115.3802 57.4114 65.1497 173.3248 137 P 4.2253 0.0000 0.0000 65.9196 31.1774 178.8586 138 E 3.6175 7.9579 116.9064 58.9280 29.1810 179.0802 139 L 3.7502 7.6323 119.6697 58.0278 42.2857 178.4464 140 A 4.1218 7.8224 120.7732 55.4318 18.2553 179.6144 141 K 3.8029 8.1210 116.3638 59.6312 32.0941 179.3523 142 A 3.9570 7.6422 120.5973 55.1610 18.0954 179.9294 143 V 3.3184 7.6355 115.6236 65.9701 31.6518 178.0091 144 V 3.7304 7.5320 116.6312 65.9627 31.4392 177.0873 145 E 4.1079 7.9395 117.3033 59.1738 28.6531 180.4512 146 A 4.1962 8.0881 121.0775 51.9904 18.3177 179.1445 *148 L 4.3476 7.9042 124.6189 56.1184 43.8084 177.4200 149 K 4.6391 7.9628 113.7451 55.9116 33.3989 175.1556 150 H 4.9525 7.7109 111.9261 54.5809 32.8119 173.0199 151 N 4.9785 8.6801 117.1042 53.5502 40.5631 174.6454 152 S 5.2303 7.8706 113.8857 56.8603 67.0247 173.6069 153 V 4.5912 9.1124 122.6757 61.3823 35.6119 172.9362 154 L 4.7919 8.9137 129.3923 53.5636 44.1200 175.0959 155 L 4.7333 8.8253 127.8217 53.3839 42.8883 176.2501 156 T 4.2038 8.6741 121.9147 64.7877 69.5200 174.6042 157 N 4.2000 8.8149 121.3888 54.3600 36.5729 174.1310 158 H 4.7534 7.5855 114.7727 54.9532 34.1366 175.1967 159 G 4.0023 7.9406 110.9359 45.6481 0.0000 172.4693 160 Q 4.7673 7.9936 121.7704 54.7227 32.4023 173.8726 161 V 5.1786 8.7876 119.4439 61.3736 35.2893 174.4377 162 V 5.1804 9.1134 125.1490 61.5768 35.3223 173.7516 163 C 5.3922 8.4792 122.7263 58.3200 31.4382 173.2947 164 G 4.1528 8.1575 105.9043 45.8614 0.0000 174.8409 165 K 4.3528 9.3309 120.3976 59.0247 33.2282 176.1775 166 D 4.3386 7.3341 117.0557 51.4893 41.8354 175.4467 167 F 4.3482 8.5565 116.6462 60.9786 38.7831 177.3416 168 D 4.4769 8.2837 118.1275 57.6545 40.5993 178.6327 169 Q 4.0088 8.6402 119.9427 59.0802 28.9974 178.4796 170 V 3.5523 7.7436 119.0996 66.0435 31.5779 177.3069 171 Y 3.9325 8.5540 119.7354 60.6861 38.6708 177.7661 172 E 3.5929 8.4855 120.2387 59.0925 29.8007 178.5465 173 R 3.9557 8.2314 118.7385 59.5203 30.1351 178.2057 174 A 3.9800 8.1152 120.7447 55.5608 18.0184 179.7228 175 T 3.5267 7.2947 112.9505 66.6784 68.4610 176.5558 176 F 4.7420 7.8871 118.5981 59.8614 39.3765 177.3852 177 F 4.4491 8.4460 120.7270 61.3836 39.1529 178.4619 178 E 3.9266 8.4480 116.8963 56.5120 29.5895 178.3479 *180 A 4.3152 7.9715 121.1295 51.9984 20.7843 179.7103 181 C 4.3239 8.2271 113.3923 62.9889 28.0768 176.3554 182 R 3.1348 8.4715 120.7447 59.0487 29.5492 178.5875 183 I 3.5561 7.5496 119.0358 64.4202 36.9309 178.0703 184 I 3.1394 7.4441 120.4454 64.3214 36.9139 178.7631 185 V 3.6513 7.6982 118.7428 66.2624 31.2617 178.2092 186 Q 4.0950 7.9192 116.7022 58.6573 28.5794 178.4492 187 S 4.3490 8.0420 114.4206 59.3149 63.0465 175.1303 188 G 3.7800 7.8707 110.4803 46.0928 0.0000 174.7822 189 G 4.0849 8.1261 108.7923 45.0823 0.0000 174.5658 190 D 4.6749 7.7667 120.4038 52.8913 39.8462 174.1163 191 Y 4.8920 7.0163 118.5969 54.8637 41.4844 175.7658 192 S 4.7293 8.4669 114.6019 56.7221 65.5371 173.1628 193 V 4.7786 7.7744 113.2012 59.0907 35.2434 175.4891 194 L 4.4477 8.7156 122.9109 54.9440 42.2026 177.7946 195 T 4.0962 9.5012 113.3793 60.9967 70.0207 173.6430 196 P 4.2264 0.0000 0.0000 65.8962 31.2986 178.3657 197 E 3.9197 8.1800 117.3220 59.6020 29.3297 178.6855 198 E 3.9948 8.1180 117.4503 59.2121 29.7445 179.1041 199 I 3.8682 7.9027 113.3854 64.0962 37.4790 178.2555 200 E 3.9964 8.0702 119.4337 58.9906 29.3093 178.5255 201 D 4.4944 8.0261 117.3069 56.4201 41.5149 178.3283 202 L 4.4099 7.5232 120.9017 53.8360 41.5698 176.7859 203 E 4.2235 7.8920 123.4605 56.8910 30.5844 175.4337 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 I 8.01 4.09 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.86 0.00 0.00 3 T 8.23 4.15 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 1.21 0.00 0.00 4 D 8.71 4.39 0.00 2.72 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 5 E 8.16 3.92 0.00 2.01 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 0.00 2.39 2.41 0.00 6 H 7.87 4.57 0.00 3.45 3.28 0.00 5.69 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 7 I 7.63 3.98 2.03 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 1.42 0.66 0.98 0.00 0.00 8 E 8.97 3.96 0.00 2.26 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 2.30 2.32 0.00 9 L 8.18 3.82 0.00 1.96 2.01 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.45 3.88 0.00 3.62 3.37 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 11 L 8.26 3.78 0.00 1.79 1.52 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.81 3.76 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 13 Q 7.61 3.17 0.00 1.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 14 A 7.52 3.80 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 15 H 8.25 4.48 0.00 3.25 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.77 3.83 0.00 1.81 2.01 0.00 2.21 0.00 0.00 2.71 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.32 0.00 17 Y 7.60 4.64 0.00 3.20 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 18 G 7.99 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.25 4.44 0.00 2.79 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 20 A 7.81 4.29 1.45 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 0.00 0.00 0.00 21 K 8.01 3.85 0.00 1.95 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 22 L 7.70 4.19 0.00 1.68 1.55 0.43 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *24 L 7.60 4.25 0.00 1.61 1.49 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.78 3.06 0.00 2.48 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 26 S 8.12 4.74 0.00 4.15 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 27 S 7.43 4.25 0.00 3.97 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 28 G 10.12 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 29 N 8.59 4.97 0.00 2.76 2.95 0.00 0.00 6.78 6.55 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 30 L 8.67 5.58 0.00 1.83 1.59 1.27 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 31 S 9.30 5.58 0.00 4.01 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 32 W 9.60 5.75 0.00 3.74 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 9.36 4.13 0.00 1.84 2.07 0.00 3.48 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 34 I 8.49 4.06 1.43 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 -0.25 0.45 0.00 0.00 35 G 7.89 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 0.00 0.00 0.00 36 E 8.74 4.27 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 37 E 7.80 5.22 0.00 1.78 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 2.15 2.15 0.00 38 A 8.75 5.00 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 39 L 8.54 4.53 0.00 0.91 0.62 0.86 0.51 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 40 I 8.63 5.29 1.86 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 1.28 0.69 0.91 0.00 0.00 41 S 9.32 4.65 0.00 4.06 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 42 G 9.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.40 4.16 4.50 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 1.24 0.00 0.00 44 G 9.02 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 45 S 7.85 4.33 0.00 4.16 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 8.64 5.02 0.00 3.37 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.54 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 116 A 8.42 3.93 1.28 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 0.00 0.00 117 E 7.57 3.69 0.00 1.61 1.12 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 1.47 1.93 0.00 118 I 7.36 3.68 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.08 0.95 0.00 0.00 119 P 0.00 4.18 0.00 2.18 2.17 0.00 3.87 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 2.11 2.03 0.00 120 C 7.59 4.14 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 7.96 4.66 0.00 3.33 3.50 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.59 3.67 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 0.33 0.00 0.00 1.07 0.00 0.00 123 G 7.84 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 0.00 124 S 8.50 4.76 0.00 3.99 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 0.00 125 E 7.77 4.37 0.00 1.96 1.86 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 2.21 2.30 0.00 126 I 8.12 4.17 1.44 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.01 0.52 0.00 0.00 127 P 0.00 4.30 0.00 1.98 1.86 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 128 V 8.31 4.67 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 0.84 0.00 0.00 1.07 0.00 0.00 129 I 8.45 4.34 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.34 1.02 0.00 0.00 130 P 0.00 4.80 0.00 1.38 1.85 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 131 Y 8.12 4.13 0.00 2.90 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 0.00 132 Y 7.36 4.54 0.00 2.74 2.56 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 0.00 133 R 8.36 3.77 0.00 1.87 1.82 0.00 3.25 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 134 P 0.00 5.06 0.00 2.11 2.10 0.00 3.85 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 135 G 9.20 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 0.00 136 S 7.83 4.38 0.00 4.16 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 0.00 137 P 0.00 4.23 0.00 2.12 2.11 0.00 3.57 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 2.09 2.16 0.00 138 E 7.96 3.62 0.00 1.48 1.12 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 2.26 2.26 0.00 139 L 7.63 3.75 0.00 1.68 1.82 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.82 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.12 3.80 0.00 1.79 1.78 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 142 A 7.64 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.64 3.32 1.70 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 0.13 0.00 0.00 0.48 0.00 0.00 144 V 7.53 3.73 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 0.91 0.00 0.00 1.01 0.00 0.00 145 E 7.94 4.11 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 146 A 8.09 4.20 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 *148 L 7.90 4.35 0.00 1.65 1.75 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.96 4.64 0.00 1.60 1.60 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.39 7.81 150 H 7.71 4.95 0.00 3.13 3.11 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.68 4.98 0.00 2.63 2.85 0.00 0.00 6.65 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 0.00 152 S 7.87 5.23 0.00 3.39 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 9.11 4.59 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 0.90 0.00 0.00 0.93 0.00 0.00 154 L 8.91 4.79 0.00 1.94 1.55 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.83 4.73 0.00 1.68 1.62 0.76 0.34 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 0.00 156 T 8.67 4.20 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 1.27 0.00 0.00 157 N 8.81 4.20 0.00 2.91 2.77 0.00 0.00 6.69 7.78 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 0.00 158 H 7.59 4.75 0.00 3.25 3.25 0.00 6.03 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 7.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 7.99 4.77 0.00 1.62 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 161 V 8.79 5.18 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 1.10 0.00 0.00 0.75 0.00 0.00 162 V 9.11 5.18 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 0.97 0.00 0.00 1.22 0.00 0.00 163 C 8.48 5.39 0.00 3.07 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 0.00 164 G 8.16 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 0.00 165 K 9.33 4.35 0.00 1.92 1.98 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.39 7.81 166 D 7.33 4.34 0.00 2.83 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 0.00 167 F 8.56 4.35 0.00 3.05 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 0.00 168 D 8.28 4.48 0.00 2.88 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 0.00 169 Q 8.64 4.01 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 170 V 7.74 3.55 2.30 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 0.83 0.00 0.00 0.95 0.00 0.00 171 Y 8.55 3.93 0.00 3.48 3.19 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 0.00 172 E 8.49 3.59 0.00 2.16 2.16 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 2.35 2.21 0.00 173 R 8.23 3.96 0.00 2.18 2.09 0.00 3.20 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 174 A 8.12 3.98 0.40 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 0.00 175 T 7.29 3.53 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 176 F 7.89 4.74 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 0.00 177 F 8.45 4.45 0.00 3.34 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.45 3.93 0.00 2.21 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 0.00 2.36 2.45 0.00 *180 A 7.97 4.32 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 0.00 0.00 181 C 8.23 4.32 0.00 3.32 3.25 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 0.00 182 R 8.47 3.13 0.00 1.62 1.73 0.00 2.91 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 183 I 7.55 3.56 1.93 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 1.61 0.72 0.82 0.00 0.00 184 I 7.44 3.14 1.84 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 1.52 0.72 0.66 0.00 0.00 185 V 7.70 3.65 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.14 0.00 0.00 186 Q 7.92 4.10 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.14 0.00 187 S 8.04 4.35 0.00 4.11 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 0.00 188 G 7.87 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 0.00 189 G 8.13 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 0.00 190 D 7.77 4.67 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Y 7.02 4.89 0.00 3.09 2.88 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 0.00 192 S 8.47 4.73 0.00 3.96 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 0.00 193 V 7.77 4.78 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 0.97 0.00 0.00 0.94 0.00 0.00 194 L 8.72 4.45 0.00 1.51 1.60 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 195 T 9.50 4.10 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 1.26 0.00 0.00 196 P 0.00 4.23 0.00 2.17 2.16 0.00 3.60 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 2.11 2.16 0.00 197 E 8.18 3.92 0.00 2.02 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 2.37 2.41 0.00 198 E 8.12 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 2.34 2.31 0.00 199 I 7.90 3.87 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.99 0.00 0.00 200 E 8.07 4.00 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 201 D 8.03 4.49 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 0.00 202 L 7.52 4.41 0.00 1.91 1.65 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 203 E 7.89 4.22 0.00 1.87 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 0.00 2.20 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.