NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.6222 8.3349 115.5503 58.0600 63.3460 173.3534 4 H 4.1312 8.7163 124.8522 56.1141 29.4438 172.3804 5 E 4.4949 9.5995 123.3234 55.1012 30.2871 175.0801 6 L 4.5325 8.4497 125.2055 53.7401 43.0245 176.7781 7 D 5.0176 8.6142 123.4890 54.4710 42.5141 174.7825 8 Y 5.2945 7.7371 117.7276 56.3509 41.0101 173.5717 9 R 4.5980 9.1572 116.7468 54.4920 32.9245 174.2835 10 I 4.7118 8.6362 123.7586 60.5512 38.1309 175.1915 11 L 4.3947 9.0334 128.5340 54.8322 43.4941 177.6744 12 G 4.2460 9.0544 107.9642 45.3447 0.0000 171.5207 13 E 4.3077 7.8911 117.4185 57.5074 30.8026 176.4906 14 S 4.4210 8.1184 117.1536 59.5446 63.7828 174.4098 *16 Q 4.3737 7.8656 117.7084 56.1416 29.7961 174.4609 17 T 4.8642 8.2065 113.6937 60.2693 71.5037 172.6590 18 V 4.6425 8.3098 126.2723 59.9810 33.8213 173.9776 19 E 4.6147 9.2645 127.2476 54.6577 31.4275 174.3585 20 I 4.6973 8.7681 128.3685 59.7678 39.5146 174.0878 21 E 4.9719 8.9856 128.0645 54.4308 31.3893 174.9315 22 L 5.0559 8.8564 126.7036 53.0818 45.1958 176.2943 23 D 4.9572 9.2930 123.7719 52.5570 42.7471 174.1392 24 P 4.4692 0.0000 0.0000 64.5980 31.5879 177.7486 25 G 4.0308 9.3782 110.0488 45.8849 0.0000 173.8733 26 E 4.4888 8.1605 119.9190 56.6613 30.7341 176.0647 27 T 5.3193 8.7469 118.0073 61.8182 72.9040 173.2414 28 V 4.7128 9.0568 124.1256 59.8410 35.3301 174.2473 29 I 5.1300 8.3899 115.4163 59.5822 40.1583 174.1886 30 A 4.7032 8.4156 124.4241 50.8580 22.8615 175.7771 31 E 3.9171 8.6974 120.3510 55.9807 30.1889 177.9508 32 A 4.3556 8.8468 129.3275 55.2528 18.5898 178.6361 33 G 3.6659 8.8806 103.7453 47.3691 0.0000 174.3670 34 A 4.4025 7.8493 124.9443 50.7832 17.5892 177.0892 *36 N 4.5909 8.2201 117.7391 52.4077 41.1938 174.2246 37 Y 4.4288 6.1537 114.0890 56.1717 40.1744 173.0829 *39 T 4.3211 8.2576 109.1708 61.6867 69.9728 174.4965 40 G 3.6937 8.7339 109.3318 48.4136 0.0000 174.1115 41 D 4.7418 8.5759 117.6412 53.7902 41.4536 176.0467 42 I 4.4960 7.4027 120.5688 61.8100 37.5731 175.5902 43 R 4.8081 9.4280 125.4756 54.3208 34.5354 174.0413 44 F 5.9627 7.5799 113.3955 55.5195 41.0991 173.3909 45 T 4.8194 8.4199 109.0808 59.9207 72.8521 171.7799 46 A 4.9372 8.2812 122.3933 50.0349 21.5885 176.4243 47 R 3.9406 8.4763 122.6822 55.0275 32.2869 176.0722 *49 G 3.8469 8.0045 107.8266 45.3906 0.0000 173.1959 *72 S 4.3203 7.6788 111.3213 57.6545 65.4364 174.6799 73 V 4.1216 7.6430 121.4644 61.7747 31.7410 175.0126 74 F 4.4535 8.8824 130.4381 60.5659 40.1932 175.6936 *76 T 4.2237 7.7523 114.6260 63.7334 70.3121 172.3827 77 H 5.1507 9.1751 122.9316 54.3172 31.0127 173.6194 78 F 5.2603 9.6087 123.3085 56.3495 40.9133 175.1604 79 T 5.0475 9.5591 120.9743 61.7043 72.4869 173.2268 80 N 4.9412 8.9430 124.8540 52.6280 39.1884 174.8702 81 E 4.8539 8.5169 129.4706 55.1360 29.6120 176.6317 82 G 3.7957 7.8185 111.6440 44.6230 0.0000 172.8108 83 Q 4.0751 8.5596 122.3519 56.7589 29.3625 179.5190 84 G 4.2737 7.9301 112.2830 45.9052 0.0000 174.3375 85 K 4.1809 8.9312 125.0812 57.0595 32.5501 176.3360 86 Q 4.8761 9.0059 123.0998 54.4507 33.0163 174.1738 87 H 5.4536 9.2519 117.3407 54.3374 33.0840 173.3704 88 V 4.3490 8.6122 120.7120 60.9587 34.7692 173.8829 89 A 4.6519 7.3657 128.1064 49.8348 22.1296 175.1148 90 F 5.1507 8.4259 117.8944 55.8180 43.1897 174.1093 91 A 4.9069 8.7849 122.0673 50.4624 22.5433 176.4737 92 A 3.8986 8.3173 123.9081 51.5719 19.0341 175.7905 93 P 4.7314 0.0000 0.0000 62.5770 31.6188 175.2765 94 Y 5.0095 6.5815 113.8812 55.2325 41.1750 172.8104 95 P 4.3991 0.0000 0.0000 61.8121 32.1497 176.8817 96 G 4.4731 7.7293 108.6037 45.9752 0.0000 171.0742 97 S 4.8428 7.6339 112.7722 56.4447 66.7620 172.8429 98 V 4.8043 8.9959 120.7157 61.1226 33.3041 174.7204 99 V 4.5131 8.5903 127.7014 60.9401 33.7892 174.3559 100 A 4.0136 8.6166 129.8673 51.4824 19.5439 176.6799 101 V 4.1184 8.4931 122.3471 60.7645 34.7895 174.0689 102 D 4.6997 8.5741 128.8065 53.8254 41.7312 176.8657 103 L 4.0085 8.7361 126.9774 57.7855 42.1668 179.5797 104 D 4.4664 8.5657 119.3433 57.3850 40.8355 177.9202 105 D 4.5158 7.8264 116.7126 55.9904 40.6049 176.7400 106 V 4.5168 7.0596 113.4493 61.2301 32.7525 176.0211 107 G 3.7598 9.4789 104.5593 46.6350 0.0000 175.4466 108 G 4.0914 8.8990 106.3768 45.1019 0.0000 173.6060 109 R 4.9072 7.5170 117.9950 54.2053 33.1512 174.2269 110 L 4.6096 8.9265 127.2448 53.2883 45.9003 174.7026 111 F 5.0310 8.4404 124.9604 56.2344 40.7386 174.6843 112 C 5.1076 9.0742 117.8973 56.0588 33.5362 173.2730 113 Q 4.2048 9.0287 123.1955 56.3746 29.3764 177.4203 114 K 3.9660 9.1899 127.6783 59.6456 32.4863 178.7828 115 D 4.5225 8.1388 117.2095 57.0976 41.1097 177.4216 116 S 4.4662 8.0752 114.4032 59.6614 63.3399 173.8968 117 F 4.4813 7.9063 123.3232 57.9587 39.5912 173.0224 118 L 4.3079 7.1384 128.6472 55.5295 43.4450 175.7518 119 C 4.2004 6.4605 109.9738 57.7462 32.8410 171.2397 120 A 4.9972 8.5090 118.1313 50.5234 22.8001 175.8526 121 A 4.3145 8.7543 122.4748 52.0900 19.8407 176.9945 122 Y 4.4095 8.3018 122.7041 59.4993 39.2487 177.3384 123 G 3.7480 8.3358 114.3943 45.3016 0.0000 173.8877 124 T 4.1382 7.4608 116.9005 63.6497 69.3766 174.3278 125 R 4.4574 9.2984 125.8644 54.8093 31.8449 175.3233 126 V 4.7274 8.5115 124.7077 61.0626 33.2905 174.9395 127 G 4.3067 9.2371 114.3524 44.2809 0.0000 171.3140 128 I 4.4310 8.3811 121.6844 61.0808 37.1581 175.9170 129 A 4.6835 9.0369 129.1915 52.5722 20.4421 176.8312 130 F 4.6500 7.4841 113.9733 58.0472 42.6656 172.8070 131 T 4.9043 7.7887 121.6529 61.8310 72.5838 173.6796 132 K 4.0405 8.2851 122.9614 55.6398 35.6579 174.5698 133 R 4.6730 8.6937 127.8467 56.3415 30.9202 176.5279 134 L 4.4834 8.7492 123.6818 54.3982 45.4628 177.8372 135 G 3.8232 8.8738 114.1592 44.9517 0.0000 172.5683 136 A 4.6172 8.4441 119.4704 52.0330 20.9517 179.0617 137 G 3.9705 7.6162 107.6129 44.9170 0.0000 174.2926 138 F 3.6910 9.0041 120.4120 61.2877 39.5386 177.5569 139 F 4.8436 8.1597 116.5249 57.8530 39.0708 177.2170 140 G 4.0133 7.3920 109.8143 46.5081 0.0000 175.1939 141 G 3.3601 7.9067 109.8088 46.9869 0.0000 175.1034 142 E 3.8859 9.1231 121.0476 57.3886 30.4072 178.4602 143 G 4.1271 8.1565 101.7944 44.9463 0.0000 172.0707 144 F 4.5366 9.0782 122.4277 57.6156 40.6522 174.2472 145 I 4.8392 7.8023 126.3982 59.3450 40.3910 173.8660 146 L 4.9089 8.8782 129.7218 53.5373 44.1029 175.3864 147 Q 5.0614 9.1007 125.3014 54.2982 32.0106 174.3033 148 K 4.6261 9.2497 122.5592 54.5682 35.2731 174.6145 149 L 5.0742 8.9756 127.8837 52.9981 44.2437 175.3004 150 E 4.9196 10.5464 123.8408 53.8189 33.0808 176.9410 151 G 3.6699 7.1134 110.1168 45.7097 0.0000 173.4240 152 D 4.9338 8.3347 125.7082 53.1000 41.1089 176.0130 153 G 4.2423 7.7047 107.8717 44.9194 0.0000 172.7177 154 L 4.7304 8.3094 119.2294 54.3562 43.0425 176.8171 155 V 4.5311 8.0486 121.6598 59.7352 35.0983 174.2773 156 F 4.9351 8.7776 121.5684 55.7805 41.6225 174.8213 157 V 4.8222 8.5182 116.5743 59.6748 35.2468 173.9618 158 H 5.2759 9.2085 122.7880 54.3664 32.1645 173.0850 159 A 4.7879 8.7049 127.6724 49.7358 21.3986 176.1297 160 G 4.2602 8.5321 110.6308 45.8638 0.0000 172.8696 161 G 3.9562 9.2942 113.5771 47.0732 0.0000 174.9395 162 T 4.5677 9.2402 119.7814 59.8783 69.3250 172.3105 163 L 4.6851 8.4942 129.8034 55.0466 43.2978 175.9078 164 I 4.5084 9.1162 126.8521 59.6409 39.9486 174.4252 165 R 4.7345 8.5750 127.7589 55.1707 31.6226 175.5030 166 R 4.5490 8.4960 124.8821 54.9044 33.9858 173.0965 167 Q 4.7358 8.6244 127.3101 54.7470 30.7097 174.2183 168 L 4.5465 9.0279 126.8461 53.2043 43.7361 175.8453 169 N 5.1705 8.4340 122.3868 51.1934 37.7295 174.6927 170 G 3.8633 8.1913 111.2517 47.0135 0.0000 170.1433 171 E 4.8208 7.9149 116.2802 54.5043 34.4774 176.1848 172 T 4.9884 8.3811 116.9178 61.8469 70.8031 173.7123 173 L 4.7337 8.7569 128.5604 53.1933 45.0789 174.9756 174 R 5.0748 8.5843 124.6299 54.6877 31.9043 175.8646 175 V 4.5391 8.7332 117.3479 58.8780 35.8130 174.9816 176 D 4.7209 8.6632 122.6995 54.8739 41.4019 177.0374 177 T 3.6891 8.2140 123.5503 65.9451 68.5652 176.7277 178 G 4.4229 8.2465 107.3661 48.0096 0.0000 174.1123 179 C 4.2924 8.5452 117.5570 61.2499 28.5055 173.0614 180 L 4.3675 7.5415 121.4773 55.3661 41.8518 176.2360 181 V 4.2114 9.1876 127.2184 64.8719 32.8337 175.3891 182 A 5.0474 8.0901 119.0149 51.7996 22.4022 174.6671 183 F 5.8973 8.5433 113.4355 56.3300 41.7694 174.0321 184 T 4.7939 8.9974 111.4660 60.4524 70.9869 173.7820 185 D 4.8537 8.8099 121.4931 56.1496 41.3142 177.6595 186 G 4.2664 9.1979 109.1086 46.2065 0.0000 172.5649 187 I 4.8663 7.1619 120.0705 59.6396 39.0077 174.8669 188 D 4.9462 9.5332 127.9897 52.5745 43.3993 175.0153 189 Y 5.2003 7.4964 118.9956 55.3816 41.3674 174.3283 190 D 4.5925 8.7615 119.8187 52.9893 45.1561 173.7928 191 V 4.7041 8.4722 125.7778 61.6046 33.0304 174.7459 192 Q 4.6982 9.2101 126.0996 54.0210 33.4318 173.6807 193 L 5.0032 8.4979 123.1925 54.0498 43.3208 176.1263 194 A 4.5203 9.2925 126.2758 51.9378 21.0788 175.0615 *205 E 4.2933 7.9734 113.6229 55.4966 30.6771 175.9253 206 G 3.9058 8.5092 108.7299 46.1509 0.0000 172.2141 207 L 4.7372 8.3846 121.6984 52.9320 45.1251 175.1672 208 L 4.9794 8.5746 126.1115 53.7887 43.2630 175.2173 209 L 5.1079 9.0319 125.0271 53.1584 44.6507 175.6889 210 T 4.9021 8.9048 120.4790 62.1971 70.9487 173.4155 211 T 4.6310 8.7959 124.1139 62.0842 70.6771 173.8217 212 L 5.2843 9.0512 126.1194 52.8848 45.1275 175.7554 213 K 5.3201 8.9423 121.3797 53.8890 36.4916 174.5903 214 G 4.0128 7.9759 109.3287 44.4511 0.0000 173.4532 215 S 4.9448 9.8483 119.8371 55.6980 66.9437 174.6644 216 G 4.2064 7.5707 112.5004 45.7153 0.0000 170.4704 217 T 4.8690 8.0896 116.4537 61.8284 71.0452 174.2455 218 V 5.0479 8.9172 125.3118 60.9472 34.7503 174.0671 219 W 5.3034 10.2203 127.3669 55.0546 31.9182 174.8457 220 L 5.6229 9.2975 123.4986 53.0003 45.8075 175.3442 221 Q 5.2015 8.9947 118.6851 54.7033 30.8165 175.6664 222 S 4.3263 8.7285 116.0063 60.1404 64.2250 174.1142 223 L 4.8709 8.0706 122.8058 51.8782 41.9561 173.9488 224 P 4.5576 0.0000 0.0000 61.7624 32.6234 178.1318 225 F 3.6400 8.4685 122.0481 61.2648 38.9591 177.5571 226 S 2.0000 7.5387 113.3609 60.5561 62.3806 176.5267 227 R 3.5863 7.3549 121.6841 58.8123 30.0377 177.5911 228 L 3.7778 7.5769 119.8242 58.3768 41.9756 178.9167 229 A 3.8519 7.6010 120.7562 54.7827 18.2379 179.3848 230 G 3.7504 7.4651 104.3058 48.4799 0.0000 176.0407 231 R 3.9656 8.1608 121.2597 58.6284 29.8557 179.3026 232 I 3.6856 7.5920 118.6881 64.3588 37.4377 177.3539 233 Y 4.2414 8.3953 120.7704 60.9626 38.3806 177.8115 234 D 4.2447 8.0343 117.8532 57.6597 41.1172 178.8677 235 A 4.2220 7.8612 119.4814 53.5426 19.5267 177.7466 236 T 4.2839 7.2563 107.7750 59.1452 68.1704 174.1197 237 F 4.3160 8.2284 130.6017 59.2417 39.9973 174.1825 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 3 S 8.33 4.62 0.00 3.95 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 4 H 8.72 4.13 0.00 3.14 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.60 4.49 0.00 1.89 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 2.29 2.36 0.00 6 L 8.45 4.53 0.00 1.84 1.81 1.05 1.25 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 7 D 8.61 5.02 0.00 2.65 2.59 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 8 Y 7.74 5.29 0.00 2.92 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 9 R 9.16 4.60 0.00 1.80 1.96 0.00 2.75 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 10 I 8.64 4.71 2.03 0.00 0.00 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 1.46 0.90 0.98 0.00 0.00 11 L 9.03 4.39 0.00 1.63 1.58 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.05 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 13 E 7.89 4.31 0.00 1.96 1.80 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 2.23 2.25 0.00 14 S 8.12 4.42 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 Q 7.87 4.37 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 17 T 8.21 4.86 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 V 8.31 4.64 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 0.37 0.00 0.00 0.31 0.00 0.00 19 E 9.26 4.61 0.00 2.00 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 2.28 2.26 0.00 20 I 8.77 4.70 1.97 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.14 0.96 0.00 0.00 21 E 8.99 4.97 0.00 1.97 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 2.20 2.04 0.00 22 L 8.86 5.06 0.00 1.57 1.55 1.06 0.95 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 23 D 9.29 4.96 0.00 2.62 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 24 P 0.00 4.47 0.00 2.04 2.15 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 25 G 9.38 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 26 E 8.16 4.49 0.00 2.17 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 0.00 2.36 2.31 0.00 27 T 8.75 5.32 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 28 V 9.06 4.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 29 I 8.39 5.13 1.85 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 1.47 1.05 0.79 0.00 0.00 30 A 8.42 4.70 0.54 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 0.00 0.00 31 E 8.70 3.92 0.00 2.00 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 2.33 2.24 0.00 32 A 8.85 4.36 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 33 G 8.88 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.85 4.40 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 *36 N 8.22 4.59 0.00 2.34 2.94 0.00 0.00 6.99 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 6.15 4.43 0.00 2.84 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 *39 T 8.26 4.32 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 1.34 0.00 0.00 40 G 8.73 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 41 D 8.58 4.74 0.00 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0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.78 4.91 1.08 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 92 A 8.32 3.90 0.42 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 93 P 0.00 4.73 0.00 2.22 2.12 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 94 Y 6.58 5.01 0.00 3.33 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 95 P 0.00 4.40 0.00 2.28 2.07 0.00 3.98 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 96 G 7.73 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.63 4.84 0.00 4.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 9.00 4.80 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.39 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 0.00 141 G 7.91 3.36 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 0.00 142 E 9.12 3.89 0.00 1.94 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 2.28 2.19 0.00 143 G 8.16 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 0.00 144 F 9.08 4.54 0.00 2.43 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.80 4.84 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 0.93 0.00 0.00 146 L 8.88 4.91 0.00 1.84 1.64 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 9.10 5.06 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 148 K 9.25 4.63 0.00 1.77 1.62 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.88 0.59 7.81 149 L 8.98 5.07 0.00 1.41 1.45 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 150 E 10.55 4.92 0.00 1.74 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 2.05 2.05 0.00 151 G 7.11 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.33 4.93 0.00 2.72 2.67 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 0.00 0.00 0.00 0.00 153 G 7.70 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 0.00 0.00 0.00 0.00 154 L 8.31 4.73 0.00 1.50 0.93 0.63 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.05 4.53 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 0.58 0.00 0.00 0.92 0.00 0.00 156 F 8.78 4.94 0.00 2.68 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 0.00 157 V 8.52 4.82 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 0.47 0.00 0.00 0.71 0.00 0.00 158 H 9.21 5.28 0.00 2.92 3.05 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.70 4.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.53 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 9.29 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 9.24 4.57 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 163 L 8.49 4.69 0.00 1.76 1.62 1.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 164 I 9.12 4.51 1.91 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 1.14 0.73 0.92 0.00 0.00 165 R 8.58 4.73 0.00 1.73 1.67 0.00 3.01 0.00 0.00 2.90 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.70 0.00 166 R 8.50 4.55 0.00 1.86 1.62 0.00 3.15 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 167 Q 8.62 4.74 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 168 L 9.03 4.55 0.00 1.57 1.67 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 169 N 8.43 5.17 0.00 2.50 2.72 0.00 0.00 7.01 7.55 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 0.00 170 G 8.19 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 0.00 171 E 7.91 4.82 0.00 1.86 1.80 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 2.19 2.32 0.00 172 T 8.38 4.99 4.21 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 1.18 0.00 0.00 173 L 8.76 4.73 0.00 1.71 1.44 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.58 5.07 0.00 1.69 1.81 0.00 3.17 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 175 V 8.73 4.54 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 0.66 0.00 0.00 0.91 0.00 0.00 176 D 8.66 4.72 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.21 3.69 4.12 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 0.00 0.00 0.22 0.00 0.00 178 G 8.25 4.42 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 0.00 179 C 8.55 4.29 0.00 3.15 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 0.00 180 L 7.54 4.37 0.00 1.67 1.80 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 181 V 9.19 4.21 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 0.98 0.00 0.00 1.13 0.00 0.00 182 A 8.09 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 8.54 5.90 0.00 3.31 3.31 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 0.00 184 T 9.00 4.79 4.42 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 1.51 0.00 0.00 185 D 8.81 4.85 0.00 2.81 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 0.00 186 G 9.20 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.16 4.87 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 0.59 0.00 0.00 188 D 9.53 4.95 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 Y 7.50 5.20 0.00 2.62 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.76 4.59 0.00 2.59 2.41 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 0.00 191 V 8.47 4.70 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 0.73 0.00 0.00 0.85 0.00 0.00 192 Q 9.21 4.70 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 193 L 8.50 5.00 0.00 1.65 1.57 0.93 0.94 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 0.00 194 A 9.29 4.52 1.22 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 0.00 0.00 *205 E 7.97 4.29 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 206 G 8.51 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 L 8.38 4.74 0.00 1.78 1.59 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 208 L 8.57 4.98 0.00 1.69 1.58 1.14 0.66 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 0.00 209 L 9.03 5.11 0.00 1.50 1.51 0.91 0.55 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 0.00 210 T 8.90 4.90 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 1.05 0.00 0.00 211 T 8.80 4.63 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 212 L 9.05 5.28 0.00 1.42 1.38 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.94 5.32 0.00 1.56 1.57 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.15 7.81 214 G 7.98 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 0.00 215 S 9.85 4.94 0.00 3.83 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 0.00 216 G 7.57 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 T 8.09 4.87 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 0.28 0.00 0.00 218 V 8.92 5.05 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 1.16 0.00 0.00 0.98 0.00 0.00 219 W 10.22 5.30 0.00 3.27 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 0.00 220 L 9.30 5.62 0.00 1.82 1.58 1.02 0.85 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 0.00 221 Q 8.99 5.20 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 222 S 8.73 4.33 0.00 3.93 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 0.00 223 L 8.07 4.87 0.00 1.76 1.61 0.98 0.61 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 0.00 224 P 0.00 4.56 0.00 2.23 2.53 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 225 F 8.47 3.64 0.00 1.51 2.40 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 0.00 226 S 7.54 2.00 0.00 2.94 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 R 7.35 3.59 0.00 1.78 1.99 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 228 L 7.58 3.78 0.00 1.72 1.54 0.92 0.95 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 0.00 229 A 7.60 3.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 G 7.47 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 R 8.16 3.97 0.00 1.77 1.96 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 232 I 7.59 3.69 1.94 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 1.41 0.53 0.94 0.00 0.00 233 Y 8.40 4.24 0.00 3.13 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 0.00 234 D 8.03 4.24 0.00 2.86 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 0.00 235 A 7.86 4.22 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 0.00 236 T 7.26 4.28 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 0.00 237 F 8.23 4.32 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.