NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 T 4.3567 8.0333 110.9385 61.2329 70.3635 174.7055 37 E 3.9616 8.5165 122.3432 58.4529 29.5095 176.2623 38 E 3.9395 8.8691 120.4702 59.2743 30.2352 178.2943 39 Q 4.0021 7.7117 116.8316 58.9841 28.7801 178.9204 40 K 3.9159 8.5066 119.7943 59.6464 31.9849 179.1892 41 E 3.9623 8.7076 119.0984 59.5639 29.3189 179.4494 42 T 3.8287 7.7846 115.4691 66.7224 68.5227 176.4128 43 L 3.9406 8.0782 122.0893 57.7944 41.9688 179.1520 44 K 3.8684 7.9826 118.6159 59.3458 31.9483 179.1943 45 K 3.4219 7.5866 118.3481 59.4841 32.0820 179.3498 46 L 3.9317 7.8258 118.9590 57.6584 41.4783 179.7378 47 K 3.9550 8.1426 118.6014 59.1502 31.9676 179.0826 48 L 3.8811 7.7449 120.6405 58.5642 42.0965 178.8380 49 Y 4.4692 7.7610 116.5660 60.7929 37.6954 178.1252 50 Q 3.9263 7.9461 120.4963 58.5198 29.1537 178.0506 51 K 4.1109 8.2158 119.7355 59.4269 32.0268 178.5376 52 E 4.1710 8.1692 120.8620 58.8264 29.4189 177.9387 53 Y 4.0867 8.0870 119.2214 61.3914 38.8666 178.0650 54 Y 4.5638 8.0485 117.0711 61.2427 37.7294 178.6010 55 D 4.3341 8.1515 120.0972 57.4297 40.8230 178.3826 56 Y 4.1889 7.5713 117.2806 61.0439 37.9603 177.6959 57 E 4.0364 8.1908 120.3112 59.2795 29.5862 179.1098 58 S 4.0892 7.9882 115.1673 61.6323 62.9677 176.5534 59 K 3.9894 8.0435 120.9533 60.2633 31.7626 178.1735 60 F 4.2044 8.9720 121.0033 60.8387 39.1082 176.4902 61 E 3.3345 8.6995 117.4773 59.6697 29.6320 179.2427 62 Y 3.6433 7.7610 118.9501 60.8126 39.0549 178.1422 63 E 3.8458 8.5416 119.6936 58.9575 29.4573 179.2964 64 L 3.6906 7.9252 121.0470 57.8265 41.9991 178.7519 65 F 4.3800 8.0801 118.0740 60.7144 38.8118 177.2874 66 L 3.8691 7.6704 118.3685 58.0203 41.3737 179.5281 67 L 4.0468 7.7362 119.5445 58.2382 41.9655 179.2576 68 R 4.0631 8.1582 117.9658 59.3628 30.0388 179.0382 69 Q 4.0885 8.4985 118.1646 58.8839 28.3335 178.4318 70 K 3.6926 8.3086 121.0517 60.1475 32.0674 177.9999 71 Y 3.5352 7.9291 115.9449 60.4006 37.9575 177.1338 72 H 4.2062 8.6785 119.8187 59.6401 29.6842 176.7298 73 D 4.4275 7.8960 118.7791 56.3522 40.7749 178.1826 74 L 3.9909 6.7358 117.9671 57.2146 41.8847 178.5667 75 Y 4.2208 8.2234 117.2870 62.8663 37.8402 180.0977 76 G 3.5087 8.0924 103.2524 45.1386 0.0000 174.4754 77 P 4.2452 0.0000 0.0000 65.0625 31.6952 178.9359 78 I 3.7245 7.9750 118.6591 64.4958 36.9354 178.1157 79 Y 4.4666 7.5952 117.1277 61.3507 37.6965 178.2032 80 D 4.4067 8.2880 119.8420 57.1772 40.8399 179.0639 81 K 3.9525 8.1023 119.0071 59.4132 32.1037 179.0584 82 R 3.7880 8.0700 119.0313 59.6661 29.9248 178.4606 83 R 3.9049 8.1544 118.2152 59.2322 30.1029 177.7486 84 E 3.8637 8.8373 119.7150 59.4635 29.3768 178.6539 85 A 3.9279 8.0248 119.4000 55.1305 18.7136 179.3719 86 L 3.9107 7.7243 117.2273 57.7640 41.7211 179.4243 87 V 3.8939 7.8302 115.4184 63.4883 31.6485 175.2790 88 G 3.8401 8.0885 106.7550 46.8757 0.0000 173.1193 *92 A 4.2036 7.4216 122.8703 51.2953 19.8644 176.3853 93 K 4.7964 8.5795 118.7029 55.9355 33.0923 176.0803 94 I 4.7144 7.6792 117.0720 58.9208 41.1488 174.8944 95 G 3.8460 8.4110 115.2059 46.5576 0.0000 173.8100 96 T 3.6541 8.8034 109.5235 62.1188 67.8493 171.5281 97 P 4.3001 0.0000 0.0000 66.2612 32.0993 177.9656 98 N 4.5587 8.1303 113.4818 54.5078 38.7064 175.7374 99 L 4.5009 7.5201 116.9981 53.0485 44.1188 171.9863 100 P 4.3696 0.0000 0.0000 63.8308 32.4045 176.0649 101 E 3.8439 9.0364 118.3259 57.5577 26.4463 175.9891 102 F 4.0843 7.2042 118.9111 61.7465 38.9447 176.7320 103 W 4.1953 8.1125 117.3059 59.9119 29.1865 177.9281 104 L 3.9097 8.1305 119.4995 58.4632 41.4895 179.1121 105 R 3.7663 8.1559 117.3489 59.0936 29.8160 178.5597 106 A 4.0236 7.4871 119.2983 55.5051 18.4669 179.4148 107 L 3.8738 8.3059 116.9411 58.0590 41.5599 179.7353 108 R 3.8918 8.2715 117.0303 59.6380 30.1020 177.9512 109 N 4.7925 8.2069 112.8948 52.3454 38.7960 173.9585 110 N 4.9566 7.8573 121.3038 51.6997 40.4852 174.5706 111 N 4.2017 9.0734 123.7528 57.2266 38.4734 177.3889 112 T 4.0663 7.7718 115.3791 66.5252 68.8297 176.5951 113 V 3.7804 7.7731 119.4664 65.6121 31.7894 177.5576 114 S 4.0293 8.2825 113.3113 61.9052 61.7361 176.0669 115 H 4.2586 7.3102 118.1950 58.8858 28.6211 177.0544 116 V 3.8787 7.7519 111.2878 62.4314 31.8395 176.1127 117 I 4.3457 7.2418 121.2553 59.9242 37.2817 175.3089 118 E 4.5605 8.6718 125.1418 54.6967 31.2827 177.1016 119 D 4.4490 8.7468 120.5998 57.8958 40.9390 178.6862 120 H 4.6770 7.9914 112.1033 57.2407 29.4814 176.6501 121 D 4.7278 8.0433 121.2255 57.2677 40.7264 177.9700 122 E 4.1005 7.8993 118.2072 59.5281 29.3355 178.7541 123 E 4.3569 8.1819 114.2443 57.9243 30.2355 177.9625 124 I 4.0682 7.9996 121.7903 63.7116 37.7922 177.8455 125 L 4.5500 8.1317 119.1783 57.6487 41.4946 179.3151 126 V 3.7806 7.9684 111.7596 63.4885 31.4040 176.7605 127 Y 4.8993 8.2353 115.8157 56.7261 38.2651 174.8896 128 L 3.9803 7.8874 123.9450 55.1038 42.6671 175.9777 129 N 4.8673 9.3551 124.7877 55.7482 39.4751 175.1110 130 D 4.5038 7.6473 115.7406 52.9116 45.0542 173.7569 131 I 4.3758 6.4302 123.9558 59.3338 39.4872 175.0239 132 R 4.5863 8.8002 125.4071 54.4293 34.4969 174.2670 133 C 5.1112 8.2713 119.7248 58.2646 34.3921 172.6617 134 D 5.1455 8.7904 124.8879 52.5545 44.3989 175.1181 135 Y 5.0069 8.3614 118.6995 57.6317 39.8234 174.4066 *145 G 3.9477 8.7660 111.8695 44.4309 0.0000 173.3166 146 F 5.4176 5.4600 111.7722 54.6982 42.9896 176.0439 147 I 4.8965 9.2220 120.1696 59.1423 40.2949 174.3167 148 L 4.7358 9.2333 131.2158 54.7701 42.9843 176.4401 149 S 4.9273 9.1132 120.1339 56.6172 66.2982 172.9807 150 F 4.8887 9.5067 124.0289 55.9474 41.3076 174.1247 151 Y 5.0815 8.8797 123.3937 56.8788 39.2642 174.7818 152 F 5.4172 9.3235 123.9601 55.2580 41.0471 175.8783 153 A 4.3246 8.9665 125.5082 52.2733 19.1557 177.5911 154 T 3.8339 8.7019 116.3215 64.3032 69.2556 173.5450 155 N 4.3983 8.1106 121.8387 49.7951 40.3365 173.4081 156 P 4.2217 0.0000 0.0000 64.6872 31.6289 176.9498 157 F 4.8785 7.6619 117.2018 59.2385 40.3944 175.7296 158 F 5.1732 7.9337 110.9054 55.0131 40.3032 174.9894 159 S 4.3141 8.1102 114.3585 60.7356 63.8048 174.6740 160 N 4.2610 8.2662 117.9109 54.1607 38.7423 174.5819 161 S 4.9243 8.7333 116.3166 59.2634 65.1332 173.8246 162 V 4.8620 7.6636 119.8144 61.1704 34.4474 174.1920 163 L 4.5876 9.4659 128.7627 53.4054 43.4070 175.8078 164 T 5.1469 8.4420 114.5309 60.3448 71.8556 173.7769 165 K 4.7715 9.6099 124.2208 55.3529 35.6272 174.8191 166 T 4.7739 9.0226 125.1784 62.3827 70.2000 173.3944 167 Y 4.4664 8.4898 124.4719 56.4990 39.9301 174.4676 168 H 4.8564 8.6452 122.7019 54.9087 30.6355 174.8717 169 M 4.5600 8.5164 122.0195 53.5626 33.0523 175.0391 *181 L 4.3181 7.7426 123.6789 53.5111 44.5259 176.3589 182 H 5.1418 7.9872 112.8583 54.7569 32.5528 172.1293 183 T 4.6837 8.3301 110.2962 59.9626 71.5695 173.2287 184 E 4.6340 9.1563 123.4549 54.7436 32.4099 174.3529 185 A 5.2579 7.8761 125.6815 49.8583 21.3790 176.3150 186 T 4.1175 8.3250 112.4299 61.1355 69.6477 175.0421 187 V 3.6543 8.2167 125.3503 61.4275 32.1154 176.1087 188 I 3.2709 7.8527 124.7565 61.3401 38.3001 176.1368 189 D 4.6072 7.5253 124.2819 52.2918 39.1329 176.8471 190 W 4.9422 7.3602 116.9627 58.0035 30.3019 177.9379 191 Y 4.6762 9.1401 122.5619 57.1784 39.1084 174.7926 192 D 4.5572 8.8436 120.6499 55.9103 41.7467 175.5511 193 N 4.2761 8.9907 121.0392 54.1601 36.1892 174.6296 194 K 4.5464 7.9683 114.3084 56.1166 33.1623 176.6125 195 N 3.6420 7.8100 119.8035 51.8719 37.2909 175.2092 196 I 3.6120 7.1622 118.5487 62.8779 37.9636 177.9101 197 L 3.8944 6.5592 119.3275 56.7628 41.4671 177.5990 198 K 4.1663 7.3633 118.6664 54.0282 31.2397 175.2840 *222 R 4.1536 7.7799 119.1961 55.5472 30.7899 175.4193 223 D 4.8480 8.3878 117.2580 54.1908 41.9558 176.1593 224 S 4.9086 8.4781 114.8524 55.7894 65.6537 174.6796 225 F 4.2836 10.2072 128.4355 61.6216 38.9427 177.0529 226 F 4.5599 8.6452 115.3945 58.8057 38.7540 176.7556 227 H 4.5286 8.1946 116.1209 57.7512 28.5414 176.6300 228 F 3.9343 7.8840 122.3749 60.0894 39.7046 175.0330 229 F 4.4883 7.9050 118.1263 57.5664 38.6269 175.1879 230 T 4.6629 7.2718 115.6290 62.0191 71.5943 175.2874 231 S 4.8073 8.1364 118.6813 56.7819 65.3111 173.1112 232 H 4.7144 8.5636 118.9020 54.9546 33.4303 172.5318 233 K 4.3359 8.6761 114.9414 58.0089 34.6648 177.4609 *247 E 4.2845 7.8320 118.2323 56.1705 31.5157 177.6516 248 V 3.7639 7.7377 116.2220 64.2638 31.4444 176.9253 249 A 4.0195 7.7588 120.4364 56.0074 18.1467 179.6583 250 Q 3.9896 7.9952 116.3958 58.8720 28.7492 177.9410 251 L 4.2019 7.8953 118.1443 56.1138 42.0047 178.2713 252 E 4.2223 7.8955 119.4011 58.6745 30.1719 176.9997 253 M 3.9522 7.7737 118.1611 58.9972 32.3502 178.0874 254 I 3.6776 7.5185 118.9949 64.6649 36.8586 178.3363 255 I 3.9606 7.6357 119.0071 63.1375 36.9466 177.8627 256 E 4.1910 8.7407 121.4313 59.1531 29.6669 178.6577 257 G 3.7147 8.5954 106.0204 47.4063 0.0000 175.2996 258 D 4.5606 8.1672 120.0397 57.2822 41.3743 177.6686 259 Y 4.1105 7.9490 119.1943 60.2889 38.8496 177.2065 260 E 3.8153 8.1493 120.6207 58.9170 29.7574 178.8328 261 V 3.5108 7.7250 117.6719 66.1163 31.5799 177.6195 262 A 4.1512 7.8882 119.9971 55.2977 18.0369 179.4736 263 L 3.5389 7.3944 118.0426 58.7016 41.4163 178.6358 264 T 3.7686 7.5645 115.1548 67.0541 68.3878 175.9411 265 I 3.7432 7.8196 120.8526 64.5567 37.1000 178.3432 266 K 3.6202 7.8415 118.7091 59.0125 32.0448 177.7169 267 E 4.3523 8.3969 116.2561 56.3967 31.4984 177.6202 268 R 4.4096 9.0000 117.3657 58.1879 31.0590 178.6814 269 I 3.5210 7.2291 118.6339 64.3883 37.0716 178.2467 270 I 3.6157 7.3121 119.0368 64.0537 37.1102 176.0306 271 P 4.3690 0.0000 0.0000 65.0391 31.3061 176.8151 272 Y 5.0226 7.5297 114.5804 57.2484 39.1896 177.6484 273 A 4.1146 8.2244 123.6754 55.8214 18.3581 180.8053 274 V 3.8799 7.9975 116.4318 64.9183 31.5104 177.9758 275 D 4.3783 8.3895 119.8275 57.0915 40.5669 178.3253 276 Y 3.8980 7.9549 117.0025 61.0931 37.8117 177.1369 277 Y 3.9112 7.7586 119.1972 60.9628 38.9129 178.2790 278 L 4.1714 8.2114 117.8155 55.4480 41.6684 177.9570 279 G 3.8127 7.8785 106.9361 46.3689 0.0000 173.9926 280 I 4.2465 7.6922 110.4657 60.1193 37.9180 175.7905 281 I 3.9720 7.1430 127.1408 61.7837 37.8119 175.0212 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 36 T 8.03 4.36 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 37 E 8.52 3.96 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 2.39 2.36 0.00 38 E 8.87 3.94 0.00 2.03 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 0.00 2.37 2.40 0.00 39 Q 7.71 4.00 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 40 K 8.51 3.92 0.00 1.86 1.85 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 41 E 8.71 3.96 0.00 2.16 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 2.32 2.49 0.00 42 T 7.78 3.83 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 1.21 0.00 0.00 43 L 8.08 3.94 0.00 1.85 1.81 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.98 3.87 0.00 1.91 1.77 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.57 7.81 45 K 7.59 3.42 0.00 1.73 1.41 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.68 7.81 46 L 7.83 3.93 0.00 1.81 1.68 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.14 3.96 0.00 1.90 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 48 L 7.74 3.88 0.00 1.66 1.37 0.89 0.92 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 49 Y 7.76 4.47 0.00 3.01 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 50 Q 7.95 3.93 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 51 K 8.22 4.11 0.00 2.05 1.91 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.62 7.81 52 E 8.17 4.17 0.00 2.26 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 2.21 0.00 53 Y 8.09 4.09 0.00 3.22 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 54 Y 8.05 4.56 0.00 3.30 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 55 D 8.15 4.33 0.00 2.56 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.57 4.19 0.00 2.89 2.77 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 0.00 0.00 0.00 57 E 8.19 4.04 0.00 1.77 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 2.53 2.49 0.00 58 S 7.99 4.09 0.00 4.14 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 59 K 8.04 3.99 0.00 2.09 1.99 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.44 7.81 60 F 8.97 4.20 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.70 3.33 0.00 1.86 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 2.31 2.49 0.00 62 Y 7.76 3.64 0.00 2.96 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 63 E 8.54 3.85 0.00 2.02 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 0.00 2.45 2.59 0.00 64 L 7.93 3.69 0.00 0.85 1.17 0.79 1.01 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 65 F 8.08 4.38 0.00 2.95 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 66 L 7.67 3.87 0.00 1.76 1.64 0.76 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.74 4.05 0.00 1.94 1.76 1.04 0.90 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 68 R 8.16 4.06 0.00 2.13 2.12 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 69 Q 8.50 4.09 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 70 K 8.31 3.69 0.00 1.90 2.14 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.99 1.35 7.81 71 Y 7.93 3.54 0.00 3.03 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 72 H 8.68 4.21 0.00 3.45 3.55 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.90 4.43 0.00 2.86 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 74 L 6.74 3.99 0.00 1.13 1.36 -0.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.22 4.22 0.00 2.72 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.80 3.65 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 1.46 0.00 0.00 97 P 0.00 4.30 0.00 2.07 2.18 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.35 0.00 98 N 8.13 4.56 0.00 2.86 2.80 0.00 0.00 6.77 7.42 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 99 L 7.52 4.50 0.00 1.37 1.26 0.89 0.43 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 0.00 100 P 0.00 4.37 0.00 2.12 2.02 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 101 E 9.04 3.84 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 102 F 7.20 4.08 0.00 3.06 2.65 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 0.00 103 W 8.11 4.20 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 112 T 7.77 4.07 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 1.23 0.00 0.00 113 V 7.77 3.78 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 0.87 0.00 0.00 0.83 0.00 0.00 114 S 8.28 4.03 0.00 4.09 3.73 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 0.00 0.00 0.00 115 H 7.31 4.26 0.00 3.36 3.36 0.00 5.72 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 0.00 116 V 7.75 3.88 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.20 0.00 0.00 117 I 7.24 4.35 1.78 0.00 0.00 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 0.81 0.45 0.82 0.00 0.00 118 E 8.67 4.56 0.00 1.66 1.88 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 2.61 2.52 0.00 119 D 8.75 4.45 0.00 2.80 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 0.00 120 H 7.99 4.68 0.00 3.32 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 1.03 0.00 0.00 163 L 9.47 4.59 0.00 1.44 1.02 -0.45 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 164 T 8.44 5.15 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 1.19 0.00 0.00 165 K 9.61 4.77 0.00 1.84 1.93 0.00 1.08 0.00 0.00 0.72 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.20 1.03 7.81 166 T 9.02 4.77 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 0.96 0.00 0.00 167 Y 8.49 4.47 0.00 1.93 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 0.00 168 H 8.65 4.86 0.00 3.01 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 M 8.52 4.56 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 *181 L 7.74 4.32 0.00 1.82 1.67 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 182 H 7.99 5.14 0.00 3.38 3.29 0.00 5.42 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 T 8.33 4.68 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 0.56 0.00 0.00 184 E 9.16 4.63 0.00 1.78 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 2.21 2.23 0.00 185 A 7.88 5.26 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 0.00 186 T 8.32 4.12 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 1.27 0.00 0.00 187 V 8.22 3.65 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 0.67 0.00 0.00 0.89 0.00 0.00 188 I 7.85 3.27 0.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.19 -1.50 0.00 0.00 189 D 7.53 4.61 0.00 2.43 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 0.00 190 W 7.36 4.94 0.00 3.15 3.14 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 0.00 191 Y 9.14 4.68 0.00 2.95 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 0.00 192 D 8.84 4.56 0.00 2.68 2.61 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 0.00 193 N 8.99 4.28 0.00 2.90 2.89 0.00 0.00 6.82 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 7.97 4.55 0.00 2.01 2.07 0.00 1.70 0.00 0.00 1.54 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.27 7.81 195 N 7.81 3.64 0.00 2.50 2.41 0.00 0.00 6.88 7.80 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 0.00 196 I 7.16 3.61 1.90 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 1.15 0.32 0.95 0.00 0.00 197 L 6.56 3.89 0.00 1.47 1.65 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 198 K 7.36 4.17 0.00 1.69 1.66 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.32 7.81 *222 R 7.78 4.15 0.00 1.95 1.99 0.00 2.84 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 223 D 8.39 4.85 0.00 2.79 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 0.00 224 S 8.48 4.91 0.00 4.03 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 0.00 225 F 10.21 4.28 0.00 3.11 2.90 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 0.00 226 F 8.65 4.56 0.00 3.42 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 0.00 227 H 8.19 4.53 0.00 3.41 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 F 7.88 3.93 0.00 2.54 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 0.00 0.00 0.00 229 F 7.90 4.49 0.00 3.05 3.12 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 0.00 230 T 7.27 4.66 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 1.05 0.00 0.00 231 S 8.14 4.81 0.00 3.62 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 0.00 232 H 8.56 4.71 0.00 2.92 3.09 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 K 8.68 4.34 0.00 1.67 1.71 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.35 7.81 *247 E 7.83 4.28 0.00 2.02 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 2.27 2.30 0.00 248 V 7.74 3.76 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 0.99 0.00 0.00 0.93 0.00 0.00 249 A 7.76 4.02 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 0.00 250 Q 8.00 3.99 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 251 L 7.90 4.20 0.00 1.80 1.71 0.92 0.75 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 0.00 252 E 7.90 4.22 0.00 2.02 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 2.38 2.34 0.00 253 M 7.77 3.95 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 254 I 7.52 3.68 1.88 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 1.50 0.99 0.75 0.00 0.00 255 I 7.64 3.96 2.07 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.91 0.00 0.00 256 E 8.74 4.19 0.00 2.20 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 2.36 2.39 0.00 257 G 8.60 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 0.00 258 D 8.17 4.56 0.00 2.79 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 0.00 259 Y 7.95 4.11 0.00 3.33 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 0.00 260 E 8.15 3.82 0.00 2.28 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 0.00 2.30 2.33 0.00 261 V 7.72 3.51 2.45 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 0.89 0.00 0.00 1.06 0.00 0.00 262 A 7.89 4.15 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 0.00 263 L 7.39 3.54 0.00 1.39 1.53 0.78 0.54 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 0.00 264 T 7.56 3.77 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 1.16 0.00 0.00 265 I 7.82 3.74 1.93 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 1.32 0.81 0.71 0.00 0.00 266 K 7.84 3.62 0.00 1.46 1.55 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.32 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.99 0.53 7.81 267 E 8.40 4.35 0.00 1.94 1.88 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 2.15 2.12 0.00 268 R 9.00 4.41 0.00 1.91 2.05 0.00 3.69 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 269 I 7.23 3.52 1.85 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.91 0.00 0.00 270 I 7.31 3.62 1.80 0.00 0.00 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 1.08 0.24 0.21 0.00 0.00 271 P 0.00 4.37 0.00 0.49 1.49 0.00 3.30 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 1.73 1.81 0.00 272 Y 7.53 5.02 0.00 3.19 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 0.00 273 A 8.22 4.11 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 0.00 274 V 8.00 3.88 2.18 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 0.88 0.00 0.00 1.00 0.00 0.00 275 D 8.39 4.38 0.00 2.90 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 0.00 0.00 0.00 0.00 276 Y 7.95 3.90 0.00 3.16 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 0.00 277 Y 7.76 3.91 0.00 2.46 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 L 8.21 4.17 0.00 1.83 1.73 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 279 G 7.88 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 0.00 280 I 7.69 4.25 1.80 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 1.33 0.60 0.87 0.00 0.00 281 I 7.14 3.97 0.93 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 0.98 0.36 0.56 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.