NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4163 8.3349 115.2923 58.3745 63.4033 173.4600 -1 N 4.5207 8.5063 121.4787 53.1414 40.1157 176.1286 0 A 4.2847 7.2663 121.9861 51.5987 19.6695 177.2313 0 N 4.7047 7.4263 116.8861 52.1987 39.4695 174.6313 3 D 4.3755 8.0864 118.2944 57.1653 40.6607 178.6254 4 I 3.7350 7.4045 118.6992 64.3079 37.5470 178.1605 5 V 3.7302 7.8445 118.2487 66.1723 31.2514 177.6082 6 A 4.0383 8.0852 118.6368 55.1234 18.1726 178.8043 7 S 4.3280 7.8535 110.3177 58.9748 63.8045 174.1776 8 T 4.6750 7.3764 119.7052 62.0226 70.7110 174.3136 9 Q 4.1596 8.8331 125.5145 58.3739 29.2111 176.2918 10 L 4.9193 7.4214 114.7922 51.7356 45.5587 174.5516 11 P 4.7080 0.0000 0.0000 63.5167 32.1545 175.7086 12 N 4.8141 9.1579 121.2720 53.2285 39.9440 174.4382 13 T 4.8518 8.8418 112.8128 59.0810 72.6223 174.8049 14 I 3.6145 8.5564 122.0158 64.7352 36.9285 178.7360 15 K 3.9616 7.9320 118.5854 59.7472 32.0738 179.4231 16 T 3.8899 8.0340 110.0984 64.8706 68.4903 176.5961 17 I 3.7061 8.1294 123.0024 64.2714 37.1312 178.3685 18 T 3.8076 8.2007 117.0570 66.6743 68.3083 176.0883 19 N 4.2814 8.2339 118.7613 56.7977 38.9810 176.5712 20 D 4.3424 8.1868 120.2402 57.3233 40.9222 178.7356 21 L 3.9263 8.1972 119.7546 57.9005 41.6566 179.8513 22 R 4.0610 8.0299 117.8048 59.3308 29.8097 179.2295 23 K 3.9416 7.9124 116.9860 59.4567 32.0788 178.8684 24 L 4.1295 7.7225 119.8267 56.5946 42.0454 177.2301 25 G 3.9398 7.5358 105.0284 44.8960 0.0000 173.7160 26 L 3.9384 7.7633 122.6785 54.6848 42.5749 176.3065 27 K 4.6403 7.9554 123.6107 53.7191 36.0059 175.8402 28 K 4.0232 7.9734 120.9935 57.7982 32.6222 176.0442 29 G 3.5281 8.2872 113.0735 45.6800 0.0000 171.9073 *31 T 4.5328 7.4860 115.9645 63.7361 70.8518 174.0638 32 V 5.0035 8.9127 125.9683 60.1967 35.3737 173.6432 33 I 4.7696 8.9072 125.2763 59.3702 39.8980 174.1790 34 V 4.8532 8.4901 129.2145 61.3578 34.1547 174.2975 35 H 5.0736 9.0884 124.1472 54.0522 32.0877 172.7580 36 S 5.1166 8.5789 116.1818 57.0273 66.4834 173.1164 37 S 4.5103 8.4118 115.1825 56.0718 63.8560 174.2109 38 L 4.0777 8.7430 129.4104 58.2358 41.8941 178.9022 39 S 4.1690 8.0417 114.0284 61.2641 62.9857 176.3714 40 S 4.1575 7.9617 117.4416 61.2887 62.5774 176.6352 41 I 4.0133 7.5431 124.0095 62.9738 36.7940 175.3020 42 G 3.9201 7.5753 103.7501 43.3241 0.0000 172.4523 43 W 4.1940 9.3020 129.5620 57.3762 31.8489 174.9784 44 I 4.5294 6.9723 127.0386 59.0577 39.9120 174.5068 45 S 3.4957 8.3418 123.0999 61.6318 61.7285 173.4342 46 G 3.9327 9.7068 116.0516 44.2797 0.0000 175.1527 47 G 3.4194 7.5953 108.9609 46.3100 0.0000 176.3485 48 A 3.9212 8.5410 122.1920 54.9755 18.1456 179.3110 49 V 3.5746 7.9189 116.0944 66.4024 31.3720 177.9967 50 A 3.9094 7.7405 119.8171 55.0501 18.1115 179.8563 51 V 3.4095 7.5457 116.3047 65.9875 31.4937 178.2970 52 V 3.3103 7.3872 116.8063 66.0638 31.4316 177.6235 53 E 3.9275 8.0612 116.9655 58.9608 29.5406 178.9007 54 A 4.1361 8.1901 121.2823 55.0602 18.3602 180.4550 55 L 3.6282 7.7732 114.3025 55.7466 41.3104 178.7759 *57 E 4.2078 8.0544 121.4558 56.3474 31.1508 177.3181 58 V 3.7640 7.7942 118.1305 66.0468 32.1383 178.1826 59 I 3.6444 8.2780 121.1451 63.5014 37.3037 176.6786 60 T 3.9783 8.0687 111.0401 60.3731 68.9635 172.1066 61 E 3.2583 9.0888 123.2114 60.1564 29.6995 179.2451 62 E 4.0828 8.1234 113.2948 56.8276 30.3650 179.1773 63 G 4.3688 8.1297 105.9354 45.9429 0.0000 172.3949 64 T 5.3234 8.2653 114.6082 62.0955 72.9113 173.2046 65 I 4.9143 9.4214 127.4487 59.9150 39.8084 174.9589 66 I 5.8002 8.9197 126.6400 57.7304 41.7345 172.2009 *68 P 4.0725 0.0000 0.0000 62.3530 32.0740 176.7917 69 T 4.7778 7.9956 111.9464 61.1225 67.9350 174.3324 70 Q 4.3311 7.9720 120.4909 56.4137 30.5877 178.0454 71 S 5.0328 8.4099 115.2870 57.0735 63.1156 175.6525 72 S 4.2420 8.0027 115.8551 61.5583 63.2257 175.9956 73 D 4.4853 7.9971 119.0491 54.7584 39.6080 176.6431 74 L 4.5450 8.3354 120.4242 55.4379 42.0530 176.9101 75 S 4.8217 7.9950 114.3164 57.2870 64.2057 173.2805 76 D 4.5056 8.6631 120.7197 53.4132 41.4323 175.0033 77 P 2.0000 0.0000 0.0000 63.9585 31.5719 178.8515 78 K 2.0000 7.2247 121.3136 57.1172 31.2969 182.9687 79 H 4.6751 6.9246 112.0146 55.5777 29.0878 175.8217 80 W 4.5971 7.6002 121.1321 56.8307 29.3613 176.1471 81 S 4.7785 8.7899 114.2605 57.7618 64.4574 173.5091 82 R 4.7416 7.7452 119.0510 53.7045 29.9036 172.3004 83 P 4.9780 0.0000 0.0000 59.7547 33.6951 174.5042 84 P 4.9681 0.0000 0.0000 62.2747 32.4049 175.7122 85 V 4.3375 8.1660 111.8742 58.5074 34.9405 174.1828 86 P 4.0294 0.0000 0.0000 62.4463 31.9367 177.3697 87 E 2.0000 8.0026 121.2082 58.4054 29.1715 178.5289 88 E 3.9885 7.7160 117.3005 57.8866 29.9363 177.5250 89 W 4.7170 8.0168 117.7261 58.0209 29.6221 178.3749 90 W 4.2049 8.0189 119.9724 59.9165 28.5464 178.1759 91 Q 3.8745 8.0885 119.0076 58.9406 28.4143 177.7378 92 I 3.6634 7.7924 120.5351 64.4513 37.0467 178.2315 93 I 3.7285 7.9161 120.4480 64.5852 36.7762 178.7717 94 R 2.8314 7.3367 117.2602 58.8997 29.7081 178.5201 95 D 4.5403 7.9220 117.5303 56.1002 40.9484 176.8920 96 N 4.9425 7.5472 114.7311 53.0940 41.1443 175.5719 97 V 3.7771 7.9824 118.3499 61.0979 31.7248 174.4145 98 P 4.3947 0.0000 0.0000 61.9595 31.9094 176.0013 99 A 4.3300 8.5800 123.7438 52.2226 19.1045 177.0868 100 F 4.2717 8.9897 123.6567 58.7131 40.2980 174.4875 101 E 4.3994 8.6591 125.6061 53.6325 32.2471 175.0508 102 P 3.8801 0.0000 0.0000 65.6651 31.3834 177.0377 103 H 4.5814 7.7809 113.4593 56.5637 29.3556 175.3446 104 I 4.2484 7.2341 118.0420 62.8302 39.1714 176.3960 105 T 3.9184 7.8621 117.2816 62.9707 68.4198 172.8452 106 P 4.5432 0.0000 0.0000 62.2008 32.2473 176.1435 107 T 4.5478 8.3541 110.8378 61.0669 69.9153 174.2323 108 R 4.3841 8.1166 121.8052 55.5023 32.9286 174.6663 109 A 3.4714 8.5129 127.8818 52.7702 15.5025 176.8153 *111 G 3.7610 7.4561 107.7668 43.4881 0.0000 170.6676 112 K 4.0255 8.3416 121.0875 59.1706 32.1326 179.3523 113 V 3.5539 7.6919 118.4190 65.8367 31.4056 178.0529 114 V 3.6918 7.7011 117.5794 66.0752 31.2755 177.7201 115 E 4.0018 7.9091 116.9719 59.3554 29.4180 178.7442 116 C 4.3151 8.3600 118.8443 62.5173 31.7535 175.3207 117 F 4.1344 8.5761 122.8730 61.3255 38.7814 177.2489 118 R 3.8007 8.3532 114.8006 58.6308 29.2824 177.8500 119 T 4.2806 7.3751 108.6195 61.3050 69.7401 174.6861 120 Y 3.9684 7.4512 120.9863 57.1777 38.5728 173.9155 121 P 4.3655 0.0000 0.0000 63.9782 32.0997 175.9594 122 N 4.2797 8.7872 115.6134 54.0658 36.1487 173.9048 123 V 4.4030 7.4905 118.8586 61.9582 32.6904 175.3703 124 V 4.4917 8.8482 127.7495 61.0825 34.0519 173.9471 125 R 5.2981 8.5311 127.7231 54.5070 32.0233 175.6632 126 S 4.4716 9.2476 121.3998 58.3163 64.5968 173.9487 127 N 4.9088 8.6534 119.5274 52.1657 36.8511 172.3524 128 H 4.4443 7.6182 122.9856 53.3448 33.0212 172.5862 129 P 3.5713 0.0000 0.0000 64.4498 31.8225 176.7062 130 L 4.5808 7.7609 118.5987 54.4755 44.8205 177.8340 131 G 4.2762 7.7997 105.0030 45.5181 0.0000 173.5687 132 S 4.8768 7.9725 114.0938 58.0215 65.1914 173.0276 133 F 5.2759 9.4736 118.0798 55.7136 43.3814 173.8963 134 A 5.5065 8.8605 121.1369 50.4998 22.3303 175.0579 135 A 5.5248 9.3170 121.1164 50.4924 23.4941 175.0780 136 W 5.1798 9.9231 129.1292 57.2809 34.8671 174.5328 137 G 2.9864 8.0183 110.3273 43.8094 0.0000 173.3548 138 R 3.6659 8.0425 118.8262 59.6225 30.2178 179.2206 139 H 4.8928 8.2669 113.3300 55.7025 29.3468 176.8846 140 A 4.0851 7.7394 126.1018 55.1831 18.1448 180.5277 141 E 3.8849 8.0227 116.6303 59.5744 29.5631 178.6539 142 E 3.9247 8.2022 117.3885 59.7182 29.7487 178.5768 143 I 3.8974 8.0316 119.7933 63.8765 36.9883 177.8710 144 T 4.2310 7.5619 109.2212 61.9213 68.3197 175.8575 145 V 3.7896 7.2750 121.7952 62.3752 32.1776 175.3415 146 N 4.2971 8.7272 115.9540 54.0871 36.1381 174.6942 147 Q 4.2421 7.3809 118.2205 56.0779 29.7288 175.9046 148 S 4.4150 8.4183 120.3198 57.6532 64.2333 174.3532 149 L 3.7048 8.3337 124.1481 58.4600 42.0067 178.7944 150 S 5.3695 7.8120 115.5559 57.2869 60.8086 173.4073 *152 S 4.4842 8.0185 117.7817 57.4719 65.0419 175.6792 153 L 4.7360 8.3415 119.5424 54.2786 41.0676 176.2191 154 G 4.3969 7.6512 110.7345 45.2439 0.0000 175.8973 155 E 4.0930 8.8513 119.6293 58.5093 30.3298 177.0891 156 E 4.6930 7.5557 118.1436 55.9177 29.7555 175.0494 157 S 4.9829 7.3797 112.5183 55.2413 68.0883 171.9337 158 P 4.3106 0.0000 0.0000 64.8628 30.8154 178.8986 159 L 3.8112 7.1395 117.9888 57.8373 41.4696 179.5432 160 R 3.9135 7.8280 117.9733 59.2908 29.8898 178.5569 161 K 3.9905 7.7082 118.6523 59.2716 31.9898 179.4604 162 I 3.7042 7.8893 120.3438 64.2719 37.0210 177.7153 163 Y 4.3546 8.0128 121.7259 60.4119 38.4403 177.9857 164 D 4.4603 8.2994 118.4785 56.9375 40.9415 177.8454 165 L 4.2860 7.3048 116.8624 53.2652 42.4445 175.8967 166 D 4.0076 7.7906 117.5509 55.1013 40.0541 173.0407 167 G 4.0052 7.7602 105.8763 46.2176 0.0000 172.7083 168 Y 5.0836 9.3218 117.0393 56.1462 41.4994 175.2750 169 I 4.9512 8.3176 121.0978 59.4974 40.6224 174.1735 170 L 5.0426 9.2097 129.3645 53.2514 44.6647 174.7694 171 L 4.9166 9.0239 127.2122 53.2546 44.0405 175.7200 172 I 4.2999 8.9768 126.8477 59.7042 38.4532 176.1391 173 G 4.2113 8.5099 113.7772 45.6807 0.0000 172.1835 174 V 4.4746 7.5485 110.8053 59.2204 35.6988 174.8904 175 G 4.2592 8.0126 109.8665 44.0098 0.0000 173.7896 176 Y 3.9958 8.6585 115.5034 60.4883 37.9703 178.1775 177 D 4.4918 8.2866 118.3466 55.7245 39.4817 177.0547 178 S 4.5195 7.9326 114.3887 58.5950 63.4845 174.8541 179 N 4.4117 8.1854 121.9279 52.0899 37.0809 174.8839 180 T 4.0181 8.0663 119.9738 66.6295 68.8359 175.3739 181 S 4.2528 8.1974 116.2121 61.6037 62.7873 176.7310 182 V 3.5393 7.7020 120.8576 65.3295 30.9806 178.0847 183 G 3.9031 8.2699 106.2491 47.8193 0.0000 175.3874 184 L 4.2678 7.8363 123.7965 57.5033 42.0924 179.1850 185 S 4.2649 7.8622 116.1968 60.9258 62.9538 176.1294 186 E 3.4013 8.3252 121.3046 59.2686 29.3394 179.5911 187 V 3.6510 7.7958 117.9591 66.2969 31.4678 178.4196 188 R 4.0215 7.7883 116.2131 58.8382 29.8824 178.8663 189 S 4.3373 8.2351 114.0901 59.0659 63.1155 174.5518 190 G 3.8183 7.8574 108.7125 46.7429 0.0000 173.7452 191 A 4.4655 7.4260 119.4165 53.2461 21.2491 178.0991 192 C 4.0292 7.7387 114.6614 60.4503 28.9093 174.2301 193 E 4.3632 8.1903 116.8808 54.8421 30.3854 177.2628 194 L 4.3890 8.1965 122.7792 54.1809 42.7000 176.4632 195 I 4.6731 8.7156 115.4719 58.7472 41.4863 174.1751 196 K 4.5960 8.5806 125.2103 56.2968 32.6092 176.2751 197 V 4.4239 8.5175 120.7004 59.4622 35.3630 174.8186 198 G 4.2727 8.0403 107.3843 44.9973 0.0000 171.5216 199 A 4.3129 7.5062 120.7165 50.7794 23.5125 173.4254 200 P 5.2262 0.0000 0.0000 61.6693 33.3734 174.8973 201 I 5.0135 8.6350 117.0708 58.8227 41.6266 174.1916 202 I 4.6498 8.2649 123.3362 60.3114 38.2540 175.4530 203 E 4.4702 9.1692 128.0337 55.3815 32.1680 174.9875 204 N 4.1668 9.7001 124.2089 54.6027 36.0248 174.6226 205 G 3.9578 8.8697 101.5328 45.9656 0.0000 173.4315 206 E 4.6931 7.7290 118.3095 53.9341 33.5986 174.1750 207 R 4.4836 8.8404 127.1282 57.1789 30.7353 175.8021 208 V 4.5872 8.7404 119.7468 59.0743 35.4292 175.0356 209 W 4.6536 9.0501 134.8829 57.1824 31.0768 174.8137 210 K 4.5056 8.6437 130.0583 54.7688 33.6320 174.7807 211 E 5.0841 8.6436 126.6098 55.2566 31.7693 174.9417 212 F 4.8578 8.4017 117.0538 56.4732 42.1784 172.3612 213 V 4.8513 8.6655 118.0835 60.9332 34.3733 172.4901 214 D 4.5481 8.8747 128.7882 54.2276 47.3800 176.6269 *216 D 4.4586 8.9164 108.6422 53.3738 41.1822 172.9996 217 Y 4.4244 7.5254 117.8560 57.3491 39.1825 176.0563 218 D 4.5876 9.2058 122.7718 51.7225 42.8274 176.2975 219 S 3.1101 8.1624 122.5546 60.1312 62.6026 175.7495 220 D 4.4246 8.1774 125.5472 57.8567 40.7134 178.6549 221 K 4.2847 7.8737 122.0993 58.6952 31.8475 181.5630 222 F 4.4962 8.0660 117.2926 61.3032 38.8107 177.8080 223 V 3.7144 7.8318 117.5836 65.7656 31.4566 177.8456 224 E 3.8754 7.7488 117.4393 59.3580 29.3166 179.2805 225 I 3.0952 6.9677 119.8306 63.9485 37.0692 178.5666 226 G 2.1587 7.5522 106.3689 47.2538 0.0000 175.5425 227 V 3.4643 7.0314 119.6173 65.8825 31.6565 177.7143 228 E 4.1383 7.9040 117.5649 59.2169 28.9357 178.9692 229 F 2.9094 8.3420 121.0251 61.0269 39.1026 177.0776 230 E 3.7550 7.7818 116.8271 58.9051 29.3023 178.7865 231 Q 4.1248 7.4652 116.8192 57.4061 28.8750 176.8665 232 K 4.2978 7.4941 116.7825 56.6392 34.9727 175.8152 233 G 3.5217 8.0509 107.3643 43.8061 0.0000 171.6527 234 T 4.4101 7.7898 116.1250 61.5838 69.9744 174.4047 235 V 4.6194 7.9763 125.0746 60.8482 34.6125 174.2779 236 T 4.3487 9.0149 121.1029 62.0708 71.8676 173.0939 *238 G 3.8975 8.1784 108.6030 46.5770 0.0000 171.6665 239 K 5.0833 8.5099 117.9687 54.4689 34.5446 176.3539 240 I 4.4619 8.3134 123.8940 60.1057 39.0761 176.9321 241 G 3.7897 8.0296 117.9324 47.0742 0.0000 175.4421 242 N 4.4601 9.3535 123.0691 54.1918 38.9092 174.8149 243 A 4.1604 8.0913 122.3982 51.4020 19.7561 176.6828 244 K 4.4359 8.7608 125.0308 56.5933 33.2719 175.5681 245 C 5.4711 8.9469 125.0244 58.1176 31.7679 173.6661 246 R 4.9349 8.7383 118.6163 54.5912 34.0653 174.2208 247 L 5.6516 8.8997 124.7099 52.1076 46.0366 175.4209 *249 K 3.8964 8.3762 121.9875 55.9037 33.5908 176.7260 250 Q 3.9121 8.7488 125.0858 59.4790 28.8836 178.9697 251 R 4.0144 7.7185 118.4732 59.1110 30.0326 178.5372 252 D 4.4272 7.9594 118.2622 57.5038 41.0139 178.5317 253 I 2.7800 7.2359 118.9822 63.7204 37.9562 178.0055 254 V 3.8909 7.9993 120.8486 65.7050 31.4947 177.8075 255 D 4.4490 8.5032 118.7283 57.1381 40.6585 178.4343 256 F 4.2311 8.5435 121.4099 61.3664 39.4065 177.3680 257 G 3.6175 8.7036 105.6563 48.0607 0.0000 175.6183 258 T 4.1198 8.2466 120.5719 67.3330 68.5703 177.2690 259 E 4.0769 8.0878 119.5748 60.5236 29.4218 180.7966 260 W 3.9725 7.8006 127.7039 60.6371 30.8500 177.8285 261 F 4.5024 8.3692 118.9463 61.0598 38.4532 176.2170 *262 R 4.2432 7.5315 117.6717 55.8207 31.1441 177.8057 263 K 4.0700 8.0322 120.6528 56.6103 32.4304 175.9954 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 4.42 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.51 4.52 0.00 2.82 2.85 0.00 0.00 6.92 6.46 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 0 A 7.27 4.28 1.26 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 N 7.43 4.70 0.00 2.59 2.59 0.00 0.00 6.59 6.80 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 3 D 8.09 4.38 0.00 2.73 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 4 I 7.40 3.73 1.99 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 0.51 1.09 0.00 0.00 5 V 7.84 3.73 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 0.88 0.00 0.00 0.58 0.00 0.00 6 A 8.09 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.85 4.33 0.00 4.09 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 0.00 8 T 7.38 4.67 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 1.37 0.00 0.00 9 Q 8.83 4.16 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 10 L 7.42 4.92 0.00 1.60 1.55 0.94 1.02 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 11 P 0.00 4.71 0.00 2.11 2.50 0.00 3.75 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 2.17 2.29 0.00 12 N 9.16 4.81 0.00 2.70 2.68 0.00 0.00 6.44 6.57 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 13 T 8.84 4.85 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 1.24 0.00 0.00 14 I 8.56 3.61 1.85 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 1.75 0.60 0.88 0.00 0.00 15 K 7.93 3.96 0.00 1.76 1.85 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 16 T 8.03 3.89 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 1.22 0.00 0.00 17 I 8.13 3.71 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.84 0.00 0.00 18 T 8.20 3.81 4.37 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 1.19 0.00 0.00 19 N 8.23 4.28 0.00 2.83 2.92 0.00 0.00 7.28 8.11 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 20 D 8.19 4.34 0.00 2.84 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 21 L 8.20 3.93 0.00 1.81 1.66 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.03 4.06 0.00 1.97 1.95 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 23 K 7.91 3.94 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 24 L 7.72 4.13 0.00 1.74 1.87 0.91 1.18 0.00 0.00 0.00 0.00 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0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.95 0.00 0.00 163 Y 8.01 4.35 0.00 3.26 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 0.00 164 D 8.30 4.46 0.00 2.85 2.73 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 0.00 165 L 7.30 4.29 0.00 1.62 1.60 0.79 0.93 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 0.00 166 D 7.79 4.01 0.00 2.61 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 0.00 167 G 7.76 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 0.00 168 Y 9.32 5.08 0.00 2.80 2.85 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 0.00 169 I 8.32 4.95 1.87 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 1.25 1.37 0.97 0.00 0.00 170 L 9.21 5.04 0.00 1.66 1.45 0.95 0.41 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 8.19 4.41 0.00 2.61 2.71 0.00 0.00 7.13 7.13 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 0.00 180 T 8.07 4.02 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 1.24 0.00 0.00 181 S 8.20 4.25 0.00 3.97 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 0.00 182 V 7.70 3.54 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 0.26 0.00 0.00 0.66 0.00 0.00 183 G 8.27 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 0.00 0.00 0.00 184 L 7.84 4.27 0.00 1.76 1.81 0.89 0.71 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 0.00 185 S 7.86 4.26 0.00 4.24 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.33 3.40 0.00 2.41 1.91 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 1.64 2.61 0.00 187 V 7.80 3.65 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.15 0.00 0.00 188 R 7.79 4.02 0.00 1.90 1.96 0.00 3.05 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 189 S 8.24 4.34 0.00 4.14 4.28 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 0.00 190 G 7.86 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 0.00 0.00 0.00 191 A 7.43 4.47 1.25 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 0.00 192 C 7.74 4.03 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.19 4.36 0.00 1.98 1.72 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 2.20 1.89 0.00 194 L 8.20 4.39 0.00 1.58 1.57 0.89 0.72 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 8.72 4.67 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.82 0.00 0.00 196 K 8.58 4.60 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 197 V 8.52 4.42 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 0.53 0.00 0.00 -0.39 0.00 0.00 198 G 8.04 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 0.00 199 A 7.51 4.31 1.19 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 0.00 0.00 200 P 0.00 5.23 0.00 2.30 2.57 0.00 3.70 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 201 I 8.64 5.01 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.79 0.00 0.00 202 I 8.26 4.65 1.90 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 1.26 0.86 0.95 0.00 0.00 203 E 9.17 4.47 0.00 1.88 1.74 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 2.19 2.24 0.00 204 N 9.70 4.17 0.00 2.92 2.89 0.00 0.00 7.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 G 8.87 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 0.00 206 E 7.73 4.69 0.00 2.22 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 2.24 2.28 0.00 207 R 8.84 4.48 0.00 1.92 1.91 0.00 3.30 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 208 V 8.74 4.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 209 W 9.05 4.65 0.00 3.68 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 0.00 210 K 8.64 4.51 0.00 1.76 1.60 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.48 7.81 211 E 8.64 5.08 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 2.35 2.40 0.00 212 F 8.40 4.86 0.00 3.09 3.05 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 0.00 213 V 8.67 4.85 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 0.93 0.00 0.00 0.92 0.00 0.00 214 D 8.87 4.55 0.00 2.82 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 D 8.92 4.46 0.00 2.58 2.52 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 0.00 217 Y 7.53 4.42 0.00 2.99 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 0.00 218 D 9.21 4.59 0.00 2.69 2.53 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 0.00 219 S 8.16 3.11 0.00 3.98 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 0.00 220 D 8.18 4.42 0.00 2.73 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 0.00 221 K 7.87 4.28 0.00 1.85 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 222 F 8.07 4.50 0.00 3.20 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 7.83 3.71 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 1.10 0.00 0.00 1.07 0.00 0.00 224 E 7.75 3.88 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 2.40 2.42 0.00 225 I 6.97 3.10 1.53 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 -0.02 -0.36 0.78 0.00 0.00 226 G 7.55 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 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.03 3.46 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 0.85 0.00 0.00 0.90 0.00 0.00 228 E 7.90 4.14 0.00 2.41 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 2.47 2.47 0.00 229 F 8.34 2.91 0.00 2.33 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 0.00 230 E 7.78 3.76 0.00 1.89 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 2.50 0.00 231 Q 7.47 4.12 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 232 K 7.49 4.30 0.00 1.54 1.83 0.00 2.12 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.55 7.81 233 G 8.05 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 0.00 234 T 7.79 4.41 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 7.98 4.62 2.26 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 0.63 0.00 0.00 1.10 0.00 0.00 236 T 9.01 4.35 4.37 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 1.27 0.00 0.00 *238 G 8.18 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 0.00 0.00 0.00 239 K 8.51 5.08 0.00 1.72 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 240 I 8.31 4.46 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.87 0.00 0.00 241 G 8.03 3.79 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 0.00 0.00 0.00 242 N 9.35 4.46 0.00 2.95 2.89 0.00 0.00 6.93 7.24 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 0.00 243 A 8.09 4.16 1.26 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 0.00 244 K 8.76 4.44 0.00 1.86 1.71 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.47 7.81 245 C 8.95 5.47 0.00 2.92 2.83 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 0.00 246 R 8.74 4.93 0.00 1.64 1.76 0.00 3.03 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 1.58 1.56 0.00 247 L 8.90 5.65 0.00 1.68 1.47 0.97 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *249 K 8.38 3.90 0.00 1.86 1.48 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.23 7.81 250 Q 8.75 3.91 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 251 R 7.72 4.01 0.00 1.66 1.68 0.00 2.83 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 252 D 7.96 4.43 0.00 2.98 3.05 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 0.00 253 I 7.24 2.78 1.15 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 1.19 0.69 0.81 0.00 0.00 254 V 8.00 3.89 2.37 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 1.26 0.00 0.00 1.03 0.00 0.00 255 D 8.50 4.45 0.00 2.91 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 0.00 256 F 8.54 4.23 0.00 3.42 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 0.00 257 G 8.70 3.62 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 0.00 0.00 0.00 258 T 8.25 4.12 4.44 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 1.25 0.00 0.00 259 E 8.09 4.08 0.00 2.01 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 2.24 2.19 0.00 260 W 7.80 3.97 0.00 2.83 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 261 F 8.37 4.50 0.00 3.24 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 *262 R 7.53 4.24 0.00 1.58 1.74 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 0.00 263 K 8.03 4.07 0.00 1.74 1.89 0.00 1.35 0.00 0.00 1.26 0.00 0.00 2.77 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.32 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.