NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.9673 8.2827 119.2409 53.6873 41.1224 176.2360 5 L 3.8621 7.9074 119.4325 57.1929 41.8167 176.8453 6 Y 3.9072 8.6379 119.6671 60.7427 39.2440 177.2840 7 F 4.2291 7.7572 116.9117 60.3635 39.4262 176.8513 8 Q 4.2948 8.6911 119.9146 59.1028 28.7151 179.2124 9 G 3.8198 8.0011 105.3182 45.1210 0.0000 175.3165 *11 S 4.3490 8.0636 117.1929 58.0099 64.3362 175.4013 12 D 4.3746 8.2054 120.0652 57.4096 40.3696 179.0445 13 V 3.5558 7.9670 118.7669 65.8518 31.5001 178.1011 14 I 3.7926 7.6327 119.0503 64.6068 37.1278 177.9741 15 E 4.0956 8.3280 120.1045 59.0474 29.3912 179.0740 16 G 3.5996 8.4321 106.4088 47.7811 0.0000 176.0182 17 R 4.3151 8.2487 122.0506 58.3213 30.1284 178.9018 18 L 4.0408 7.9900 120.3035 58.1553 42.1070 179.1446 19 K 4.3804 7.9925 119.6988 59.0648 31.7724 179.1669 20 E 4.0504 8.2028 118.7990 59.0395 29.1482 178.7063 21 L 4.3260 7.5418 117.0968 55.2971 41.9207 177.6998 22 G 3.8439 7.8349 107.4265 44.8748 0.0000 173.3329 23 F 4.9324 8.2783 118.0341 55.4438 41.8814 174.5049 24 T 4.7610 8.2598 113.3320 59.5078 71.0534 173.9227 25 L 4.3338 8.3326 123.7249 53.8108 43.1809 176.1479 26 P 4.6640 0.0000 0.0000 61.9549 30.6724 177.7635 *32 A 3.8971 8.4202 118.3283 52.0947 19.1500 175.2152 33 A 4.3613 7.5772 121.1871 51.6992 21.7549 176.3416 34 N 4.5972 8.7655 115.5803 54.7370 38.9200 175.1664 35 Y 4.9125 7.6809 115.6771 54.9603 40.1425 175.1001 36 V 4.3667 7.8747 113.5624 58.5022 35.3385 174.9414 37 P 4.6568 0.0000 0.0000 65.7570 32.0832 175.7597 38 F 5.5326 6.7946 109.8919 56.1756 40.9093 173.6076 39 T 4.9675 9.2526 109.6577 60.1530 72.5477 172.4843 40 I 5.1648 8.5150 122.5791 59.6903 40.4233 175.1277 41 S 4.5498 9.1533 121.0194 57.1844 65.4868 173.9672 42 G 3.8395 8.4947 118.5717 47.2378 0.0000 173.2950 43 N 4.9170 8.8671 121.2429 51.9994 37.5529 172.8793 44 L 5.0504 8.0474 119.3350 53.5365 44.2830 175.0167 45 L 5.1029 8.8759 126.3965 53.6533 44.3893 174.4743 46 Y 4.7815 9.3384 125.3190 56.6649 39.5900 174.7412 47 V 4.7913 8.6292 125.8280 61.1509 33.3143 175.6831 48 S 4.3597 9.1780 124.8042 58.4475 63.7531 174.5037 49 G 4.0424 8.7832 108.9047 46.7692 0.0000 172.5595 50 Q 4.8765 9.2961 124.8232 54.4042 31.3019 175.3966 51 L 4.9677 8.3702 122.6748 52.4564 44.3496 174.2067 52 P 4.3607 0.0000 0.0000 62.5799 33.0915 175.1595 *54 E 4.1908 8.6020 122.1522 57.4346 30.4821 175.7014 55 S 3.8457 9.7724 122.3613 59.7272 60.5733 173.3430 56 G 3.9154 8.4312 104.9211 45.6682 0.0000 173.9955 57 K 4.5428 7.5984 118.0265 53.9286 34.9261 176.1867 58 I 3.9272 8.1528 122.3697 61.3831 36.8559 176.1449 59 A 4.2106 8.7752 130.0838 53.5649 19.0987 177.4876 60 V 4.3980 7.6594 115.5663 61.3515 34.0779 174.1593 61 T 4.9362 8.5675 116.2659 60.5289 71.5701 173.6561 62 G 3.8505 9.0984 109.1638 44.7347 0.0000 172.0796 63 L 4.5972 8.7076 118.5656 53.1438 42.7391 177.0597 64 V 3.7198 8.5400 124.5830 64.0862 31.7370 176.8596 65 G 4.0161 9.0404 115.9901 45.3771 0.0000 172.9012 66 R 4.3913 7.4069 116.3650 57.5362 31.8874 175.6157 67 D 4.6396 8.5454 116.5437 55.0757 41.9362 177.3342 68 V 4.3570 7.2666 117.6739 60.1508 34.6752 174.4685 69 D 5.0662 8.2275 126.2779 51.9512 42.6626 177.6188 70 V 3.5324 8.1639 117.4193 66.1206 31.5381 177.4271 71 A 4.2833 7.9030 121.2827 54.8508 18.2706 179.6684 72 S 4.0774 8.7783 113.6859 61.6862 62.8302 176.8161 73 A 4.0195 8.2846 123.7316 55.1538 17.8967 179.6788 74 Q 4.1324 8.6769 117.0876 59.1549 28.7800 179.0030 75 R 4.3055 8.3017 120.6758 58.7085 30.0246 178.2476 76 A 3.9926 8.0871 120.4307 55.2863 18.3474 179.4735 77 A 3.9122 8.3561 119.4720 55.2449 17.9458 179.5107 78 E 3.7356 8.4240 117.4035 59.6788 29.5754 179.7284 79 L 3.8414 7.9185 118.6912 57.8221 41.5712 179.2076 80 C 4.1832 8.3688 116.8162 62.9364 28.1231 176.1130 81 A 3.8802 8.0204 122.1767 55.1104 17.9331 179.8066 82 V 3.4207 7.8516 117.0620 66.2451 31.5408 178.0869 83 N 4.3663 8.2595 116.2094 56.1174 38.2449 177.4132 84 I 3.6814 7.9761 121.5557 64.5720 37.1700 178.5109 85 L 3.9212 8.0258 119.3997 57.6020 41.3656 179.4602 86 A 3.9745 8.1712 120.9197 55.1714 18.2849 179.7664 87 Q 4.0145 8.0420 116.6825 59.0451 28.8351 178.9964 88 V 3.3526 7.9804 119.6041 65.6628 31.5195 177.9453 89 K 3.8146 8.2326 119.3091 59.3547 32.0628 178.3406 90 A 3.9397 7.8872 120.7590 55.4333 18.1156 179.3345 91 A 3.4258 7.4978 117.8123 54.5364 18.4071 178.8037 92 L 4.3851 7.6419 115.5749 53.4395 42.2703 176.5232 93 N 4.1875 9.1864 114.7094 54.3616 36.5844 175.4998 94 G 3.9111 8.8111 106.5121 45.1234 0.0000 174.0324 95 D 4.7270 7.6271 120.0785 52.2932 40.5373 176.3219 96 L 4.1795 8.5364 125.2516 56.1353 42.0163 179.4963 97 S 4.3196 7.7850 113.1335 60.3035 63.2570 175.3177 98 K 4.3799 7.9129 119.7064 56.7964 32.0792 176.7162 99 I 4.1020 7.4142 121.1765 61.5456 37.3863 175.7917 100 R 4.3583 8.9209 125.4244 58.2247 31.3197 177.3519 101 R 4.6652 7.4329 116.8816 55.1422 33.6250 173.9614 102 V 4.0870 8.7566 127.4031 62.8186 32.0279 176.5685 103 I 3.8612 8.7049 130.2342 63.9718 38.2041 176.4014 104 K 5.0599 7.7014 121.3339 55.2328 35.7668 173.9962 105 L 5.1199 8.7543 126.9262 52.9976 44.9534 175.0354 106 N 4.7877 8.7679 120.7700 51.5043 40.8795 174.0506 107 G 3.9421 8.7692 112.9510 44.5394 0.0000 171.8867 108 F 5.3334 9.1645 126.4765 55.6231 41.4880 175.1839 109 V 4.8041 8.7596 124.3638 60.6487 34.0423 174.4862 110 A 4.5029 9.1768 131.4590 52.3486 19.0913 176.2867 111 S 5.1392 8.5239 117.9402 56.8040 66.9974 174.7867 112 V 3.9906 8.4246 116.5254 60.6539 32.2121 175.9464 113 P 4.3155 0.0000 0.0000 65.2081 31.3782 177.6603 114 E 4.1581 8.1325 116.0679 57.3983 29.8853 176.1451 115 F 4.6013 8.1432 122.4869 57.5043 39.7977 175.5182 116 V 4.5312 7.0690 120.7655 60.1707 33.1612 175.3261 117 E 4.5986 5.9000 117.5565 55.6609 30.1238 178.6094 118 Q 4.2808 8.0740 120.4044 59.2924 28.8331 177.7456 119 H 4.2801 8.3389 115.9133 58.8260 28.3051 177.6049 120 L 3.9656 7.3919 120.2787 57.0980 41.8202 179.1208 121 V 3.7823 7.8261 118.3194 66.2903 31.5480 178.2778 122 I 3.8764 7.9409 118.8834 63.8140 36.8314 177.9218 123 N 4.3943 8.2575 118.0080 56.0419 38.1186 177.1148 124 G 3.7906 8.0774 107.0675 47.9365 0.0000 175.5517 125 A 3.9454 7.8479 122.8050 54.8908 18.5024 179.7217 126 S 4.1621 8.2073 113.7847 61.8901 62.8419 176.7825 127 N 4.3265 8.5637 119.5680 56.0822 38.2845 177.2218 128 L 3.9306 7.6513 121.8168 58.2249 42.2164 179.1169 129 I 3.6400 7.8836 119.4688 64.4365 37.0191 178.3669 130 A 4.0445 8.3099 121.8280 55.3841 17.9270 179.8148 131 T 3.8025 7.9794 113.7244 66.8744 68.6286 176.8477 132 V 3.9005 7.7461 112.7559 63.0758 31.8989 177.6539 133 L 4.4641 7.9229 116.7905 55.4593 43.1256 178.5835 134 G 3.8157 8.5737 107.8212 45.0913 0.0000 174.0131 135 E 3.9390 8.9218 118.3934 59.0336 29.8118 178.4000 136 P 4.3464 0.0000 0.0000 64.9673 31.5063 178.1554 137 G 3.6701 8.2246 106.5422 47.0726 0.0000 174.2567 138 R 4.1174 7.7380 120.5170 56.2435 30.5655 175.5066 139 H 5.3063 8.2188 116.5005 52.5325 32.1084 172.9286 140 A 4.3530 8.6886 121.4820 52.3978 19.6520 176.4174 141 R 5.1958 8.2206 117.5629 55.1664 33.4489 173.9295 142 A 4.9318 8.7572 124.9052 50.0722 22.7453 175.0828 143 A 5.0723 8.4653 121.1716 50.5167 21.8266 175.9315 144 V 4.5510 8.8782 115.1485 59.9584 36.6924 175.2204 145 G 4.6402 8.6562 109.5383 44.4266 0.0000 173.3904 *147 A 4.4604 8.4737 121.8776 51.6495 20.2631 176.6849 148 S 4.6280 7.2758 106.9100 58.4654 64.9865 175.4069 149 L 4.7641 7.4680 118.8564 52.0352 45.7561 174.1681 150 P 4.1914 0.0000 0.0000 64.6589 31.6264 176.7358 151 F 3.6325 8.8041 118.4803 58.0226 36.6949 174.7626 152 N 4.1920 8.4095 116.4558 54.1617 37.7339 173.6509 153 A 4.5150 7.9325 118.4078 52.6008 18.9804 179.0601 154 S 4.5463 8.6839 117.4213 60.3105 64.1155 174.5382 155 V 5.0648 7.5679 117.6440 61.3384 34.5611 173.6373 156 E 5.0876 9.6004 127.3447 54.6621 33.4721 174.2070 157 I 5.4337 9.0393 126.2000 58.6812 41.6881 174.3879 158 D 5.3276 8.5125 125.3158 52.0231 42.9913 174.3358 159 A 5.0446 8.2833 118.0706 50.9865 23.2602 175.3511 160 I 4.6213 8.7195 120.9190 59.3296 40.7058 174.9574 161 V 4.7423 8.5572 126.3226 60.9366 34.9244 173.7879 162 E 4.8530 9.3728 129.8138 55.6675 30.7166 175.1752 163 I 5.0994 8.5426 119.8885 58.8200 41.0815 174.5997 164 D 4.5779 9.0494 123.5829 54.2213 41.8470 177.5342 165 V 3.9679 8.0662 115.6611 61.8793 32.6514 174.1633 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 4 N 8.28 4.97 0.00 2.84 2.96 0.00 0.00 6.71 5.78 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 5 L 7.91 3.86 0.00 1.91 1.68 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.64 3.91 0.00 2.74 2.50 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 0.00 7 F 7.76 4.23 0.00 3.26 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 8 Q 8.69 4.29 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 G 8.00 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 *11 S 8.06 4.35 0.00 4.13 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 12 D 8.21 4.37 0.00 2.96 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.56 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 1.08 0.00 0.00 0.90 0.00 0.00 14 I 7.63 3.79 2.01 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 1.66 0.42 0.90 0.00 0.00 15 E 8.33 4.10 0.00 2.15 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 2.31 2.33 0.00 16 G 8.43 3.60 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 0.00 0.00 0.00 17 R 8.25 4.32 0.00 2.04 2.00 0.00 3.22 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 18 L 7.99 4.04 0.00 1.80 1.88 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.99 4.38 0.00 2.05 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 20 E 8.20 4.05 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 21 L 7.54 4.33 0.00 1.98 1.94 1.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.83 3.84 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 0.00 0.00 0.00 23 F 8.28 4.93 0.00 3.09 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 24 T 8.26 4.76 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 1.23 0.00 0.00 25 L 8.33 4.33 0.00 1.67 1.66 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.66 0.00 2.18 1.54 0.00 3.80 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 1.99 1.97 0.00 *32 A 8.42 3.90 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 33 A 7.58 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.77 4.60 0.00 2.83 2.93 0.00 0.00 6.65 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 35 Y 7.68 4.91 0.00 3.06 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 36 V 7.87 4.37 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 0.75 0.00 0.00 0.88 0.00 0.00 37 P 0.00 4.66 0.00 2.42 2.34 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 38 F 6.79 5.53 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 9.25 4.97 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 1.22 0.00 0.00 40 I 8.51 5.16 1.97 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 1.30 0.86 1.01 0.00 0.00 41 S 9.15 4.55 0.00 3.79 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 42 G 8.49 3.84 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 0.00 0.00 0.00 43 N 8.87 4.92 0.00 3.09 3.00 0.00 0.00 5.82 6.67 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 44 L 8.05 5.05 0.00 1.91 1.60 0.99 0.22 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 45 L 8.88 5.10 0.00 1.69 1.63 0.93 0.48 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 46 Y 9.34 4.78 0.00 2.98 2.99 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 47 V 8.63 4.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 48 S 9.18 4.36 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.78 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 50 Q 9.30 4.88 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 51 L 8.37 4.97 0.00 1.53 1.64 1.10 1.17 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 52 P 0.00 4.36 0.00 2.21 2.37 0.00 3.50 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 2.25 2.10 0.00 *54 E 8.60 4.19 0.00 2.10 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 2.31 2.41 0.00 55 S 9.77 3.85 0.00 4.01 3.89 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 56 G 8.43 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.60 4.54 0.00 1.72 1.68 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 58 I 8.15 3.93 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.95 0.00 0.00 59 A 8.78 4.21 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 60 V 7.66 4.40 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 1.05 0.00 0.00 0.95 0.00 0.00 61 T 8.57 4.94 4.33 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 1.32 0.00 0.00 62 G 9.10 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 63 L 8.71 4.60 0.00 1.68 1.57 0.92 1.33 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 64 V 8.54 3.72 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 0.01 0.00 0.00 0.79 0.00 0.00 65 G 9.04 4.02 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 0.00 0.00 0.00 66 R 7.41 4.39 0.00 1.72 1.95 0.00 3.23 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 67 D 8.55 4.64 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.27 4.36 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 1.07 0.00 0.00 0.94 0.00 0.00 69 D 8.23 5.07 0.00 2.98 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 70 V 8.16 3.53 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 0.98 0.00 0.00 1.16 0.00 0.00 71 A 7.90 4.28 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.78 4.08 0.00 4.00 3.92 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 0.00 0.00 0.00 73 A 8.28 4.02 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 74 Q 8.68 4.13 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 75 R 8.30 4.31 0.00 2.02 2.16 0.00 3.56 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 76 A 8.09 3.99 1.37 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 0.00 0.00 77 A 8.36 3.91 1.40 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 78 E 8.42 3.74 0.00 2.18 1.64 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 2.39 2.53 0.00 79 L 7.92 3.84 0.00 1.86 1.71 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.37 4.18 0.00 3.08 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 81 A 8.02 3.88 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 82 V 7.85 3.42 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 1.00 0.00 0.00 0.37 0.00 0.00 83 N 8.26 4.37 0.00 2.92 3.06 0.00 0.00 7.04 6.96 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 84 I 7.98 3.68 1.98 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 1.52 0.85 0.87 0.00 0.00 85 L 8.03 3.92 0.00 1.81 1.68 0.86 0.59 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 86 A 8.17 3.97 1.42 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 87 Q 8.04 4.01 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 88 V 7.98 3.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 89 K 8.23 3.81 0.00 1.89 1.91 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.43 7.81 90 A 7.89 3.94 1.50 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 0.00 0.00 0.00 91 A 7.50 3.43 0.29 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 92 L 7.64 4.39 0.00 1.67 1.70 0.92 0.41 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 93 N 9.19 4.19 0.00 2.83 2.85 0.00 0.00 7.12 7.69 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 94 G 8.81 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 95 D 7.63 4.73 0.00 2.75 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 96 L 8.54 4.18 0.00 1.76 1.67 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.78 4.32 0.00 4.05 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 98 K 7.91 4.38 0.00 1.94 1.81 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.54 7.81 99 I 7.41 4.10 1.93 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 1.24 0.42 0.91 0.00 0.00 100 R 8.92 4.36 0.00 1.76 1.97 0.00 3.40 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 101 R 7.43 4.67 0.00 1.89 1.70 0.00 3.29 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 102 V 8.76 4.09 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 0.78 0.00 0.00 0.89 0.00 0.00 103 I 8.70 3.86 1.92 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 1.22 0.94 0.87 0.00 0.00 104 K 7.70 5.06 0.00 1.80 1.52 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.40 1.49 7.81 105 L 8.75 5.12 0.00 1.55 1.40 0.70 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.77 4.79 0.00 2.66 2.20 0.00 0.00 6.55 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 0.00 107 G 8.77 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.16 5.33 0.00 3.05 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 0.00 109 V 8.76 4.80 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 1.04 0.00 0.00 1.02 0.00 0.00 110 A 9.18 4.50 1.31 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 0.00 0.00 111 S 8.52 5.14 0.00 3.84 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 0.00 112 V 8.42 3.99 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 0.71 0.00 0.00 1.03 0.00 0.00 113 P 0.00 4.32 0.00 2.06 2.14 0.00 3.71 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 2.05 2.13 0.00 114 E 8.13 4.16 0.00 2.00 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 2.33 2.37 0.00 115 F 8.14 4.60 0.00 3.08 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 0.00 116 V 7.07 4.53 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 0.87 0.00 0.00 0.79 0.00 0.00 117 E 5.90 4.60 0.00 1.74 1.78 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 2.17 2.00 0.00 118 Q 8.07 4.28 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.65 2.76 0.00 119 H 8.34 4.28 0.00 3.35 3.53 0.00 5.46 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 0.00 120 L 7.39 3.97 0.00 1.73 1.75 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.83 3.78 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.14 0.00 0.00 122 I 7.94 3.88 1.88 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 1.76 0.66 0.88 0.00 0.00 123 N 8.26 4.39 0.00 2.97 2.89 0.00 0.00 6.68 7.62 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 0.00 124 G 8.08 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 0.00 125 A 7.85 3.95 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 0.00 126 S 8.21 4.16 0.00 3.91 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 0.00 127 N 8.56 4.33 0.00 2.76 2.88 0.00 0.00 6.69 6.28 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 0.00 128 L 7.65 3.93 0.00 1.73 1.76 0.56 0.95 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 0.00 129 I 7.88 3.64 1.84 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 1.38 0.43 0.93 0.00 0.00 130 A 8.31 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 0.00 131 T 7.98 3.80 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 1.23 0.00 0.00 132 V 7.75 3.90 2.08 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 0.00 141 R 8.22 5.20 0.00 1.80 1.75 0.00 3.20 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 142 A 8.76 4.93 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 0.00 143 A 8.47 5.07 1.20 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 0.00 0.00 144 V 8.88 4.55 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 0.75 0.00 0.00 1.25 0.00 0.00 145 G 8.66 4.64 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 *147 A 8.47 4.46 1.31 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 0.00 0.00 148 S 7.28 4.63 0.00 3.92 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 0.00 149 L 7.47 4.76 0.00 1.89 1.57 1.09 1.03 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 0.00 150 P 0.00 4.19 0.00 2.35 1.93 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 151 F 8.80 3.63 0.00 3.24 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 0.00 152 N 8.41 4.19 0.00 3.01 2.89 0.00 0.00 7.08 7.73 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 0.00 153 A 7.93 4.52 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 0.00 154 S 8.68 4.55 0.00 3.82 3.89 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 0.00 155 V 7.57 5.06 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 0.80 0.00 0.00 0.95 0.00 0.00 156 E 9.60 5.09 0.00 2.15 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 2.47 2.52 0.00 157 I 9.04 5.43 1.84 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 0.84 0.14 0.86 0.00 0.00 158 D 8.51 5.33 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.28 5.04 1.15 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 0.00 160 I 8.72 4.62 1.65 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 0.20 0.80 0.44 0.00 0.00 161 V 8.56 4.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.85 0.00 0.00 162 E 9.37 4.85 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 2.27 2.24 0.00 163 I 8.54 5.10 1.82 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 1.37 0.82 0.85 0.00 0.00 164 D 9.05 4.58 0.00 2.49 2.54 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 0.00 165 V 8.07 3.97 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 0.65 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.