NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.7630 8.2348 115.3672 59.1496 64.1805 172.3735 3 N 4.3894 8.1140 120.4359 52.4978 42.9438 172.9918 4 T 4.2033 8.7019 117.9616 63.1838 70.3312 172.8910 5 L 4.5766 8.6625 121.7000 55.0304 44.5346 175.5782 6 F 4.9550 7.7406 118.3768 56.7561 43.4027 173.7350 7 D 4.5912 6.2121 120.5994 54.1227 43.1799 173.4854 8 D 4.3110 8.2495 123.8614 53.6709 45.8420 174.0526 9 I 4.9937 7.6226 122.0782 59.4431 40.4165 174.6771 10 F 5.3541 8.8999 124.8945 55.7192 42.2557 174.0403 11 Q 5.0181 8.5670 123.1907 54.2588 31.1264 174.7088 12 V 3.9300 8.4257 126.9576 63.5863 31.8883 176.3370 13 S 4.3756 8.7743 123.9681 60.5501 64.4266 174.7238 14 E 4.6561 7.8860 120.3997 54.6542 32.8242 173.8922 15 V 4.8081 8.4348 126.4584 61.2828 34.3513 174.5000 16 D 4.5553 8.6598 125.1934 51.6287 43.8519 174.2052 17 P 5.0895 0.0000 0.0000 61.4313 29.4591 179.3686 18 G 3.8537 7.7827 110.8147 46.5370 0.0000 172.4134 19 R 3.9263 8.0517 118.8947 57.3485 27.9295 175.7379 20 Y 4.9000 7.2136 114.5601 56.5790 40.6475 175.5876 21 N 4.9186 8.8769 118.8685 53.4048 39.6504 175.6287 22 K 4.6338 7.9010 115.5137 55.6632 36.1567 175.9362 23 V 4.7953 7.9880 119.1791 61.0786 33.7169 174.6284 24 C 5.1374 9.0488 125.3909 57.8553 31.8270 173.0100 25 R 4.6775 8.7633 124.1266 55.8130 31.0839 174.7032 26 I 4.9340 9.2534 127.6029 59.2015 40.9634 173.8109 27 E 5.2159 8.6360 127.7348 54.8644 32.9653 174.7798 28 A 4.7951 8.4270 122.4566 51.4129 23.5921 174.7990 29 A 5.3386 8.1530 120.4528 50.0551 23.0275 175.7051 30 S 4.6015 8.6709 113.8140 58.4340 62.7869 174.6870 31 T 4.1450 8.4762 121.2765 65.3745 68.1639 175.4792 32 T 4.0942 6.7450 117.8831 65.0360 69.0957 174.7850 33 Q 4.2015 7.7678 123.8544 56.3664 29.9440 176.1864 34 D 4.7308 8.6511 120.5493 54.6063 41.5212 176.9530 35 Q 4.4218 7.9350 116.1370 56.0112 29.8483 174.5994 36 C 5.4787 7.7490 120.5662 58.0473 33.5056 172.3477 37 K 5.3120 8.4728 123.6641 55.2750 37.4158 174.7532 38 L 4.7137 8.5821 122.0787 54.4693 45.9429 174.0014 39 T 4.7834 9.1693 123.6463 61.7210 71.1334 172.8039 40 L 5.1113 8.8097 128.6791 53.2844 45.8678 174.7347 41 D 5.1634 9.1023 126.7313 53.4720 41.7223 175.9960 42 I 4.5890 8.8355 124.5522 59.1528 41.4828 174.3893 43 N 4.9907 9.2284 124.6243 53.5706 39.5162 175.3107 44 V 4.3606 9.1560 126.1682 63.1485 31.5765 175.9029 45 E 4.3566 8.8557 120.1453 57.9989 30.1739 176.6675 46 L 4.3338 8.0145 116.7178 55.7955 42.3858 176.4474 47 F 4.8714 7.5322 115.9574 57.0068 40.6405 170.8531 48 P 4.1142 0.0000 0.0000 61.7934 31.7733 176.4813 49 V 3.8878 7.7945 122.1351 60.7549 32.5847 174.9102 50 A 4.2936 8.3347 130.6887 50.6001 20.0664 176.0656 51 A 4.0084 8.3015 121.3171 53.7368 18.8181 177.6796 52 Q 3.5902 8.5379 121.4302 57.1806 26.9392 173.5206 53 D 4.9060 7.8233 117.2579 53.6056 43.6701 176.0656 54 S 4.8732 8.5927 113.8084 56.9832 64.8457 173.4765 55 L 5.0128 8.7435 124.5000 53.0783 45.1983 175.6282 56 T 5.1265 8.2022 118.0549 62.0176 70.7685 173.8009 57 V 5.0737 8.9310 124.9800 61.7758 35.2629 174.4449 58 T 5.0505 8.4017 121.9492 61.6107 72.3727 172.1187 59 I 4.4335 8.5215 119.0417 58.4726 40.4570 171.6007 60 A 3.9359 7.9280 128.9352 51.8930 18.9176 177.8796 61 S 4.8807 8.1222 115.1162 58.0287 64.2639 174.5804 62 S 4.2289 7.7342 114.8636 59.8286 65.2412 173.6962 63 L 3.6931 8.3351 114.0457 56.4316 38.8902 174.8588 *76 T 3.9903 7.4006 112.1497 64.4462 70.0402 176.4964 77 R 3.9332 8.5535 126.0862 55.1734 29.2082 175.4645 78 S 4.4402 8.3734 112.2964 57.7250 63.8425 173.8957 79 W 4.2862 8.8085 133.2872 57.6452 31.0489 175.2284 80 R 4.2578 7.5436 123.5874 53.3718 32.7996 173.6905 81 P 3.0742 0.0000 0.0000 62.4798 31.8163 175.7946 82 P 4.1637 0.0000 0.0000 63.6197 29.8357 179.5100 83 Q 3.1971 9.3667 130.6736 58.1069 28.4477 174.2879 84 A 4.4949 8.4865 119.7587 52.0272 18.5409 178.1904 85 G 4.0265 7.4228 109.4112 49.7577 0.0000 174.0933 86 D 4.5784 7.6342 118.2211 51.8848 41.5058 173.5470 87 R 4.6315 7.7649 123.1899 54.2385 33.4794 176.1678 88 S 4.3894 8.2303 116.1404 58.1429 60.5466 171.7343 89 L 4.1987 7.8577 126.2395 54.8515 41.7058 177.0990 90 A 4.3605 8.5869 127.0013 52.6506 18.3851 177.4650 91 D 4.9675 7.7705 117.7864 54.5179 39.0643 176.3890 92 D 4.6338 7.7619 112.6008 55.0608 41.2646 176.5278 93 Y 4.8114 7.4265 114.0724 56.5932 42.3068 175.3546 94 D 4.5277 8.7699 122.2742 56.9625 41.9198 176.4507 95 Y 4.6530 8.5213 119.6260 55.7430 41.9605 174.5415 96 V 5.1163 8.2814 125.0749 61.7300 35.1900 173.8933 97 M 4.9752 8.7864 124.2737 54.0276 37.2433 173.2047 98 Y 4.8787 8.3027 120.1770 56.5330 42.5920 174.7859 99 G 3.9584 7.2166 110.3581 46.3410 0.0000 172.0616 100 T 4.8852 8.5274 115.5959 60.2542 72.1277 173.3920 101 A 3.7383 7.6454 129.7542 52.0383 18.8121 176.6949 102 Y 4.8265 7.8356 118.0428 56.1352 39.6753 175.2946 103 K 4.3460 7.1178 118.7857 55.8967 35.7586 173.8292 104 F 4.4197 9.1040 125.1302 55.8426 40.2848 173.7134 105 E 4.6359 8.6725 125.0837 54.5990 31.6322 174.2926 106 E 4.8357 8.7162 126.1967 54.5121 30.7696 176.9373 107 V 3.9472 8.5836 128.5601 63.1434 31.7345 175.0057 108 S 3.4941 8.6683 116.6140 58.7219 64.8703 174.2833 109 K 4.0471 9.2955 121.6163 57.1635 29.7260 176.8428 110 D 4.7537 8.8250 118.8476 53.6124 41.0044 175.2862 111 L 4.6337 7.9630 119.8385 54.1748 43.8037 175.8299 112 I 4.9061 8.4883 123.9381 59.4747 39.6190 174.1298 113 A 4.9864 8.3709 129.4398 50.1656 20.2530 176.8751 114 V 3.7762 7.7425 115.6051 60.2559 34.3356 174.6165 115 Y 4.6429 7.8238 119.7402 56.3914 40.7630 174.3973 116 Y 4.7848 8.6937 121.9316 55.9299 41.7020 174.5838 117 S 4.7787 8.8658 118.3755 56.1326 64.8109 174.4548 118 F 4.6324 8.6939 130.4794 56.9769 37.2491 176.1425 119 G 3.7112 8.6502 105.2635 46.4278 0.0000 170.9969 120 G 4.1007 8.3315 116.8091 45.5307 0.0000 171.6442 121 L 4.1326 7.5643 119.7279 54.3915 43.0052 176.0479 122 L 5.1946 8.5167 122.0862 53.6676 45.5771 174.6725 123 M 5.2495 8.6238 117.6550 54.9893 36.3307 173.3300 124 R 4.7719 9.3320 124.6127 54.5806 33.9361 173.3450 125 L 5.0034 8.1085 127.7463 53.0822 45.6546 174.4897 126 E 4.6496 9.6714 125.1089 53.2139 33.1462 175.8943 127 G 4.2637 7.3666 112.5494 45.9484 0.0000 170.5032 128 N 4.5741 8.3061 114.9127 55.3134 41.0477 175.6511 129 Y 4.4939 8.3806 114.8614 60.2477 38.2001 178.0609 130 R 4.4112 7.0850 118.5979 55.0634 27.7696 175.9452 131 N 4.6839 8.0031 120.1201 55.7624 40.0034 176.6415 132 L 4.3298 7.8955 115.0540 55.7187 42.2903 176.9286 133 N 4.6438 7.9534 115.1135 55.0487 39.6506 175.1617 134 N 4.5804 7.7459 118.4547 53.1856 38.2671 175.4817 135 L 4.3113 8.4609 123.4703 54.7489 42.4007 176.7165 136 K 4.5347 8.1511 118.0136 56.9248 32.4706 177.1595 137 Q 4.5054 7.8160 117.0275 54.5796 30.4761 176.8053 138 E 3.6653 8.7660 121.4586 59.4411 29.8829 176.5867 139 N 4.7300 8.3815 118.3858 53.5841 38.3101 174.5159 140 A 4.7527 8.2782 124.8019 51.5066 22.5993 175.2340 141 Y 5.0054 9.1461 121.1036 56.9765 41.2445 174.2698 142 L 4.8803 8.8635 120.6824 53.9657 46.0954 174.7657 143 L 5.1302 8.1927 122.9536 53.3072 46.3157 175.2770 144 I 5.8796 8.8994 121.5145 59.8461 42.0132 174.2006 145 R 4.8709 8.3049 120.4472 55.3371 33.6206 175.3441 146 R 4.2183 8.6810 117.3231 56.9104 30.0792 176.4650 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 8.23 4.76 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.11 4.39 0.00 2.72 2.72 0.00 0.00 7.05 6.17 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 4 T 8.70 4.20 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 1.27 0.00 0.00 5 L 8.66 4.58 0.00 1.78 1.64 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.74 4.95 0.00 3.21 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 7 D 6.21 4.59 0.00 2.55 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.25 4.31 0.00 2.37 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 0.00 0.00 0.00 9 I 7.62 4.99 1.76 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 0.55 0.89 0.00 0.00 10 F 8.90 5.35 0.00 3.07 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 11 Q 8.57 5.02 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 12 V 8.43 3.93 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 0.90 0.00 0.00 0.94 0.00 0.00 13 S 8.77 4.38 0.00 3.94 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 14 E 7.89 4.66 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 15 V 8.43 4.81 2.06 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 0.84 0.00 0.00 0.96 0.00 0.00 16 D 8.66 4.56 0.00 2.83 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 17 P 0.00 5.09 0.00 2.10 2.03 0.00 3.74 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 2.00 2.08 0.00 18 G 7.78 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 19 R 8.05 3.93 0.00 1.62 1.68 0.00 3.19 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 20 Y 7.21 4.90 0.00 3.28 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 21 N 8.88 4.92 0.00 2.74 2.87 0.00 0.00 6.74 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 22 K 7.90 4.63 0.00 1.67 1.78 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.73 1.44 7.81 23 V 7.99 4.80 1.79 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 0.69 0.00 0.00 0.85 0.00 0.00 24 C 9.05 5.14 0.00 2.83 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 25 R 8.76 4.68 0.00 2.15 1.82 0.00 3.06 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 26 I 9.25 4.93 1.80 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 1.18 1.63 0.86 0.00 0.00 27 E 8.64 5.22 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 28 A 8.43 4.80 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 29 A 8.15 5.34 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 30 S 8.67 4.60 0.00 3.75 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 31 T 8.48 4.14 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 1.20 0.00 0.00 32 T 6.74 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 33 Q 7.77 4.20 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 34 D 8.65 4.73 0.00 2.68 2.72 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 35 Q 7.93 4.42 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 36 C 7.75 5.48 0.00 3.22 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 37 K 8.47 5.31 0.00 1.68 1.62 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 38 L 8.58 4.71 0.00 1.11 1.09 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.17 4.78 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 40 L 8.81 5.11 0.00 1.61 1.33 1.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.10 5.16 0.00 2.69 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 42 I 8.84 4.59 1.75 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.70 0.76 0.00 0.00 43 N 9.23 4.99 0.00 2.90 2.93 0.00 0.00 6.85 7.22 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 44 V 9.16 4.36 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 0.74 0.00 0.00 0.87 0.00 0.00 45 E 8.86 4.36 0.00 1.98 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 2.29 0.00 46 L 8.01 4.33 0.00 1.66 1.65 0.83 0.74 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 47 F 7.53 4.87 0.00 3.13 3.56 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 48 P 0.00 4.11 0.00 1.99 1.90 0.00 3.73 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 2.03 2.22 0.00 49 V 7.79 3.89 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 0.78 0.00 0.00 0.30 0.00 0.00 50 A 8.33 4.29 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.30 4.01 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 52 Q 8.54 3.59 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 53 D 7.82 4.91 0.00 2.71 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 54 S 8.59 4.87 0.00 3.87 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 55 L 8.74 5.01 0.00 1.80 1.72 1.01 0.62 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 56 T 8.20 5.13 4.41 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 1.34 0.00 0.00 57 V 8.93 5.07 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 1.05 0.00 0.00 1.11 0.00 0.00 58 T 8.40 5.05 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 1.28 0.00 0.00 59 I 8.52 4.43 1.96 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.37 0.91 0.00 0.00 60 A 7.93 3.94 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 61 S 8.12 4.88 0.00 4.25 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.73 4.23 0.00 3.93 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 63 L 8.34 3.69 0.00 1.64 1.64 0.91 0.76 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 *76 T 7.40 3.99 4.30 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 1.26 0.00 0.00 77 R 8.55 3.93 0.00 1.99 2.01 0.00 3.22 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 78 S 8.37 4.44 0.00 4.04 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 79 W 8.81 4.29 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.54 4.26 0.00 1.54 1.56 0.00 3.17 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 81 P 0.00 3.07 0.00 1.79 1.40 0.00 3.33 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 82 P 0.00 4.16 0.00 2.11 1.51 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 83 Q 9.37 3.20 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 84 A 8.49 4.49 1.21 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 85 G 7.42 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 86 D 7.63 4.58 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 4.63 0.00 1.72 1.71 0.00 3.24 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 88 S 8.23 4.39 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.86 4.20 0.00 1.76 1.77 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.59 4.36 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 91 D 7.77 4.97 0.00 2.87 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 92 D 7.76 4.63 0.00 2.48 2.31 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 93 Y 7.43 4.81 0.00 2.89 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 94 D 8.77 4.53 0.00 2.21 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 0.00 0.00 0.00 95 Y 8.52 4.65 0.00 2.68 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 96 V 8.28 5.12 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 1.02 0.00 0.00 0.99 0.00 0.00 97 M 8.79 4.98 0.00 1.75 1.13 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 98 Y 8.30 4.88 0.00 2.66 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 99 G 7.22 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 0.00 100 T 8.53 4.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 101 A 7.65 3.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.84 4.83 0.00 2.81 2.86 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 0.00 103 K 7.12 4.35 0.00 1.64 1.40 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 104 F 9.10 4.42 0.00 2.81 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 0.00 105 E 8.67 4.64 0.00 2.24 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 2.29 2.33 0.00 106 E 8.72 4.84 0.00 1.91 1.89 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 2.30 2.34 0.00 107 V 8.58 3.95 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 0.79 0.00 0.00 0.90 0.00 0.00 108 S 8.67 3.49 0.00 4.17 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 0.00 109 K 9.30 4.05 0.00 1.95 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.42 7.81 110 D 8.82 4.75 0.00 2.74 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 0.00 111 L 7.96 4.63 0.00 1.94 1.60 0.97 0.66 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 0.00 112 I 8.49 4.91 1.86 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 1.21 0.62 0.95 0.00 0.00 113 A 8.37 4.99 0.96 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 0.00 114 V 7.74 3.78 1.62 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 0.01 0.00 0.00 0.79 0.00 0.00 115 Y 7.82 4.64 0.00 2.23 1.62 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 0.00 116 Y 8.69 4.78 0.00 2.63 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 0.00 0.00 0.00 117 S 8.87 4.78 0.00 3.66 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.69 4.63 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.65 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 0.00 120 G 8.33 4.10 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 0.00 0.00 0.00 121 L 7.56 4.13 0.00 1.80 1.89 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.52 5.19 0.00 1.82 1.67 0.95 1.04 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 0.00 123 M 8.62 5.25 0.00 2.22 2.04 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 2.41 2.43 0.00 124 R 9.33 4.77 0.00 1.74 1.55 0.00 3.11 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.00 125 L 8.11 5.00 0.00 1.39 1.13 0.69 -0.12 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 0.00 126 E 9.67 4.65 0.00 1.98 1.68 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 2.14 2.12 0.00 127 G 7.37 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 0.00 128 N 8.31 4.57 0.00 2.93 2.83 0.00 0.00 6.81 7.54 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 0.00 129 Y 8.38 4.49 0.00 3.13 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 0.00 130 R 7.08 4.41 0.00 2.13 2.28 0.00 2.78 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.18 0.00 131 N 8.00 4.68 0.00 2.78 2.95 0.00 0.00 7.25 7.85 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 0.00 132 L 7.90 4.33 0.00 1.68 1.75 0.95 1.00 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 0.00 133 N 7.95 4.64 0.00 2.82 2.96 0.00 0.00 7.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.75 4.58 0.00 3.09 3.12 0.00 0.00 7.21 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 0.00 135 L 8.46 4.31 0.00 1.74 1.65 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.15 4.53 0.00 1.56 1.59 0.00 1.43 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 1.02 7.81 137 Q 7.82 4.51 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 138 E 8.77 3.67 0.00 2.02 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 2.43 2.33 0.00 139 N 8.38 4.73 0.00 2.93 3.09 0.00 0.00 7.03 7.35 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 0.00 140 A 8.28 4.75 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.15 5.01 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.86 4.88 0.00 1.53 0.97 0.87 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.19 5.13 0.00 0.68 0.31 0.76 0.52 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 0.00 144 I 8.90 5.88 1.84 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 0.92 1.00 0.96 0.00 0.00 145 R 8.30 4.87 0.00 1.78 2.08 0.00 2.91 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 146 R 8.68 4.22 0.00 2.04 2.03 0.00 3.26 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.