NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3365 8.3293 119.1209 54.0747 29.8142 174.6651 3 P 4.4027 0.0000 0.0000 61.9305 32.4488 175.1274 4 F 5.0702 9.2911 122.6967 56.7441 41.5111 174.4475 5 R 4.7355 9.5400 125.7234 55.0011 31.4568 175.6560 6 V 4.5878 8.3381 124.0281 61.1554 34.8328 174.1042 7 T 4.9241 8.7537 124.1887 61.6260 71.3596 172.7698 8 L 4.9751 9.2274 128.8516 53.3583 44.6799 175.1879 9 V 4.7831 8.9937 127.8801 61.4965 32.9782 173.7133 10 E 5.0894 8.7343 128.1871 55.0218 32.4526 174.4789 11 D 4.7852 8.8845 124.9538 53.4999 40.7935 176.6098 12 E 4.2238 8.3780 121.6376 55.2065 29.9746 175.4391 13 P 4.3076 0.0000 0.0000 65.1988 31.2455 178.8359 14 S 4.2908 7.9566 114.2591 60.8745 63.0288 176.0562 15 H 4.3018 8.3225 119.3653 58.2855 28.5573 177.3346 16 A 4.0329 8.3031 123.0547 55.5072 18.2430 179.8627 17 T 3.8836 8.3033 108.7686 64.6860 68.2642 176.5101 18 L 4.1018 7.7483 122.9435 58.0943 42.1388 178.9967 19 I 3.8602 8.1357 120.0338 64.5743 37.0699 178.1635 20 Q 3.9512 8.5582 120.7471 59.3762 28.6378 177.8486 21 Y 4.0490 8.2264 120.6342 60.9211 38.8025 177.7293 22 H 4.0885 8.0989 116.3620 58.4083 28.8617 177.3796 23 L 3.9763 8.1243 121.1056 58.3494 41.4086 179.6044 24 N 4.3036 8.0732 115.7232 55.9881 38.2058 177.1674 25 Q 4.0417 7.3339 118.0938 57.3220 28.9736 177.1064 26 L 4.5291 7.5872 118.5957 53.9108 41.9871 176.6114 27 G 3.7877 7.7512 106.6488 46.0908 0.0000 173.6743 28 A 4.5760 7.9218 120.6576 50.8005 20.2825 178.2520 29 E 4.2011 8.8028 122.4994 55.4042 30.3222 175.0218 30 V 4.7900 8.1798 127.2135 61.5034 33.5893 174.7798 31 T 4.5345 8.7080 124.3991 61.7051 71.0450 173.1274 32 V 4.6426 8.3424 126.2873 61.4229 33.6649 174.1462 33 H 5.1249 9.1464 126.1147 53.5628 30.3882 173.6988 34 P 4.7365 0.0000 0.0000 63.7968 32.0458 176.0708 35 S 4.7458 7.6016 113.6753 56.3350 66.9494 175.0538 36 G 3.7262 8.9439 108.4704 48.0479 0.0000 176.1433 37 S 4.2379 8.7487 117.4445 61.1571 62.6105 176.3903 38 A 4.0606 7.9874 122.7967 55.1918 18.5859 179.0885 39 F 4.0021 8.3536 118.9849 61.3099 39.4836 176.8756 40 F 3.8168 8.7224 120.7885 61.3695 39.0508 177.0390 41 Q 4.1776 8.1502 114.8815 58.3161 28.4257 176.4644 42 H 4.7496 7.0771 117.1004 56.0811 29.8080 176.8403 43 R 3.2271 7.8393 122.5755 59.1213 29.8941 179.0188 44 S 4.0531 7.8254 112.1292 61.1250 62.8173 175.2970 45 Q 4.2761 8.2120 118.9463 56.1432 27.9720 177.2349 46 L 4.2625 7.7573 119.0415 56.4545 41.9300 178.9411 47 S 4.4739 7.5521 114.0584 60.3029 62.8696 174.7992 48 T 4.4454 7.3243 107.7543 61.1446 69.4626 173.9095 49 C 4.3484 7.4549 122.5804 59.3739 32.1147 172.7223 50 D 4.7285 9.2348 126.8622 56.2204 42.2213 176.4555 51 L 5.0044 7.5909 119.5397 53.2130 45.9775 174.5827 52 L 4.9840 9.0528 128.7883 53.4999 44.3899 174.7371 53 I 4.8616 8.7879 128.1209 59.8174 39.1965 175.2618 54 V 4.8192 8.4686 119.9081 59.3763 35.7183 175.0408 55 S 4.7215 8.5243 119.3634 57.9567 62.5848 173.9344 56 D 4.5530 8.7578 126.3365 55.6351 41.4745 176.2134 57 Q 4.6090 7.5511 116.1988 55.1106 28.5165 175.4473 58 L 4.2542 7.7721 118.0871 55.9166 42.5634 179.4954 59 V 3.4874 8.8237 116.6120 63.4202 31.6140 176.7432 60 D 4.9176 7.9056 116.1140 52.5160 40.2194 175.3649 61 L 4.5277 7.3969 121.1538 52.8683 45.5470 175.7023 62 S 4.4467 8.5763 120.9382 57.9501 65.4088 175.0805 63 I 3.5174 8.1573 122.9575 64.2381 37.5818 178.3770 64 F 4.2117 7.6270 118.1615 60.6079 38.9232 177.5786 65 S 4.2095 8.1100 114.2867 61.4579 62.6571 176.3654 66 L 4.0647 8.2708 123.3367 58.4827 41.9188 179.2205 67 L 4.0581 8.3263 118.9077 57.6543 41.2504 179.0926 68 D 4.5446 7.9865 118.1784 56.8434 40.9729 178.4845 69 I 3.9933 8.0456 120.8497 64.2521 37.1505 178.4626 70 V 3.7103 8.1603 119.2371 65.9913 31.1647 178.2051 71 K 4.2946 7.8457 116.4511 58.9692 31.9015 178.7107 72 E 4.1499 7.7260 118.2502 57.8637 29.7301 177.4369 73 Q 4.2468 7.1530 117.6799 55.7673 29.4030 176.3385 74 T 4.1014 8.3459 110.3484 62.8296 69.5800 174.7065 75 K 4.4919 7.9464 122.8443 54.3879 33.9967 174.6039 76 Q 4.6351 8.4772 125.3651 53.4164 30.5916 173.7234 77 P 4.6606 0.0000 0.0000 62.1635 32.8650 176.0602 78 S 4.3410 8.3957 115.9717 58.9399 64.0672 173.7870 79 V 4.7923 8.8293 123.1012 60.9157 34.7285 173.8790 80 L 4.9305 9.1121 129.2705 53.3196 44.8660 174.7485 81 I 4.8033 8.3182 127.4306 59.5420 39.7696 174.6797 82 L 4.9072 8.8040 128.0652 54.1735 42.8712 175.8609 83 T 4.9384 8.8952 118.2346 61.0587 70.9001 173.5107 84 T 4.2358 8.6470 118.6781 65.1724 69.8309 176.2189 85 G 3.3233 7.3792 111.8822 44.8271 0.0000 173.9435 86 R 3.8854 8.0867 129.7955 55.9879 28.7453 178.3320 *89 L 3.4967 8.1878 123.5801 52.4463 41.4607 173.8628 90 I 3.7282 8.1391 128.7105 61.3901 37.2288 177.0717 91 E 4.2000 8.9090 122.1381 55.8861 29.0145 172.3130 92 S 4.9376 8.4894 119.0803 55.6208 65.1722 173.8715 93 S 4.6473 8.4049 117.5243 57.9136 63.9441 174.2625 94 E 4.1051 7.9278 120.7189 56.8370 30.0611 176.2746 95 H 5.0418 8.4392 117.9597 56.0786 29.4742 174.5355 96 N 5.0809 8.0377 112.9642 52.4288 39.4262 173.4942 97 L 4.7324 7.9386 119.4837 54.1023 42.8700 176.0716 98 S 4.8641 8.7238 119.2472 56.8491 67.0668 172.6080 99 Y 5.2631 8.5136 117.7074 56.3091 41.9818 175.0353 100 L 4.6401 8.8954 123.5949 53.3973 45.4229 175.0143 101 Q 4.8151 8.8728 128.5954 55.6371 29.5283 175.5055 102 K 4.5517 9.3338 129.7442 55.8001 33.1635 176.2486 103 P 4.1498 0.0000 0.0000 62.2240 31.2049 175.4184 104 F 5.1163 7.5329 116.7677 53.6839 40.9058 174.7523 105 A 4.3608 8.7591 124.4482 51.8542 19.3570 178.9830 106 I 3.8874 8.4856 122.1220 64.4192 37.0974 179.0470 107 S 4.1640 8.1358 114.7915 61.5788 62.7145 176.4128 108 E 3.9358 8.0596 122.2575 58.9162 29.1995 178.9110 109 L 3.6322 7.7651 119.8805 58.3145 42.1828 179.1634 110 R 3.9413 8.0387 117.5164 58.6166 29.9127 178.9091 111 A 3.4496 8.1371 120.8130 54.8223 18.1685 179.0785 112 A 4.0399 7.6622 117.9054 55.7227 18.7556 179.6106 113 I 3.9073 7.8104 117.5752 64.7906 37.3603 178.5008 114 D 4.2352 7.9112 119.5926 57.4459 40.3997 177.9310 115 Y 4.6739 7.8394 114.9701 59.5751 37.9807 176.4684 116 H 4.8003 7.6729 116.1917 54.4652 29.8682 174.9265 117 K 3.2998 7.1413 120.7476 54.9254 32.4382 174.9897 118 P 4.2089 0.0000 0.0000 62.7952 32.2467 176.4962 119 S 4.3704 8.4102 115.0111 58.8201 62.9735 174.3802 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 Q 8.33 4.34 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 P 0.00 4.40 0.00 2.28 2.11 0.00 3.71 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 2.00 2.03 0.00 4 F 9.29 5.07 0.00 2.96 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 5 R 9.54 4.74 0.00 1.91 1.78 0.00 3.22 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 6 V 8.34 4.59 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 0.96 0.00 0.00 -0.00 0.00 0.00 7 T 8.75 4.92 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 1.37 0.00 0.00 8 L 9.23 4.98 0.00 1.66 1.48 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.99 4.78 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 0.81 0.00 0.00 0.91 0.00 0.00 10 E 8.73 5.09 0.00 1.94 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 2.45 0.00 11 D 8.88 4.79 0.00 2.81 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 12 E 8.38 4.22 0.00 1.80 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 0.00 2.20 2.24 0.00 13 P 0.00 4.31 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 14 S 7.96 4.29 0.00 4.06 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 0.00 15 H 8.32 4.30 0.00 3.32 3.44 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.30 4.03 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 17 T 8.30 3.88 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 1.25 0.00 0.00 18 L 7.75 4.10 0.00 1.85 1.96 0.92 1.09 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 19 I 8.14 3.86 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.94 0.00 0.00 20 Q 8.56 3.95 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 21 Y 8.23 4.05 0.00 3.10 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 22 H 8.10 4.09 0.00 3.45 3.36 0.00 5.70 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 23 L 8.12 3.98 0.00 1.80 1.69 0.88 0.76 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 24 N 8.07 4.30 0.00 2.64 2.77 0.00 0.00 7.10 7.41 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 25 Q 7.33 4.04 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 26 L 7.59 4.53 0.00 1.67 1.71 0.95 0.86 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 27 G 7.75 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 28 A 7.92 4.58 1.06 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 0.00 0.00 29 E 8.80 4.20 0.00 2.15 1.82 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 2.27 2.12 0.00 30 V 8.18 4.79 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 0.80 0.00 0.00 0.90 0.00 0.00 31 T 8.71 4.53 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 1.05 0.00 0.00 32 V 8.34 4.64 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 0.81 0.00 0.00 0.91 0.00 0.00 33 H 9.15 5.12 0.00 3.20 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.74 0.00 2.21 2.19 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 35 S 7.60 4.75 0.00 4.23 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 36 G 8.94 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 0.00 0.00 0.00 37 S 8.75 4.24 0.00 3.92 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 38 A 7.99 4.06 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 39 F 8.35 4.00 0.00 3.17 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 40 F 8.72 3.82 0.00 3.30 3.18 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 41 Q 8.15 4.18 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.61 2.11 0.00 42 H 7.08 4.75 0.00 3.12 3.24 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.84 3.23 0.00 1.49 1.61 0.00 2.74 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.02 0.00 44 S 7.83 4.05 0.00 3.92 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 45 Q 8.21 4.28 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 46 L 7.76 4.26 0.00 1.88 1.71 1.00 0.78 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 S 7.55 4.47 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 48 T 7.32 4.45 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 1.20 0.00 0.00 49 C 7.45 4.35 0.00 3.00 3.04 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 50 D 9.23 4.73 0.00 2.85 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 51 L 7.59 5.00 0.00 1.81 1.36 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.05 4.98 0.00 1.77 1.47 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.79 4.86 1.82 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 1.15 0.40 0.87 0.00 0.00 54 V 8.47 4.82 1.90 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 0.47 0.00 0.00 0.79 0.00 0.00 55 S 8.52 4.72 0.00 4.09 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.76 4.55 0.00 3.04 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 57 Q 7.55 4.61 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 58 L 7.77 4.25 0.00 1.92 1.78 0.83 0.91 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 59 V 8.82 3.49 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 0.72 0.00 0.00 1.01 0.00 0.00 60 D 7.91 4.92 0.00 2.73 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 61 L 7.40 4.53 0.00 1.59 1.53 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.58 4.45 0.00 4.29 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 63 I 8.16 3.52 1.65 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 1.45 1.12 0.08 0.00 0.00 64 F 7.63 4.21 0.00 3.19 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 65 S 8.11 4.21 0.00 4.11 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 66 L 8.27 4.06 0.00 1.75 1.75 0.58 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.33 4.06 0.00 1.90 1.73 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.99 4.54 0.00 2.97 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 69 I 8.05 3.99 2.33 0.00 0.00 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 1.64 1.57 0.95 0.00 0.00 70 V 8.16 3.71 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 1.08 0.00 0.00 1.15 0.00 0.00 71 K 7.85 4.29 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.62 7.81 72 E 7.73 4.15 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 73 Q 7.15 4.25 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 74 T 8.35 4.10 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 1.20 0.00 0.00 75 K 7.95 4.49 0.00 1.70 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.42 7.81 76 Q 8.48 4.64 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 77 P 0.00 4.66 0.00 2.08 2.24 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 78 S 8.40 4.34 0.00 4.01 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 79 V 8.83 4.79 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 0.94 0.00 0.00 0.94 0.00 0.00 80 L 9.11 4.93 0.00 1.55 1.34 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.32 4.80 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.20 0.97 0.00 0.00 82 L 8.80 4.91 0.00 1.65 1.74 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.90 4.94 4.36 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 1.27 0.00 0.00 84 T 8.65 4.24 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 1.23 0.00 0.00 85 G 7.38 3.32 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 0.00 86 R 8.09 3.89 0.00 1.90 2.16 0.00 3.30 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.00 *89 L 8.19 3.50 0.00 1.68 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.14 3.73 2.04 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 1.01 0.89 1.04 0.00 0.00 91 E 8.91 4.20 0.00 1.99 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 0.00 2.23 1.86 0.00 92 S 8.49 4.94 0.00 3.82 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 93 S 8.40 4.65 0.00 3.97 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 94 E 7.93 4.11 0.00 2.08 1.90 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 2.30 2.27 0.00 95 H 8.44 5.04 0.00 3.10 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.04 5.08 0.00 2.72 2.98 0.00 0.00 6.06 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 97 L 7.94 4.73 0.00 1.44 1.20 0.93 0.73 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 98 S 8.72 4.86 0.00 3.69 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 99 Y 8.51 5.26 0.00 2.77 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 0.00 100 L 8.90 4.64 0.00 1.62 1.37 0.82 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.87 4.82 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 102 K 9.33 4.55 0.00 1.71 1.69 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.74 7.81 103 P 0.00 4.15 0.00 2.09 1.85 0.00 3.68 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 1.94 1.59 0.00 104 F 7.53 5.12 0.00 3.15 3.27 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 0.00 105 A 8.76 4.36 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 0.00 106 I 8.49 3.89 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.00 0.83 0.00 0.00 107 S 8.14 4.16 0.00 4.06 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 0.00 108 E 8.06 3.94 0.00 2.18 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 2.37 2.36 0.00 109 L 7.77 3.63 0.00 1.20 1.76 0.72 1.09 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 0.00 110 R 8.04 3.94 0.00 1.87 1.90 0.00 3.24 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 111 A 8.14 3.45 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 0.00 112 A 7.66 4.04 1.39 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 0.00 0.00 113 I 7.81 3.91 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 1.12 0.00 0.00 114 D 7.91 4.24 0.00 2.65 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.84 4.67 0.00 2.89 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 0.00 116 H 7.67 4.80 0.00 3.39 3.46 0.00 5.85 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.14 3.30 0.00 1.58 1.33 0.00 1.50 0.00 0.00 1.38 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.83 7.81 118 P 0.00 4.21 0.00 1.97 2.01 0.00 3.43 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 2.08 2.17 0.00 119 S 8.41 4.37 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.