NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3858 8.3049 120.3477 55.1305 33.3943 174.8217 2 I 3.8312 8.2563 127.1952 60.7778 37.7072 172.7842 3 E 4.2323 9.3892 125.0041 56.2293 31.1596 176.5666 4 G 3.8599 7.3664 103.6346 44.9351 0.0000 171.0462 5 L 4.0863 7.9299 121.8630 55.0421 42.6881 177.1227 6 S 4.4511 8.4301 121.1102 59.7329 62.9423 173.1611 7 H 4.8962 7.0008 112.2518 54.9265 30.9414 171.8746 8 M 4.5897 8.5263 115.8959 53.6335 34.1903 174.4272 9 T 4.9185 7.9749 117.8610 61.6525 71.7959 173.2190 10 F 4.9599 8.9814 124.1925 55.7117 42.5405 174.1301 11 I 5.0599 8.6449 123.5117 60.2791 38.5692 175.5260 12 V 4.7987 8.9354 119.2440 59.8501 35.6930 177.0487 13 R 4.1344 9.1823 121.8982 57.7507 30.5869 177.0354 14 D 4.7229 7.8469 116.2104 51.7585 43.6940 175.7354 15 L 4.1791 8.5395 128.3495 57.6699 41.8790 179.2793 16 E 3.9984 8.2851 118.3537 59.3995 29.5262 179.1433 17 R 3.9058 8.2828 118.7769 59.6625 30.0891 178.2195 18 M 4.0790 8.0427 117.5939 58.8294 32.0937 178.3318 19 T 3.7753 8.2504 116.2505 66.6667 68.6017 176.5952 20 R 3.8744 7.8598 120.2934 59.2674 30.0550 178.6974 21 I 3.5675 7.8339 119.6481 64.2838 37.1631 178.3825 22 L 4.0431 7.9257 119.9641 57.9498 41.2563 179.5732 23 E 4.3138 8.4242 118.9678 59.3428 29.1703 179.7042 24 G 3.4447 8.1232 105.2964 47.1951 0.0000 175.6207 25 V 3.5610 7.6807 119.6904 64.6945 31.9150 176.8611 26 F 4.6710 7.4054 113.3423 56.6022 39.3092 175.3483 27 D 4.5032 7.7494 119.3669 54.8786 38.8154 174.0352 28 A 4.4154 8.1650 120.2819 52.2933 19.3237 177.6459 29 R 4.8629 8.8026 117.7583 54.2107 32.2957 174.6432 30 E 4.0461 8.9677 124.1328 56.1341 29.8832 176.3151 31 V 4.4555 8.7223 118.9755 61.3110 34.0006 175.1384 32 Y 4.8216 7.5981 121.0402 55.9719 42.2061 173.2649 33 A 4.4555 7.1062 128.5007 50.5428 22.6747 176.1393 *42 S 4.1794 8.6688 117.5082 58.0202 64.2700 175.7963 43 R 4.4813 7.2391 119.7439 55.6880 34.4244 170.2045 44 E 5.4494 8.6100 111.2176 56.4435 32.7520 175.4548 45 K 4.7824 9.2400 119.6401 54.7187 36.5971 175.1012 46 F 6.0430 8.7664 121.0099 56.1465 42.2215 174.6226 47 F 5.5035 10.2609 120.3879 55.8212 43.7771 173.5656 48 L 5.2515 9.0522 120.6179 53.3759 44.5033 175.9216 49 I 4.4896 9.2292 125.8671 59.8458 38.0265 178.2917 50 G 3.9178 8.9501 121.1957 46.8218 0.0000 172.2211 51 D 4.8483 9.2834 119.6322 52.6784 39.9209 175.6428 52 I 4.2616 7.7066 122.2436 60.1203 37.7360 174.7041 53 W 5.0571 8.9168 135.0000 57.2714 31.8725 174.6820 54 V 5.0895 9.8912 127.7354 61.1434 33.7972 173.8699 55 A 5.9104 9.0497 129.8694 50.2942 21.8325 175.1803 56 I 5.2992 9.2098 114.7620 59.5165 40.9644 174.4447 57 M 5.3776 9.0180 123.7673 53.4088 36.3366 174.4319 58 Q 4.5623 8.9159 124.4211 55.8475 29.2687 176.3144 59 G 4.1155 8.4506 114.4606 46.6471 0.0000 171.5614 60 E 4.5927 8.9644 125.2603 55.2022 30.9827 176.9251 61 K 4.1714 8.4382 124.6872 53.9171 32.2846 174.5807 62 L 3.9350 8.7832 121.0238 55.6322 41.9845 178.3429 63 A 3.7951 8.6580 129.8076 55.2711 18.7010 177.7791 64 E 4.7278 7.3528 108.8205 53.9947 33.7267 177.3210 65 R 4.3667 8.1855 119.6613 55.8027 31.1750 175.8729 66 S 4.3627 8.1465 113.4996 58.0319 65.8144 173.2742 67 Y 4.9211 8.1668 115.7720 57.9245 37.7605 175.9154 68 N 4.4602 7.7211 118.6746 54.1385 39.0852 173.9147 69 H 5.1399 8.0807 115.6925 55.4024 31.5892 172.5901 70 I 4.4473 8.0398 120.0721 59.4551 39.7799 174.2717 71 A 5.2622 8.3059 127.5017 50.1390 21.5540 175.1712 72 F 4.8480 9.1727 120.6586 55.4956 42.2042 174.6934 73 K 4.9365 8.7578 123.6135 55.6606 33.2272 175.5912 74 I 4.7529 8.5885 119.7468 58.8886 41.7761 174.0185 75 D 4.8305 8.5476 121.7247 53.4652 42.3428 176.5399 76 D 4.4493 8.8751 123.9656 57.6485 40.8770 178.5605 77 A 4.2025 8.3307 119.9414 54.1699 18.6508 178.1616 78 D 4.7695 8.0696 116.3495 54.2336 41.2537 178.0473 79 F 4.0898 8.1825 122.9671 61.6550 39.5723 176.6226 80 D 4.5304 8.5734 120.3707 58.0880 40.6442 179.5073 81 R 3.8440 7.9863 120.4601 61.7747 29.3942 180.2946 82 Y 3.9276 7.8998 117.5633 60.6513 37.8392 178.3750 83 A 3.9104 7.9900 124.1503 55.7652 18.2878 180.1665 84 E 3.9617 7.9345 116.5683 60.8670 29.5702 182.3629 85 R 3.9186 7.5491 117.5055 59.2090 30.2335 179.0267 86 V 3.3608 7.5124 117.9861 65.7406 31.4306 178.0096 87 G 3.7675 7.9518 107.9240 48.6556 0.0000 176.1638 88 K 3.9298 7.9825 125.2103 59.2256 30.3211 179.9173 89 L 4.5167 7.6557 116.8484 54.2261 41.4296 177.7310 90 G 4.0631 8.0091 107.1474 46.2989 0.0000 174.1678 91 L 4.2136 7.0612 117.7164 53.7857 42.4785 176.5273 92 D 4.5983 8.7950 121.9839 54.7842 42.0952 174.4336 93 M 5.4203 8.5486 125.5715 53.4772 35.3402 174.7179 94 R 4.2016 8.8703 126.9124 55.4076 30.9418 174.4863 95 P 4.3134 0.0000 0.0000 62.2032 31.8023 174.4448 96 P 4.4075 0.0000 0.0000 63.1469 31.8115 177.0239 97 R 3.9485 8.6886 121.5719 55.5513 29.5075 171.4195 98 P 4.3641 0.0000 0.0000 62.8288 30.7807 175.9871 99 R 4.4105 7.7094 124.0417 55.6702 33.6729 173.8979 *103 E 4.3631 8.3032 110.5029 57.7920 31.0027 172.9112 104 G 3.3202 8.2122 98.7444 46.9164 0.0000 172.2281 105 R 4.7596 8.6170 121.9978 55.0068 33.6557 176.5833 106 S 5.2640 8.5924 115.4607 57.0720 67.3206 173.3884 107 I 4.5436 8.6604 123.4826 59.8132 39.7398 174.1473 108 Y 5.3105 8.6633 124.3837 56.2920 40.7559 174.6901 109 F 5.5080 8.7414 117.1091 56.0786 41.8277 172.6912 110 Y 5.0433 8.7822 118.0442 56.7329 39.4663 176.8424 111 D 5.0329 8.6202 124.7422 53.8579 40.7284 176.4745 112 D 4.7990 8.8323 118.4825 55.4992 41.2005 175.9971 113 D 4.8689 8.7339 120.3694 54.1420 42.0034 176.1270 114 N 4.4725 8.5390 112.6006 54.4967 36.3073 173.4413 115 H 4.7873 7.9654 116.4265 54.9832 30.2769 174.1901 116 M 4.1095 8.4912 123.7990 54.8380 33.5589 174.8329 117 F 5.0720 8.3851 123.9374 55.5880 43.3078 173.7265 118 E 5.0901 9.0965 120.6438 54.5882 33.4344 173.8729 119 L 5.2633 8.9301 126.2808 53.2816 44.5464 174.8922 120 H 5.4778 9.2154 123.5668 54.7733 32.6773 173.7339 121 T 4.9711 8.4475 115.2987 61.8553 69.6925 175.0368 122 G 3.9046 7.2201 111.3256 44.5559 0.0000 172.6525 123 T 4.6908 8.0587 108.7997 58.8875 72.7397 174.9368 124 L 3.9212 8.2987 122.0682 58.6798 41.8847 178.6934 125 T 3.8684 7.9459 113.6507 66.9500 68.6803 175.6980 126 E 4.1079 7.9432 119.7440 59.5159 29.3014 179.4344 127 R 3.9228 7.9184 117.3612 59.3672 30.2696 178.0825 128 L 4.1355 8.2770 116.7633 56.1968 41.6098 177.5454 129 A 4.3947 7.8445 126.1472 52.1924 19.1004 176.6783 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 1 M 8.30 4.39 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 I 8.26 3.83 1.86 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 1.40 0.25 0.89 0.00 0.00 3 E 9.39 4.23 0.00 1.96 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 2.28 2.30 0.00 4 G 7.37 3.86 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 0.00 0.00 0.00 5 L 7.93 4.09 0.00 1.59 1.59 0.85 0.84 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 6 S 8.43 4.45 0.00 3.85 3.69 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 0.00 0.00 0.00 0.00 7 H 7.00 4.90 0.00 2.25 1.94 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.53 4.59 0.00 1.97 1.84 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 2.62 2.58 0.00 9 T 7.97 4.92 4.06 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 1.20 0.00 0.00 10 F 8.98 4.96 0.00 3.14 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 11 I 8.64 5.06 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 1.00 0.00 0.00 12 V 8.94 4.80 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 1.00 0.00 0.00 1.07 0.00 0.00 13 R 9.18 4.13 0.00 1.85 2.02 0.00 3.09 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 14 D 7.85 4.72 0.00 2.68 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 15 L 8.54 4.18 0.00 1.79 1.80 0.98 1.08 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 16 E 8.29 4.00 0.00 2.26 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 2.42 2.46 0.00 17 R 8.28 3.91 0.00 1.97 1.96 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 18 M 8.04 4.08 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 19 T 8.25 3.78 4.56 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 1.44 0.00 0.00 20 R 7.86 3.87 0.00 1.96 2.07 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 21 I 7.83 3.57 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.50 0.87 0.00 0.00 22 L 7.93 4.04 0.00 1.13 1.34 0.42 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.42 4.31 0.00 2.04 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 2.64 2.63 0.00 24 G 8.12 3.44 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 0.00 0.00 0.00 0.00 25 V 7.68 3.56 1.08 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 0.34 0.00 0.00 26 F 7.41 4.67 0.00 3.01 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 27 D 7.75 4.50 0.00 2.83 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 28 A 8.17 4.42 1.24 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 0.00 0.00 0.00 29 R 8.80 4.86 0.00 1.93 2.09 0.00 2.81 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 30 E 8.97 4.05 0.00 1.84 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 1.98 1.60 0.00 31 V 8.72 4.46 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 0.71 0.00 0.00 0.99 0.00 0.00 32 Y 7.60 4.82 0.00 3.12 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.11 4.46 0.98 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 0.00 0.00 *42 S 8.67 4.18 0.00 3.67 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 43 R 7.24 4.48 0.00 1.75 1.87 0.00 3.15 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.00 44 E 8.61 5.45 0.00 2.03 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 2.19 2.23 0.00 45 K 9.24 4.78 0.00 1.87 1.55 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.25 1.42 7.81 46 F 8.77 6.04 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 47 F 10.26 5.50 0.00 3.10 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 48 L 9.05 5.25 0.00 1.65 1.82 0.91 1.02 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 49 I 9.23 4.49 1.79 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.84 0.70 0.00 0.00 50 G 8.95 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 51 D 9.28 4.85 0.00 2.80 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 52 I 7.71 4.26 2.16 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 1.11 0.00 0.00 53 W 8.92 5.06 0.00 3.39 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 54 V 9.89 5.09 2.41 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 1.27 0.00 0.00 1.14 0.00 0.00 55 A 9.05 5.91 1.41 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 0.00 0.00 0.00 56 I 9.21 5.30 2.10 0.00 0.00 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 1.70 1.46 1.21 0.00 0.00 57 M 9.02 5.38 0.00 2.03 2.02 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 2.63 2.58 0.00 58 Q 8.92 4.56 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 59 G 8.45 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.96 4.59 0.00 1.99 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 2.27 2.25 0.00 61 K 8.44 4.17 0.00 1.77 1.60 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.03 7.81 62 L 8.78 3.93 0.00 1.66 1.79 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.66 3.80 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 64 E 7.35 4.73 0.00 1.89 1.66 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 2.14 2.12 0.00 65 R 8.19 4.37 0.00 1.55 1.67 0.00 2.78 0.00 0.00 2.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.31 0.00 66 S 8.15 4.36 0.00 3.87 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 67 Y 8.17 4.92 0.00 2.98 2.87 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 68 N 7.72 4.46 0.00 2.69 2.76 0.00 0.00 6.69 9.28 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 69 H 8.08 5.14 0.00 3.09 3.13 0.00 5.09 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.04 4.45 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.05 0.54 0.00 0.00 71 A 8.31 5.26 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 72 F 9.17 4.85 0.00 3.16 2.96 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 73 K 8.76 4.94 0.00 1.78 1.76 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 74 I 8.59 4.75 1.72 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 1.00 0.60 0.22 0.00 0.00 75 D 8.55 4.83 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.88 4.45 0.00 2.75 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 77 A 8.33 4.20 1.44 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 0.00 0.00 0.00 78 D 8.07 4.77 0.00 3.12 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 79 F 8.18 4.09 0.00 3.32 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.57 4.53 0.00 2.79 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 81 R 7.99 3.84 0.00 1.81 1.95 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 82 Y 7.90 3.93 0.00 3.06 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 83 A 7.99 3.91 1.18 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 0.00 0.00 84 E 7.93 3.96 0.00 2.03 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 2.22 0.00 85 R 7.55 3.92 0.00 1.76 1.77 0.00 2.53 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 86 V 7.51 3.36 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 0.59 0.00 0.00 0.14 0.00 0.00 87 G 7.95 3.77 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 0.00 0.00 0.00 88 K 7.98 3.93 0.00 1.85 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.37 7.81 89 L 7.66 4.52 0.00 1.67 1.63 0.76 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.01 4.06 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 0.00 91 L 7.06 4.21 0.00 1.69 1.92 0.67 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.80 4.60 0.00 2.93 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 93 M 8.55 5.42 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 94 R 8.87 4.20 0.00 1.98 2.01 0.00 3.35 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 95 P 0.00 4.31 0.00 2.13 2.05 0.00 3.81 0.00 0.00 3.87 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 96 P 0.00 4.41 0.00 2.27 2.47 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 97 R 8.69 3.95 0.00 1.83 1.74 0.00 3.29 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 98 P 0.00 4.36 0.00 2.03 2.10 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 99 R 7.71 4.41 0.00 1.76 1.67 0.00 3.30 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 *103 E 8.30 4.36 0.00 2.01 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 2.13 1.89 0.00 104 G 8.21 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 0.00 105 R 8.62 4.76 0.00 1.49 1.44 0.00 2.21 0.00 0.00 2.63 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.00 106 S 8.59 5.26 0.00 3.54 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 0.00 107 I 8.66 4.54 1.76 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.17 0.90 0.00 0.00 108 Y 8.66 5.31 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.74 5.51 0.00 3.32 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.78 5.04 0.00 3.03 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 0.00 111 D 8.62 5.03 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.83 4.80 0.00 2.77 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 0.00 113 D 8.73 4.87 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.47 0.00 2.81 2.82 0.00 0.00 7.12 8.16 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 0.00 115 H 7.97 4.79 0.00 3.27 2.79 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.49 4.11 0.00 2.10 1.29 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 117 F 8.39 5.07 0.00 1.75 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 0.00 118 E 9.10 5.09 0.00 1.84 1.69 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 0.00 2.02 1.57 0.00 119 L 8.93 5.26 0.00 1.50 1.37 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.22 5.48 0.00 3.27 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.45 4.97 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 122 G 7.22 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 0.00 123 T 8.06 4.69 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 124 L 8.30 3.92 0.00 1.78 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.95 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 126 E 7.94 4.11 0.00 2.15 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 2.33 2.32 0.00 127 R 7.92 3.92 0.00 1.91 2.16 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 128 L 8.28 4.14 0.00 1.79 1.71 0.92 0.72 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 0.00 129 A 7.84 4.39 1.30 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.