NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.5935 8.4293 117.3740 54.1638 30.0571 173.3031 *6 K 4.1747 8.0304 119.5439 56.6509 33.5310 174.7359 7 S 4.8097 8.2154 113.4417 56.7627 65.7148 173.1725 8 H 4.7508 8.4313 117.5829 54.3903 31.8176 173.9820 9 N 4.7052 8.4984 122.8980 51.8228 37.1042 175.6240 10 L 4.0840 8.1770 122.4919 56.5884 42.1455 178.1011 11 L 4.5410 7.6471 116.2464 54.2982 42.2444 176.8698 12 E 3.9357 8.0267 120.6269 58.8252 29.6891 176.9486 13 A 4.2851 7.5763 120.9913 51.5887 20.7012 175.6268 14 V 4.0673 8.0480 115.8938 60.3487 33.4424 175.6989 15 R 4.3694 7.9476 121.8732 54.5050 31.7202 175.2706 16 F 5.0596 8.4745 123.1999 55.8457 41.3903 174.5360 17 D 4.7497 8.3893 120.6463 52.7729 43.5222 176.0197 18 D 4.2028 8.8906 126.3841 56.6077 41.2184 177.2876 19 Q 4.2697 8.3255 117.8055 57.5627 29.3157 175.5007 20 R 4.5352 7.2980 111.5980 54.5907 32.3312 174.1790 21 F 4.6301 8.7131 113.7996 57.5793 38.7790 174.7943 22 V 4.1770 8.3782 120.5726 61.3476 34.7284 173.7171 *24 E 4.2626 8.4020 118.8848 55.9202 30.9580 175.2655 25 L 4.1669 8.4209 126.6075 55.3396 42.3198 176.0355 26 V 3.9652 8.7037 127.0594 64.8679 32.5481 175.3880 27 H 4.9200 7.7132 118.1344 55.0373 33.3968 171.5647 28 E 5.1674 8.2779 124.6150 55.0960 32.5673 174.1644 29 S 4.6608 8.8653 120.7293 56.7000 66.3354 173.3568 30 E 4.0691 8.8199 117.3054 59.4576 29.3086 178.0546 31 N 4.4180 7.9464 116.0246 55.2687 39.1894 174.6988 32 F 5.2066 7.6717 110.5548 55.8735 41.6865 172.5505 33 K 5.1269 9.0855 120.5398 54.6690 34.9577 174.6144 34 I 4.9615 9.0958 127.7128 59.6379 40.2341 174.9667 35 V 4.8816 9.0030 120.1967 59.5452 35.9734 174.7837 36 S 5.2564 8.5414 118.5970 56.7678 65.6873 173.4621 37 F 4.8766 8.9428 119.2217 56.0964 42.6000 173.8706 38 T 4.8301 8.9107 120.7741 61.6540 70.7620 173.2614 39 F 5.5734 8.9139 124.0831 55.6468 42.9035 175.1703 40 K 4.1544 9.6558 122.1199 55.2751 32.8727 176.5398 41 A 4.2889 7.9435 124.0846 53.5145 18.5067 178.5749 42 G 3.9766 9.1578 111.9786 45.2175 0.0000 173.8292 43 Q 4.5479 7.9980 118.7903 55.8959 30.4071 174.6051 44 E 4.8625 8.6922 120.2871 54.8422 33.2214 174.0911 45 L 4.0207 8.9529 128.9587 52.9218 42.9633 174.2032 46 P 4.6585 0.0000 0.0000 62.2197 32.3017 176.6703 47 V 3.8395 8.2453 122.5789 63.9295 32.1350 174.6422 48 H 4.9483 8.9782 122.5385 55.2677 32.3814 171.9102 49 S 4.8589 8.2395 111.7816 57.7290 65.8864 173.1162 50 H 4.8228 8.9091 120.1362 54.2915 31.1778 175.5217 51 N 4.9684 8.6710 122.5722 50.9427 35.4425 169.8781 52 I 4.5651 7.1358 117.8084 59.9851 41.0998 175.8352 53 E 4.1497 8.3604 116.8915 55.9106 30.4493 174.3231 54 G 3.9292 8.7990 103.8988 45.3698 0.0000 172.0658 55 E 5.3291 9.1253 117.5164 54.2790 34.1531 175.0972 56 L 5.4739 9.2579 120.7769 54.0041 44.4806 175.0318 57 N 5.4661 9.1184 117.1088 51.1463 40.8067 173.1621 58 I 4.9729 8.7767 122.3966 59.6878 40.2640 174.4262 59 V 4.7611 8.8935 128.1211 61.0383 33.9584 174.6839 60 V 4.1787 9.0077 129.1125 62.6122 31.6247 176.3066 61 L 4.2764 8.8648 129.4648 57.0847 42.3638 177.4592 62 E 4.5125 8.1473 116.5473 55.8690 32.5219 175.3675 63 G 4.1584 8.7698 112.4555 45.7263 0.0000 171.8596 64 E 4.7860 8.7147 116.8508 55.0136 33.5511 176.1781 65 G 4.0270 8.2266 108.2237 46.1194 0.0000 171.5423 66 E 4.9941 8.6399 120.1592 54.5608 34.3987 174.9283 67 F 4.9481 9.0489 122.9417 56.9421 40.5614 174.9568 68 V 4.7315 9.1527 124.2287 61.5025 34.2646 175.3197 69 G 4.2105 8.7161 114.6132 43.8055 0.0000 170.6954 70 D 4.3973 8.7745 118.8990 56.0844 41.4338 178.1726 71 G 3.8032 9.1476 113.3288 46.1247 0.0000 172.7259 72 D 4.3571 8.0129 115.0866 54.6280 40.2555 173.5079 73 A 4.3140 7.5969 119.2411 51.4589 19.4450 177.9241 74 V 4.9948 8.3396 113.7472 59.5489 35.6324 175.0906 75 I 4.5905 8.6245 124.2147 58.6636 40.0026 173.4970 76 P 4.3923 0.0000 0.0000 62.7825 32.0356 176.5756 77 A 4.4924 8.4939 125.0962 49.2790 18.4117 173.3303 78 P 4.6477 0.0000 0.0000 61.0667 33.8427 177.0479 79 R 4.0090 8.3775 120.3135 58.0640 30.1537 176.7168 80 G 3.9491 9.3239 113.2560 45.1542 0.0000 173.4679 81 A 4.5152 8.0520 122.5342 51.7156 19.8451 177.0178 82 V 4.9747 8.3452 119.4859 59.8535 34.3208 174.4576 83 L 4.2309 8.4590 127.0890 53.0515 43.9445 174.9581 84 V 4.8687 7.9940 124.9118 61.1452 34.0385 174.2207 85 A 4.6476 8.6571 127.3679 50.0364 23.1647 174.0660 86 P 4.6747 0.0000 0.0000 62.4444 32.3525 178.0569 87 I 3.7730 8.5063 122.9546 64.4898 37.1649 178.5678 88 S 4.5628 7.8559 112.3462 59.7055 63.3754 174.0108 89 T 4.2674 7.5112 119.2464 62.1246 69.1052 173.0175 90 P 4.5203 0.0000 0.0000 63.6174 32.4105 174.9753 91 H 5.2398 9.1949 119.7273 54.3274 32.5667 172.4751 92 G 4.3632 8.7307 106.1005 45.7108 0.0000 171.8231 93 V 4.8766 8.6143 119.0481 60.9039 35.2211 173.8589 94 R 4.7016 8.6802 127.3516 54.3002 33.1360 173.8169 95 A 4.4027 8.6278 128.8118 51.2405 19.8232 177.8407 96 V 3.6534 8.5306 123.5157 65.4464 32.5054 175.8648 97 T 4.6267 7.6889 109.5989 59.4375 71.9617 173.2866 98 D 5.0493 8.3823 120.3019 54.0119 42.3288 175.8176 *100 K 4.6083 8.4072 120.7880 56.7169 33.8060 174.8686 101 V 5.1470 8.9434 119.0189 59.5077 36.3262 174.0233 102 L 5.2067 8.9137 124.4392 53.3294 44.8897 175.1184 103 V 4.9680 9.3490 126.3907 61.4341 34.3102 174.1129 104 T 4.9840 8.7359 124.1125 61.7762 71.6049 172.9263 105 I 5.0087 8.9601 127.3083 59.4153 40.3663 174.6382 106 A 5.0282 8.9998 128.3194 49.6202 22.3382 173.9684 107 P 4.8641 0.0000 0.0000 61.4816 32.4290 174.6884 108 P 4.4972 0.0000 0.0000 62.6778 32.1206 176.5891 109 I 3.9379 8.1745 119.3584 61.8143 37.0851 176.0452 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 H 8.43 4.59 0.00 2.67 2.91 0.00 5.84 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 *6 K 8.03 4.17 0.00 1.83 1.87 0.00 1.53 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.36 7.81 7 S 8.22 4.81 0.00 3.93 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 8 H 8.43 4.75 0.00 3.07 3.19 0.00 5.69 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 9 N 8.50 4.71 0.00 2.74 2.76 0.00 0.00 7.14 6.74 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 10 L 8.18 4.08 0.00 1.62 1.70 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.65 4.54 0.00 1.62 1.68 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.03 3.94 0.00 1.95 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 0.00 2.31 2.25 0.00 13 A 7.58 4.29 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 14 V 8.05 4.07 1.67 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 0.62 0.00 0.00 0.48 0.00 0.00 15 R 7.95 4.37 0.00 1.88 1.66 0.00 3.31 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 1.50 1.17 0.00 16 F 8.47 5.06 0.00 3.11 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 17 D 8.39 4.75 0.00 2.61 2.67 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 0.00 0.00 0.00 0.00 18 D 8.89 4.20 0.00 2.72 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 19 Q 8.33 4.27 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 20 R 7.30 4.54 0.00 1.44 1.78 0.00 2.86 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 21 F 8.71 4.63 0.00 2.75 3.24 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 22 V 8.38 4.18 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 0.83 0.00 0.00 0.94 0.00 0.00 *24 E 8.40 4.26 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 2.20 2.20 0.00 25 L 8.42 4.17 0.00 1.57 1.52 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.70 3.97 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 0.46 0.00 0.00 0.80 0.00 0.00 27 H 7.71 4.92 0.00 3.21 2.98 0.00 5.90 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.28 5.17 0.00 1.94 1.71 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 2.19 2.32 0.00 29 S 8.87 4.66 0.00 4.00 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 30 E 8.82 4.07 0.00 2.08 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 0.00 2.24 2.30 0.00 31 N 7.95 4.42 0.00 2.22 2.39 0.00 0.00 6.81 7.95 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 32 F 7.67 5.21 0.00 3.04 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 33 K 9.09 5.13 0.00 1.88 1.70 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 34 I 9.10 4.96 1.72 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.20 0.74 0.00 0.00 35 V 9.00 4.88 1.71 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 0.74 0.00 0.00 1.00 0.00 0.00 36 S 8.54 5.26 0.00 3.85 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 37 F 8.94 4.88 0.00 2.95 2.30 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 38 T 8.91 4.83 4.21 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 0.89 0.00 0.00 39 F 8.91 5.57 0.00 3.03 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 40 K 9.66 4.15 0.00 1.81 1.64 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.47 1.59 7.81 41 A 7.94 4.29 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 42 G 9.16 3.98 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 0.00 43 Q 8.00 4.55 0.00 2.51 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 44 E 8.69 4.86 0.00 1.91 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 2.15 2.33 0.00 45 L 8.95 4.02 0.00 1.28 1.40 0.20 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.66 0.00 2.02 2.01 0.00 3.83 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 2.15 2.19 0.00 47 V 8.25 3.84 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 0.74 0.00 0.00 0.99 0.00 0.00 48 H 8.98 4.95 0.00 3.09 3.29 0.00 5.34 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.24 4.86 0.00 3.94 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 50 H 8.91 4.82 0.00 3.21 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.67 4.97 0.00 2.74 2.65 0.00 0.00 6.67 7.72 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 52 I 7.14 4.57 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.94 0.00 0.00 53 E 8.36 4.15 0.00 2.01 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 2.23 1.87 0.00 54 G 8.80 3.93 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 0.00 0.00 0.00 55 E 9.13 5.33 0.00 1.87 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 2.19 2.21 0.00 56 L 9.26 5.47 0.00 1.70 1.69 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.12 5.47 0.00 2.83 2.88 0.00 0.00 7.06 8.52 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 58 I 8.78 4.97 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 1.15 0.00 0.00 59 V 8.89 4.76 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 1.05 0.00 0.00 0.98 0.00 0.00 60 V 9.01 4.18 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 0.92 0.00 0.00 1.00 0.00 0.00 61 L 8.86 4.28 0.00 1.71 1.73 0.94 0.71 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 62 E 8.15 4.51 0.00 1.89 1.81 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 2.25 2.44 0.00 63 G 8.77 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 0.00 0.00 0.00 64 E 8.71 4.79 0.00 1.80 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 0.00 2.17 2.20 0.00 65 G 8.23 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 66 E 8.64 4.99 0.00 1.71 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 2.11 2.14 0.00 67 F 9.05 4.95 0.00 2.96 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 68 V 9.15 4.73 2.05 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 0.93 0.00 0.00 0.87 0.00 0.00 69 G 8.72 4.21 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 0.00 70 D 8.77 4.40 0.00 2.75 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 71 G 9.15 3.80 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 0.00 0.00 0.00 72 D 8.01 4.36 0.00 2.81 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 73 A 7.60 4.31 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 74 V 8.34 4.99 2.05 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 0.81 0.00 0.00 0.95 0.00 0.00 75 I 8.62 4.59 2.14 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 1.28 0.83 1.07 0.00 0.00 76 P 0.00 4.39 0.00 1.91 1.95 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 77 A 8.49 4.49 0.07 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 0.00 0.00 78 P 0.00 4.65 0.00 2.11 2.18 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 79 R 8.38 4.01 0.00 1.93 1.90 0.00 3.28 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 80 G 9.32 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 0.00 0.00 0.00 81 A 8.05 4.52 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 82 V 8.35 4.97 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 0.75 0.00 0.00 0.93 0.00 0.00 83 L 8.46 4.23 0.00 0.27 0.66 0.54 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.99 4.87 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 0.87 0.00 0.00 0.87 0.00 0.00 85 A 8.66 4.65 1.10 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 86 P 0.00 4.67 0.00 2.18 1.98 0.00 3.58 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 2.10 2.09 0.00 87 I 8.51 3.77 1.91 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 1.38 0.58 1.07 0.00 0.00 88 S 7.86 4.56 0.00 3.99 4.13 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 89 T 7.51 4.27 4.39 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 1.20 0.00 0.00 90 P 0.00 4.52 0.00 2.04 1.96 0.00 3.53 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 91 H 9.19 5.24 0.00 3.01 3.25 0.00 5.30 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.73 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 0.00 0.00 0.00 0.00 93 V 8.61 4.88 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 0.51 0.00 0.00 0.97 0.00 0.00 94 R 8.68 4.70 0.00 1.75 1.56 0.00 3.27 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 95 A 8.63 4.40 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 96 V 8.53 3.65 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 0.79 0.00 0.00 0.85 0.00 0.00 97 T 7.69 4.63 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 1.20 0.00 0.00 98 D 8.38 5.05 0.00 2.70 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 *100 K 8.41 4.61 0.00 1.91 1.77 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.64 7.81 101 V 8.94 5.15 2.34 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 0.91 0.00 0.00 1.31 0.00 0.00 102 L 8.91 5.21 0.00 1.74 1.50 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.35 4.97 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 1.09 0.00 0.00 1.23 0.00 0.00 104 T 8.74 4.98 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 1.03 0.00 0.00 105 I 8.96 5.01 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 1.01 0.00 0.00 106 A 9.00 5.03 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.86 0.00 1.96 2.01 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 108 P 0.00 4.50 0.00 2.21 2.19 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 109 I 8.17 3.94 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.80 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.