NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5738 8.3016 107.8449 45.7382 0.0000 173.3973 4 L 4.0667 8.5125 126.3164 54.5621 43.3785 170.4307 5 V 4.7447 8.6588 126.1038 61.1648 34.7736 173.6278 6 A 5.0047 8.8145 129.5421 50.2002 21.8511 174.9042 7 S 5.6924 7.9062 113.9458 55.8315 67.4255 173.8471 8 N 4.2948 8.9121 113.3094 54.0698 36.3442 175.9139 9 L 4.0776 7.2584 119.0607 53.6698 39.0673 175.6476 10 N 4.2290 7.7208 118.2867 54.7552 39.8656 173.3707 11 L 4.8180 8.8714 128.2393 53.1018 44.6620 175.3847 12 K 5.1617 8.8821 125.0193 53.6595 35.5933 174.1192 13 P 3.8089 0.0000 0.0000 63.3422 31.4577 176.9054 14 G 3.9994 8.7532 110.7571 45.2925 0.0000 173.4163 15 E 4.5702 7.7785 118.7019 55.3389 31.1109 174.7973 16 C 4.9173 8.6966 122.2533 57.6356 33.9941 172.1476 17 L 4.7650 8.7651 129.3118 53.6015 42.8498 175.2202 18 K 4.6054 8.6734 128.8516 54.7028 34.3558 174.8505 19 V 4.6117 8.8494 127.8125 61.0151 34.4497 174.0699 20 R 5.1069 8.5145 127.1828 54.8354 33.7843 174.1898 21 G 3.6984 8.6966 111.4561 45.3595 0.0000 170.6873 22 E 5.2241 8.2955 117.0716 54.4329 32.6430 175.7209 23 L 5.1279 9.2638 122.7390 53.4908 43.4275 176.5660 24 A 4.4394 8.6149 123.6538 51.4424 19.4033 176.9336 25 P 4.2614 0.0000 0.0000 65.4661 31.4561 177.7292 26 D 4.8084 7.8465 115.1238 52.7091 39.9757 176.1644 27 A 4.3010 8.1758 122.8164 54.0502 18.9860 177.7620 28 K 4.6136 9.4836 122.3722 57.8475 33.9704 176.2489 29 S 4.5907 7.8143 110.8750 57.7444 66.3063 172.8028 30 F 5.2115 7.6221 112.7934 56.1143 41.6155 173.1149 31 V 4.6582 9.6647 118.8255 61.1719 35.4306 174.1100 32 L 5.2983 8.9488 125.1747 53.2495 45.4642 175.0207 33 N 5.5785 9.4604 122.0831 51.4863 41.4410 173.9305 34 L 5.3368 9.9453 122.9582 51.8824 45.8468 177.0665 35 G 4.2851 7.9242 109.1399 46.9566 0.0000 174.6643 36 K 4.1948 8.8941 120.9202 57.9400 33.4440 175.6355 37 D 3.8912 7.1602 115.7111 51.9760 41.6067 175.4545 38 S 3.8871 7.8145 112.6686 60.7794 63.0002 174.5139 39 N 4.5834 8.8488 117.2788 53.0698 39.2801 173.6926 40 N 5.3488 7.9052 115.6861 50.9902 40.7441 171.5805 41 L 5.8188 8.8009 122.7036 52.1926 43.7116 176.9889 42 C 4.4385 8.9898 119.0350 60.0751 30.9254 173.6381 43 L 4.6362 7.8406 121.9347 54.0206 45.5982 173.9040 44 H 5.1450 9.1492 126.6544 54.2949 31.3847 170.8060 45 F 4.5724 9.2011 127.3488 57.0756 40.5603 173.4819 46 N 5.1554 8.4853 125.7967 49.4965 39.4991 171.2181 47 P 4.4146 0.0000 0.0000 61.8853 33.6008 175.6310 48 R 4.0131 8.5202 120.0351 54.2272 34.1502 175.7098 49 F 5.3313 7.4096 121.0252 56.2602 39.2434 176.0190 50 N 4.2993 7.3507 117.8999 53.2131 39.2226 173.1276 *55 A 3.9725 8.0888 127.4569 52.6102 19.0318 173.4418 56 N 4.6412 8.0410 118.5315 52.3730 35.5653 173.0244 57 T 4.4408 7.1067 115.3688 61.2634 71.8216 171.5065 58 I 4.4276 7.8577 124.1690 59.1130 39.3582 175.0952 59 V 3.9433 8.0728 128.2630 62.6558 32.7910 174.6710 60 C 5.4519 8.7741 124.3521 57.2494 32.4516 172.5831 61 N 5.3360 7.9274 119.2666 53.2707 42.6299 172.4533 62 S 5.4024 8.8772 113.4429 56.5026 67.3541 172.7740 63 K 4.8251 9.1921 121.9228 54.7162 35.1260 174.1002 64 D 4.9117 8.7303 127.2243 53.4118 43.5962 176.0736 65 D 4.2656 9.6501 125.8423 55.3103 40.0759 174.7493 66 G 3.7667 8.4141 109.0253 45.0904 0.0000 173.6700 67 T 4.3388 8.1729 111.9113 59.1377 70.4237 174.4396 68 W 4.7804 8.4995 125.2283 57.0128 30.1743 174.8080 69 G 4.3032 8.6777 108.1417 44.0211 0.0000 172.3157 70 T 4.0355 8.7323 115.8918 63.7564 68.6858 174.0698 71 E 4.2079 8.8390 127.9016 56.2337 30.8385 175.8481 72 Q 4.5021 8.9491 126.6085 54.6360 32.2339 173.6808 73 R 4.9225 8.4949 125.7647 54.6063 31.9561 176.6564 74 E 4.4650 8.5656 118.6088 56.9969 31.8743 173.3913 *81 P 3.8916 0.0000 0.0000 63.3653 32.3857 177.0010 82 G 4.2049 8.7632 106.8275 46.8327 0.0000 173.5979 83 S 4.6783 7.6020 114.8504 56.9694 66.4491 172.9848 84 I 5.2293 8.4784 120.0500 59.2453 38.8207 175.5659 85 T 4.5658 8.2016 118.5012 60.6514 71.9260 172.8398 86 E 5.1394 8.4701 120.5755 55.4124 32.8129 174.2734 87 V 4.5123 8.8237 126.3168 61.0685 35.6343 173.3763 *89 I 4.3391 8.0979 119.0356 61.8300 38.3990 175.2720 90 T 5.3170 8.8096 122.1858 62.3173 73.4775 172.3980 91 F 5.5711 8.6358 116.6942 57.0329 41.4992 172.3441 92 D 4.1951 8.2359 116.5239 52.6751 41.6445 174.5272 93 Q 4.0892 8.8135 116.8972 59.7528 29.0968 178.1665 94 A 4.1007 8.2152 120.3546 54.4958 18.8168 176.4170 95 D 5.0349 8.9065 113.3056 52.7904 43.4645 173.9668 96 L 4.9978 9.1325 119.2541 54.2321 44.0145 176.4748 97 T 4.6369 9.5976 118.7553 62.0062 71.9594 173.0082 98 I 4.1156 7.7093 128.0748 59.5992 38.9309 174.8669 99 K 4.6682 8.2082 128.1397 54.4585 34.0116 175.8224 100 L 4.4278 8.7347 128.2795 53.2649 42.4895 176.4424 101 P 4.3226 0.0000 0.0000 65.8033 31.0650 176.9456 102 D 4.5664 8.0931 116.1555 53.5851 39.5805 175.6494 103 G 4.1178 8.0944 108.7850 46.0807 0.0000 174.2823 104 H 4.3698 8.1325 119.0369 56.2805 30.4499 173.7820 105 E 4.8743 8.0858 122.0318 54.6546 32.6138 173.9046 106 F 5.1601 7.9533 115.0649 55.1641 41.8683 173.5177 107 K 5.2390 8.9254 117.5111 54.7462 35.5719 175.6700 108 F 5.0557 8.9342 123.9370 55.7023 42.7637 172.1590 109 P 4.5259 0.0000 0.0000 62.7279 31.8161 176.7603 110 N 4.7383 8.6100 122.6265 51.9231 37.5350 175.2485 111 R 3.9102 8.0452 121.6934 59.3459 30.7622 178.8658 112 L 4.0021 7.9207 115.2309 55.8056 41.9877 176.3828 113 N 4.2956 7.9720 115.7445 54.5858 37.3201 173.7458 114 M 4.4837 8.1490 113.4079 54.6346 32.9060 175.8882 115 E 4.5950 8.7261 118.6019 56.5877 30.4045 175.9423 116 A 5.0438 7.6951 120.6740 50.7108 22.4476 175.4056 117 I 4.4302 8.6738 122.1891 59.7666 39.5467 175.7991 118 N 5.0630 9.2040 123.2700 52.9462 40.7079 173.4797 119 Y 5.3241 7.8721 120.2883 56.0504 42.6759 173.5167 120 M 5.6089 8.5933 124.2754 53.2238 36.5633 173.4996 121 A 4.9823 8.2636 125.0067 50.5381 23.0363 174.6951 122 A 5.3194 8.9408 124.4457 50.7275 22.0484 175.2021 123 D 4.7185 9.1748 118.2338 54.7590 45.1933 174.8460 124 G 3.9539 8.9209 108.8231 44.4405 0.0000 172.7206 125 D 4.9193 8.4954 115.1502 54.2014 40.1181 176.8527 126 F 4.8601 8.0073 119.3478 56.4097 42.9807 174.1893 127 K 4.2301 8.2434 127.9497 54.2258 33.4869 175.0831 128 I 3.7512 7.9450 128.4105 61.6546 37.4386 176.2062 129 K 4.3669 8.9722 123.6749 56.1761 34.1502 176.1476 *131 V 3.9580 7.7567 119.5909 62.7177 32.2434 174.3462 132 A 4.6207 8.5760 128.3122 50.0550 23.1622 174.8389 133 F 4.9712 8.7375 117.5194 55.9095 41.5828 175.3503 134 E 4.3788 9.4620 123.5200 56.2952 29.6692 176.3922 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 3 G 8.30 4.57 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 0.00 0.00 0.00 4 L 8.51 4.07 0.00 1.79 1.53 0.90 0.48 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 5 V 8.66 4.74 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 0.90 0.00 0.00 1.04 0.00 0.00 6 A 8.81 5.00 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 7 S 7.91 5.69 0.00 3.98 4.11 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 8 N 8.91 4.29 0.00 2.90 2.94 0.00 0.00 6.87 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 9 L 7.26 4.08 0.00 1.68 1.71 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.72 4.23 0.00 2.71 2.81 0.00 0.00 7.07 7.78 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 11 L 8.87 4.82 0.00 2.11 1.63 1.19 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.88 5.16 0.00 1.91 1.70 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.44 7.81 13 P 0.00 3.81 0.00 1.75 1.40 0.00 3.60 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.08 0.00 14 G 8.75 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 0.00 0.00 0.00 15 E 7.78 4.57 0.00 2.24 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 2.35 2.38 0.00 16 C 8.70 4.92 0.00 2.99 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 17 L 8.77 4.77 0.00 1.71 1.66 0.61 0.90 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 18 K 8.67 4.61 0.00 1.77 1.52 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 V 8.85 4.61 2.15 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 0.98 0.00 0.00 0.90 0.00 0.00 20 R 8.51 5.11 0.00 1.87 1.66 0.00 3.20 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 21 G 8.70 3.70 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 0.00 0.00 0.00 22 E 8.30 5.22 0.00 2.13 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 2.05 2.17 0.00 23 L 9.26 5.13 0.00 1.62 1.67 1.10 1.02 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 24 A 8.61 4.44 1.29 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 25 P 0.00 4.26 0.00 2.06 2.12 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 2.03 2.07 0.00 26 D 7.85 4.81 0.00 2.81 2.76 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 0.00 0.00 0.00 27 A 8.18 4.30 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 28 K 9.48 4.61 0.00 1.93 1.84 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 29 S 7.81 4.59 0.00 3.66 3.67 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 30 F 7.62 5.21 0.00 3.24 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 31 V 9.66 4.66 2.16 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 1.02 0.00 0.00 0.85 0.00 0.00 32 L 8.95 5.30 0.00 1.94 1.66 1.24 0.64 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 33 N 9.46 5.58 0.00 2.76 2.93 0.00 0.00 6.32 6.29 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 34 L 9.95 5.34 0.00 1.54 1.48 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.92 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 0.00 0.00 0.00 0.00 36 K 8.89 4.19 0.00 1.67 1.84 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 D 7.16 3.89 0.00 2.45 2.56 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 38 S 7.81 3.89 0.00 3.90 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 39 N 8.85 4.58 0.00 2.70 2.81 0.00 0.00 6.58 6.78 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 40 N 7.91 5.35 0.00 2.65 2.65 0.00 0.00 6.76 6.82 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 41 L 8.80 5.82 0.00 1.66 1.78 1.04 0.99 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 42 C 8.99 4.44 0.00 3.06 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 43 L 7.84 4.64 0.00 1.80 1.52 0.76 0.81 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 44 H 9.15 5.14 0.00 3.56 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.20 4.57 0.00 3.06 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 46 N 8.49 5.16 0.00 2.33 2.36 0.00 0.00 6.82 7.06 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 47 P 0.00 4.41 0.00 1.59 1.41 0.00 2.61 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 48 R 8.52 4.01 0.00 1.49 1.61 0.00 2.88 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.36 0.00 49 F 7.41 5.33 0.00 3.04 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 50 N 7.35 4.30 0.00 2.64 2.80 0.00 0.00 7.07 7.96 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 *55 A 8.09 3.97 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 56 N 8.04 4.64 0.00 2.91 2.85 0.00 0.00 7.05 7.05 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 57 T 7.11 4.44 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 1.06 0.00 0.00 58 I 7.86 4.43 1.62 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 0.92 0.42 0.64 0.00 0.00 59 V 8.07 3.94 1.83 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 0.80 0.00 0.00 0.75 0.00 0.00 60 C 8.77 5.45 0.00 2.87 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 0.00 0.00 0.00 61 N 7.93 5.34 0.00 2.75 2.82 0.00 0.00 6.63 7.63 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 62 S 8.88 5.40 0.00 4.16 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 0.00 63 K 9.19 4.83 0.00 0.99 1.32 0.00 1.08 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.58 7.81 64 D 8.73 4.91 0.00 2.73 2.45 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 65 D 9.65 4.27 0.00 2.72 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 0.00 0.00 0.00 0.00 66 G 8.41 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 67 T 8.17 4.34 4.22 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 1.20 0.00 0.00 68 W 8.50 4.78 0.00 3.23 3.21 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 69 G 8.68 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 0.00 0.00 0.00 0.00 70 T 8.73 4.04 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 1.25 0.00 0.00 71 E 8.84 4.21 0.00 1.92 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 2.25 2.25 0.00 72 Q 8.95 4.50 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 73 R 8.49 4.92 0.00 1.66 1.72 0.00 3.32 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 74 E 8.57 4.46 0.00 1.71 1.83 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 1.93 1.61 0.00 *81 P 0.00 3.89 0.00 2.14 2.03 0.00 3.60 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 82 G 8.76 4.20 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 0.00 83 S 7.60 4.68 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 84 I 8.48 5.23 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 0.99 1.63 0.95 0.00 0.00 85 T 8.20 4.57 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 1.26 0.00 0.00 86 E 8.47 5.14 0.00 1.98 1.83 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 2.20 2.44 0.00 87 V 8.82 4.51 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 0.68 0.00 0.00 1.03 0.00 0.00 *89 I 8.10 4.34 1.79 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 1.06 0.31 0.85 0.00 0.00 90 T 8.81 5.32 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 1.27 0.00 0.00 91 F 8.64 5.57 0.00 3.21 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 92 D 8.24 4.20 0.00 2.61 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 93 Q 8.81 4.09 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 94 A 8.22 4.10 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 95 D 8.91 5.03 0.00 2.85 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 96 L 9.13 5.00 0.00 1.79 1.69 1.22 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 97 T 9.60 4.64 4.20 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 1.12 0.00 0.00 98 I 7.71 4.12 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.49 0.28 0.00 0.00 99 K 8.21 4.67 0.00 1.62 1.60 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.47 7.81 100 L 8.73 4.43 0.00 2.08 1.71 1.25 0.96 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 0.00 101 P 0.00 4.32 0.00 2.21 2.24 0.00 3.86 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 102 D 8.09 4.57 0.00 2.85 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 G 8.09 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 0.00 104 H 8.13 4.37 0.00 3.34 3.66 0.00 5.77 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.09 4.87 0.00 2.00 1.74 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 2.13 2.24 0.00 106 F 7.95 5.16 0.00 3.22 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 0.00 107 K 8.93 5.24 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.43 7.81 108 F 8.93 5.06 0.00 3.27 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 0.00 109 P 0.00 4.53 0.00 1.92 1.88 0.00 2.62 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.62 0.00 110 N 8.61 4.74 0.00 2.88 3.03 0.00 0.00 7.09 7.24 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 0.00 111 R 8.05 3.91 0.00 1.88 2.01 0.00 3.34 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 112 L 7.92 4.00 0.00 1.66 1.76 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.97 4.30 0.00 2.90 2.92 0.00 0.00 7.18 7.74 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 0.00 114 M 8.15 4.48 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 115 E 8.73 4.59 0.00 2.02 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 0.00 2.28 2.49 0.00 116 A 7.70 5.04 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 0.00 117 I 8.67 4.43 1.70 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.22 0.91 0.00 0.00 118 N 9.20 5.06 0.00 2.75 2.83 0.00 0.00 5.94 6.79 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 0.00 119 Y 7.87 5.32 0.00 3.14 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 0.00 120 M 8.59 5.61 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 121 A 8.26 4.98 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 0.00 122 A 8.94 5.32 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 0.00 123 D 9.17 4.72 0.00 2.87 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 0.00 124 G 8.92 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 0.00 0.00 0.00 125 D 8.50 4.92 0.00 2.93 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 0.00 126 F 8.01 4.86 0.00 2.59 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 0.00 127 K 8.24 4.23 0.00 1.76 1.58 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.27 7.81 128 I 7.95 3.75 1.73 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 1.17 0.86 0.80 0.00 0.00 129 K 8.97 4.37 0.00 1.43 1.68 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.22 7.81 *131 V 7.76 3.96 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 0.38 0.00 0.00 0.86 0.00 0.00 132 A 8.58 4.62 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 0.00 133 F 8.74 4.97 0.00 2.92 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 0.00 134 E 9.46 4.38 0.00 1.85 1.84 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 2.23 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.