NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1229 8.0549 120.4072 62.5607 31.8397 174.4373 3 Q 4.2309 8.4161 127.6102 55.1366 29.8671 173.9274 4 L 5.3418 8.7924 122.7325 52.9756 45.8155 175.6990 5 Q 4.4537 9.1584 124.1481 54.3703 31.2812 174.1665 6 E 4.9100 8.8332 127.0827 55.7473 30.1568 175.9862 7 S 4.6756 9.7815 120.6414 57.4406 65.3157 174.6847 8 G 4.2746 7.9046 109.6952 47.7286 0.0000 173.5717 9 G 3.9023 8.3569 106.2221 44.5012 0.0000 175.4493 10 G 4.0322 7.5056 107.1347 46.2993 0.0000 172.0918 11 L 4.9132 8.4642 125.0211 52.6649 43.0136 176.3524 12 V 4.4394 8.0339 121.4850 60.7473 34.7874 173.0286 13 Q 4.8475 8.4643 122.7445 54.2024 31.5139 174.4831 14 A 4.4049 7.7700 124.8280 53.3665 18.5738 178.1137 15 G 3.8088 9.1219 110.6510 45.3732 0.0000 173.2590 16 G 4.0277 7.5214 107.5952 44.9720 0.0000 173.0594 17 S 5.3308 8.1463 114.6893 55.7612 65.9655 173.9733 18 L 4.3966 7.9838 123.4964 53.9063 45.5066 173.6403 19 R 4.9043 8.4318 125.5684 54.6902 32.9923 174.6731 20 L 4.6658 8.4899 124.2607 53.1486 45.4664 175.4536 21 S 5.7769 9.5789 120.7304 55.9513 66.0066 172.3622 22 C 5.4647 9.1509 124.3463 55.1649 45.7816 172.1986 23 T 5.2312 9.1128 122.6635 61.1452 70.4190 173.2655 24 A 5.2566 8.3745 128.1912 50.1061 20.5520 176.8510 25 S 4.4109 8.8985 117.9716 61.1517 63.5036 174.7277 26 R 4.4588 7.6269 113.4388 54.4591 32.0971 173.8787 27 R 2.5100 7.6903 117.8922 54.6942 30.9664 176.8225 28 T 4.2063 7.7632 111.4384 61.2927 69.9497 175.6900 29 G 3.6451 7.1346 109.4239 45.3681 0.0000 172.9343 30 S 4.4169 8.2296 117.9801 58.2338 64.7082 173.0732 31 N 4.3236 8.8037 114.5445 52.9004 35.9991 175.0295 32 W 4.9835 8.9412 128.4517 58.0676 32.0325 174.8304 33 C 5.4394 8.9265 125.7990 57.3839 30.9334 173.2364 34 M 5.1989 7.6641 121.1932 52.8726 35.7064 174.5810 35 G 4.0964 7.4916 109.7304 45.5599 0.0000 171.1051 36 W 6.0563 9.1072 118.9355 53.8304 34.0989 174.3511 37 F 5.5290 8.4426 118.8990 55.0322 40.1601 173.9855 38 R 4.7919 8.9135 120.5906 54.2230 30.4597 174.9521 39 Q 5.0646 8.6782 119.7377 54.3680 31.6414 174.4825 40 L 4.6959 8.0852 120.4502 53.7305 44.4976 176.5691 41 A 3.4447 9.6041 128.4412 53.4242 15.7564 177.7033 42 G 3.9129 8.4122 105.6923 46.4643 0.0000 174.1053 43 K 4.2658 7.4062 118.6151 55.1832 32.8229 176.2439 44 E 4.1667 8.4716 121.8235 55.5824 30.0528 174.5461 45 P 4.4229 0.0000 0.0000 63.1660 32.2232 175.2018 46 E 4.6802 8.8539 124.4521 53.8777 31.9683 175.1506 47 L 4.3866 8.8092 127.5135 56.0734 42.3357 176.1754 48 V 4.1897 9.1889 127.3021 64.5458 32.5797 175.7137 49 V 5.0780 7.5503 118.3895 60.2827 35.3009 173.3426 50 A 4.9245 8.1209 120.7292 51.2514 23.2163 175.0657 51 L 5.1048 8.4115 121.4887 53.3095 45.3409 174.7590 52 N 4.8827 9.2920 125.8884 52.6201 39.5272 175.6504 53 F 4.1375 9.3140 126.2802 60.9012 39.2550 176.9345 54 D 4.5807 8.5214 118.5134 56.7623 40.7439 176.6421 55 Y 4.3474 8.0665 113.6364 56.7169 39.4443 174.7497 56 D 4.4523 7.9473 117.8912 55.6082 40.4315 172.6016 57 M 4.9750 8.0726 115.7389 53.3532 34.9858 175.1921 58 T 4.9177 8.6102 113.1007 59.9743 71.5964 172.7285 59 Y 4.4318 8.3332 125.9688 55.8265 41.2988 173.7523 60 Y 4.8297 7.5641 122.9565 55.5829 41.2129 175.2128 61 A 3.7380 8.4192 127.0888 51.8604 19.3971 177.9596 62 D 4.2587 9.0640 121.8396 57.5803 41.1500 179.6313 63 S 4.1909 8.0229 112.1773 60.3917 63.3994 175.0693 64 V 4.0635 7.7129 112.2835 60.1723 32.6058 175.3590 65 K 3.7907 7.2090 121.4468 57.8934 32.1721 177.0238 66 G 3.9034 8.6178 114.1311 45.3516 0.0000 173.6363 67 R 4.4903 7.8355 117.6458 56.6582 32.6398 176.1669 68 F 5.3087 8.1992 116.0207 55.9548 41.6438 175.7492 69 T 4.7201 8.7203 118.7048 62.0637 72.1913 173.2088 70 V 4.9371 8.8743 120.6837 60.3519 32.9307 175.8333 71 S 5.0114 9.4375 119.6794 56.7211 66.8872 172.8681 72 R 5.1064 8.3784 115.4822 54.8703 33.0141 173.3738 73 D 5.0018 8.2338 120.8780 52.2015 43.2240 175.7101 74 S 4.2555 8.9463 120.4712 60.1605 62.8804 174.3527 75 G 3.9115 8.9719 112.4853 45.9897 0.0000 173.7672 76 K 4.1057 8.0941 122.2614 56.3461 32.8637 177.4089 77 N 4.1711 8.4264 114.3352 54.2442 35.4014 172.8713 78 T 5.9932 7.9316 112.2509 60.7152 72.7125 173.2433 79 V 4.7288 8.7831 128.1178 60.9731 33.8922 174.6993 *80 Y 5.0676 9.3062 127.4286 55.7440 38.8983 170.6133 81 L 5.1468 9.1254 128.3258 52.4217 44.6419 174.6761 82 Q 4.7798 8.7660 128.2409 54.8244 31.2371 173.9502 83 M 4.0316 8.5069 127.1790 53.7494 33.4449 174.6170 84 N 4.8868 8.7981 122.6565 51.7743 40.3390 175.8040 85 S 3.5302 7.9239 116.8709 59.2356 61.8046 173.8671 86 L 4.0736 7.2710 119.9763 55.4592 40.6667 177.7798 87 K 4.4727 8.2551 123.3598 54.9323 33.1912 175.0291 88 P 4.4552 0.0000 0.0000 62.7879 31.9244 175.8158 89 E 3.7816 8.6187 112.2550 57.4192 28.1465 174.8737 90 D 4.6501 7.5133 115.3741 55.2643 41.4387 176.8143 91 T 4.5756 7.9852 115.7982 63.6042 68.1461 173.2614 92 A 4.5065 8.3483 126.9984 50.9276 23.2891 174.8900 93 I 3.8738 7.4967 118.6338 60.4727 37.5952 176.4231 94 Y 4.1357 8.5243 126.6258 57.6958 38.6638 174.2118 95 Y 4.9230 8.1753 122.0468 56.4443 40.2242 174.7853 96 C 4.3169 8.5599 122.8913 56.1968 45.2918 171.8762 97 A 5.0366 8.2053 127.0152 49.9187 21.6473 175.0897 98 A 4.7288 8.9224 123.4387 50.2015 22.4360 175.2016 99 R 4.8286 8.2359 118.0727 55.2091 33.3789 173.8456 100 S 5.0829 9.0898 115.8499 56.9029 63.6805 172.7986 101 G 3.4776 9.4990 116.1926 45.0434 0.0000 174.5341 102 G 3.4420 7.8086 108.3753 43.8716 0.0000 173.2975 103 F 4.5535 7.4503 116.7587 57.7166 39.4536 175.0333 104 S 4.6796 8.2982 117.1875 57.2047 65.0935 174.4524 105 S 4.2938 8.6468 121.0614 60.4574 63.4542 173.8024 106 N 4.5177 8.1513 119.9388 53.0318 38.4849 174.4497 107 R 4.1839 8.4186 123.1866 58.0873 30.3077 177.1439 108 E 3.9238 8.3305 118.8046 58.4820 29.4571 176.5477 109 L 4.7587 7.6535 117.9657 52.5165 41.6691 174.0888 110 Y 4.6723 7.9282 117.6305 55.9325 42.2329 175.1878 111 D 4.6507 9.2317 124.7163 56.8955 41.8208 177.0180 112 G 4.4452 9.2642 105.4295 44.0342 0.0000 171.5527 113 W 5.4948 9.0421 132.9786 55.3663 33.5317 174.7237 114 G 3.9218 8.1509 114.1178 45.0937 0.0000 173.9613 115 Q 4.2085 8.8725 121.7483 59.7893 29.0142 176.1631 116 G 3.6408 7.5844 102.5263 43.9008 0.0000 173.6626 117 T 4.4119 7.9984 119.4042 59.2285 67.9984 171.6448 118 Q 3.9845 8.4733 127.0477 55.9936 30.0657 175.3320 119 V 4.5937 8.6944 125.5973 60.4540 33.2920 174.0841 120 T 4.5509 8.3137 119.1867 60.2231 70.1580 173.4772 121 V 5.4016 8.5246 127.3981 60.5421 33.4004 175.2323 122 S 4.8636 8.4294 123.0904 56.6713 66.6236 174.3041 123 S 4.2040 8.2980 113.4329 58.7764 62.5413 173.7245 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 V 8.05 4.12 2.25 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 1.15 0.00 0.00 1.09 0.00 0.00 3 Q 8.42 4.23 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 4 L 8.79 5.34 0.00 1.53 1.56 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.16 4.45 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 6 E 8.83 4.91 0.00 1.95 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 2.50 2.38 0.00 7 S 9.78 4.68 0.00 3.86 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 8 G 7.90 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 0.00 0.00 0.00 0.00 9 G 8.36 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 10 G 7.51 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 11 L 8.46 4.91 0.00 1.48 1.58 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.03 4.44 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 0.61 0.00 0.00 0.87 0.00 0.00 13 Q 8.46 4.85 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 14 A 7.77 4.40 1.28 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 0.00 0.00 15 G 9.12 3.81 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 0.00 0.00 0.00 16 G 7.52 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 17 S 8.15 5.33 0.00 3.64 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 18 L 7.98 4.40 0.00 1.54 1.18 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.43 4.90 0.00 1.82 1.65 0.00 3.16 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 20 L 8.49 4.67 0.00 0.89 0.66 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.58 5.78 0.00 3.76 3.83 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 22 C 9.15 5.46 0.00 3.26 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 23 T 9.11 5.23 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 24 A 8.37 5.26 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 4.41 0.00 3.90 4.04 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 26 R 7.63 4.46 0.00 1.71 1.80 0.00 2.94 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 27 R 7.69 2.51 0.00 1.25 1.09 0.00 2.78 0.00 0.00 2.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 28 T 7.76 4.21 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 1.31 0.00 0.00 29 G 7.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.23 4.42 0.00 4.05 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 31 N 8.80 4.32 0.00 2.97 2.89 0.00 0.00 7.26 7.68 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 32 W 8.94 4.98 0.00 3.51 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 33 C 8.93 5.44 0.00 2.68 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 34 M 7.66 5.20 0.00 1.70 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 35 G 7.49 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 36 W 9.11 6.06 0.00 3.39 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 37 F 8.44 5.53 0.00 2.97 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 38 R 8.91 4.79 0.00 1.55 1.50 0.00 2.52 0.00 0.00 2.80 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 39 Q 8.68 5.06 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 40 L 8.09 4.70 0.00 1.72 1.58 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.60 3.44 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 42 G 8.41 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 0.00 0.00 0.00 43 K 7.41 4.27 0.00 1.92 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.45 7.81 44 E 8.47 4.17 0.00 1.95 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 0.00 2.27 2.34 0.00 45 P 0.00 4.42 0.00 1.85 2.06 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 46 E 8.85 4.68 0.00 1.96 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 0.00 2.24 2.42 0.00 47 L 8.81 4.39 0.00 1.83 1.72 1.10 1.11 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 48 V 9.19 4.19 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 0.79 0.00 0.00 0.98 0.00 0.00 49 V 7.55 5.08 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 1.22 0.00 0.00 1.07 0.00 0.00 50 A 8.12 4.92 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 51 L 8.41 5.10 0.00 1.65 1.29 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.29 4.88 0.00 2.50 2.66 0.00 0.00 6.83 7.93 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 53 F 9.31 4.14 0.00 3.26 3.25 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 54 D 8.52 4.58 0.00 2.90 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 55 Y 8.07 4.35 0.00 2.85 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 56 D 7.95 4.45 0.00 2.83 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 57 M 8.07 4.97 0.00 2.19 2.05 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 2.68 2.67 0.00 58 T 8.61 4.92 3.59 0.00 0.00 0.00 0.00 0.00 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 59 Y 8.33 4.43 0.00 1.94 1.60 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 60 Y 7.56 4.83 0.00 2.60 2.50 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 61 A 8.42 3.74 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 62 D 9.06 4.26 0.00 2.68 2.73 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 63 S 8.02 4.19 0.00 3.91 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 64 V 7.71 4.06 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 0.00 0.00 0.29 0.00 0.00 0.62 0.00 0.00 65 K 7.21 3.79 0.00 1.87 1.64 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.49 7.81 66 G 8.62 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 67 R 7.84 4.49 0.00 2.21 2.28 0.00 3.11 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 68 F 8.20 5.31 0.00 2.71 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 69 T 8.72 4.72 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 1.28 0.00 0.00 70 V 8.87 4.94 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 0.95 0.00 0.00 0.89 0.00 0.00 71 S 9.44 5.01 0.00 3.83 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 72 R 8.38 5.11 0.00 2.02 1.85 0.00 3.13 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.62 0.00 73 D 8.23 5.00 0.00 3.07 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 74 S 8.95 4.26 0.00 4.06 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 75 G 8.97 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 0.00 0.00 0.00 76 K 8.09 4.11 0.00 1.98 2.07 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 77 N 8.43 4.17 0.00 2.96 2.98 0.00 0.00 6.92 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 78 T 7.93 5.99 4.35 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 1.33 0.00 0.00 79 V 8.78 4.73 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 0.47 0.00 0.00 nan 0.00 0.00 *80 Y 9.31 5.07 0.00 1.97 2.22 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 81 L 9.13 5.15 0.00 1.98 1.35 1.26 0.36 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 82 Q 8.77 4.78 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 83 M 8.51 4.03 0.00 0.57 1.38 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.41 0.00 84 N 8.80 4.89 0.00 2.62 2.67 0.00 0.00 7.10 7.12 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 85 S 7.92 3.53 0.00 4.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 4.07 0.00 1.68 1.68 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.26 4.47 0.00 1.88 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 88 P 0.00 4.46 0.00 2.22 2.20 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 89 E 8.62 3.78 0.00 2.23 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 0.00 2.19 2.25 0.00 90 D 7.51 4.65 0.00 3.03 2.92 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 91 T 7.99 4.58 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 92 A 8.35 4.51 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 93 I 7.50 3.87 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.42 0.00 0.00 94 Y 8.52 4.14 0.00 2.91 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 95 Y 8.18 4.92 0.00 3.25 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 96 C 8.56 4.32 0.00 3.23 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 97 A 8.21 5.04 0.50 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 98 A 8.92 4.73 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 99 R 8.24 4.83 0.00 1.52 1.49 0.00 2.21 0.00 0.00 2.88 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 100 S 9.09 5.08 0.00 4.14 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 0.00 101 G 9.50 3.48 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 0.00 0.00 0.00 102 G 7.81 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 0.00 103 F 7.45 4.55 0.00 2.87 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 0.00 104 S 8.30 4.68 0.00 3.75 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 0.00 105 S 8.65 4.29 0.00 4.04 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 0.00 106 N 8.15 4.52 0.00 2.73 2.85 0.00 0.00 6.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.42 4.18 0.00 1.34 1.33 0.00 2.77 0.00 0.00 2.72 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.38 0.00 108 E 8.33 3.92 0.00 1.90 2.35 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 2.27 2.32 0.00 109 L 7.65 4.76 0.00 1.63 1.56 0.92 0.67 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 0.00 110 Y 7.93 4.67 0.00 3.21 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 9.23 4.65 0.00 2.81 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.26 4.45 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 0.00 0.00 0.00 113 W 9.04 5.49 0.00 3.29 3.16 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 0.00 114 G 8.15 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 0.00 115 Q 8.87 4.21 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 116 G 7.58 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 4.41 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 1.23 0.00 0.00 118 Q 8.47 3.98 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 119 V 8.69 4.59 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.57 0.00 0.00 120 T 8.31 4.55 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 1.26 0.00 0.00 121 V 8.52 5.40 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 0.87 0.00 0.00 0.93 0.00 0.00 122 S 8.43 4.86 0.00 3.91 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 0.00 123 S 8.30 4.20 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.