NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6850 8.2227 120.2048 54.0730 42.3887 175.9369 7 Y 4.3406 8.8322 128.5127 59.8018 39.1670 174.2673 8 E 2.5400 8.9780 121.0476 58.1079 30.5484 176.5396 9 D 4.6920 7.7418 116.1347 53.5457 41.0815 176.2415 10 A 3.8963 7.5185 122.6656 52.5690 18.7510 177.8414 11 V 3.9054 7.7056 120.8818 60.9264 33.3698 175.4750 12 F 4.7659 8.1289 125.3584 55.8458 39.4809 175.6168 13 Y 4.0822 8.8570 124.2020 59.9309 38.1386 177.0989 14 F 4.9875 9.5327 116.9971 56.1431 40.0778 177.8020 15 V 2.0000 7.2146 120.7380 63.6641 30.9570 177.3122 16 D 4.5929 7.5581 116.6716 53.6857 40.9074 175.9739 17 D 4.5472 7.8204 120.8032 54.3778 41.3618 176.6571 18 D 4.8488 8.5051 120.6987 54.2069 41.9360 176.3675 19 K 4.7083 7.5179 117.1598 54.7893 36.2507 175.3075 20 I 4.7529 8.0507 120.2054 59.9027 40.7949 174.8123 21 C 5.2848 8.4527 122.4697 56.9313 30.1729 174.0118 22 S 4.6105 8.0958 116.1532 57.6846 65.8485 175.5493 23 R 4.0363 8.6561 122.4690 58.9071 29.4934 177.8144 24 D 4.6307 8.0880 116.2565 55.5312 41.1478 177.1387 25 S 4.7467 7.9716 115.3428 58.6335 63.4929 176.0611 26 I 3.6186 7.6011 123.9013 64.3396 36.8185 178.1915 27 I 3.7034 7.6838 120.1203 64.5305 36.9319 178.0046 28 D 4.4178 8.0938 119.1881 57.2348 40.6184 178.4988 29 L 3.3197 7.7612 120.7405 58.1067 41.9749 179.1994 30 I 3.7566 7.7673 119.7618 64.1325 36.9966 177.8311 31 D 4.3730 8.3480 119.1492 57.4315 41.0753 177.9885 32 E 4.1486 8.5560 119.8657 59.5618 29.7355 178.0504 33 Y 3.8580 8.3763 119.7546 60.8307 38.3441 178.1722 34 I 3.5130 8.0916 120.7928 64.5775 37.0877 178.5929 35 T 4.0132 8.1571 116.6780 66.4799 68.2652 176.4142 36 W 3.9676 8.8953 130.7621 60.6254 30.1413 178.2400 37 R 3.5799 8.0491 117.7565 58.5323 29.2607 178.6379 38 N 4.4950 7.7652 116.9492 56.9118 39.1775 176.3665 39 H 4.1169 8.6947 120.2855 59.3662 29.8951 177.5414 40 V 3.3510 7.6327 121.0782 64.2916 31.0260 178.5029 41 I 3.5574 7.2837 119.9813 63.8251 37.1067 177.9496 42 V 3.2343 7.4733 118.1981 65.4030 31.2580 176.6355 43 F 4.5336 7.7330 114.8602 56.0747 39.5104 175.3608 44 N 3.9947 7.4023 117.9608 54.4084 37.3456 173.5221 45 K 4.3462 7.8469 117.5519 55.1595 34.2803 176.8662 46 D 4.5063 8.3815 120.3629 53.7270 41.1895 177.0098 47 I 3.9187 8.3699 127.5194 63.3732 38.2555 176.4401 48 T 4.3293 8.3668 109.2017 63.2319 69.5468 175.8253 49 S 4.5918 7.7702 121.2089 56.5648 61.2422 172.3432 50 C 4.5690 7.4880 115.9091 56.8429 32.9575 174.7088 51 G 3.9600 8.3075 110.1479 44.3167 0.0000 174.7068 52 R 3.9224 8.8769 117.6159 58.8304 29.7285 179.1727 53 L 3.8373 7.8238 120.3791 58.4884 41.9784 178.5495 54 Y 3.9188 7.8988 114.7063 60.9963 37.8167 178.3645 55 K 4.1002 7.9022 118.5030 59.5350 32.2170 178.8194 56 E 4.0011 7.9616 117.8056 59.0082 29.7848 180.9087 57 L 2.7516 7.2058 120.2158 53.7569 41.2948 179.1243 *59 K 4.3144 8.1336 118.9814 56.3274 34.2529 178.0850 60 F 4.7438 7.8821 117.4169 59.4761 38.6687 177.0301 61 D 4.4739 8.2717 119.1308 57.7299 40.6296 178.3013 62 D 4.4533 8.0513 118.9721 57.3079 40.7868 179.0386 63 V 3.6336 7.8746 118.1973 65.8820 31.5179 177.7975 64 A 4.1377 8.3830 120.7170 55.2188 18.1667 179.6591 65 I 3.7334 7.9429 118.3141 64.7044 36.9946 178.7544 66 R 3.9288 8.1455 117.9678 59.4830 29.9520 178.2255 67 Y 4.0006 7.8367 118.1543 60.2930 38.9225 176.2341 68 Y 4.5411 8.2536 115.7732 56.4795 39.7743 176.8898 69 G 4.2093 8.0502 105.5546 45.8297 0.0000 174.3288 70 I 3.7794 8.1092 119.4144 63.7102 37.9378 178.1205 71 D 4.3126 8.0401 119.6352 57.2156 40.7161 178.4615 72 K 3.9210 7.9936 119.6555 59.2501 32.2486 178.5735 73 I 3.5565 7.8765 120.2341 64.6790 37.0939 178.0160 74 N 4.2108 8.3146 117.2074 56.1351 38.3226 177.0481 75 E 3.8604 8.3208 120.7429 59.4828 29.5727 178.9202 76 I 3.5989 7.9437 118.5943 64.3170 37.1622 178.3761 77 V 3.6072 7.7361 120.6169 66.4728 31.4309 178.0202 78 E 4.1818 7.9694 116.7220 61.1344 29.5203 181.6086 79 A 4.4804 7.7227 120.8982 52.9235 18.3716 178.5610 *81 S 4.5802 8.0408 117.2376 60.1918 64.2332 176.9091 *84 D 4.4410 8.0505 119.2504 54.3933 40.7475 178.6370 85 H 4.6292 8.7152 125.0215 53.7317 27.6314 174.8737 *86 Y 4.1144 8.4687 124.6558 59.8343 36.9132 177.3023 87 I 4.3151 7.4498 117.7780 57.9410 36.9107 176.2629 88 N 4.6639 8.5963 124.9135 51.1851 38.7254 175.4848 89 F 4.6038 8.5878 126.1843 60.7221 39.1765 177.3165 90 T 4.2129 8.2716 108.9247 62.8972 68.8309 175.1527 91 K 4.3538 8.0979 120.9699 56.1226 32.3775 176.0092 92 V 4.0963 7.1638 120.1976 61.9690 31.2211 174.9004 93 H 5.0296 8.4916 123.5024 54.3789 30.5794 173.2520 94 D 4.6580 7.5646 118.4668 50.7494 43.3736 175.4347 95 Q 3.2361 8.2372 120.6216 59.1375 28.9030 178.1483 96 E 3.4486 7.6779 119.6537 59.1353 29.7768 178.4777 97 S 3.0739 8.0885 113.2415 60.7390 62.3121 175.8905 98 L 3.7576 7.7455 123.2940 58.2447 41.8064 179.0451 99 F 3.6425 7.7218 117.6728 60.2240 38.5509 177.5123 100 A 3.9333 7.9322 120.8041 55.4105 17.9597 179.9262 101 T 3.9517 7.7781 114.2052 66.7439 68.5490 177.0754 102 I 3.8326 7.9847 122.0143 64.3632 37.0895 178.4828 103 G 3.8962 8.4484 106.6852 48.1689 0.0000 175.7160 104 I 3.7415 8.2545 122.7258 64.2103 37.1194 178.2894 105 C 4.0698 8.4552 117.5955 62.7866 27.8878 176.1017 106 A 3.9239 8.2350 122.2851 55.1033 17.9308 179.7864 107 K 3.8351 8.2987 117.2209 59.5349 31.9995 179.7141 108 I 3.2637 7.7644 120.3734 64.4980 37.0159 178.7235 109 T 3.9447 7.7260 110.5370 64.5074 68.5643 176.2323 110 E 4.1833 8.3191 123.8789 58.8568 29.8013 178.2404 111 H 4.0344 8.2919 118.3543 59.0340 29.8759 177.0345 112 W 4.6953 8.3222 121.0745 60.0918 28.9827 178.7169 113 G 3.6957 8.2860 105.4492 48.1205 0.0000 175.3019 114 Y 3.9191 8.3142 118.1694 60.1239 37.8408 177.8498 115 K 4.4007 7.6520 116.7333 55.0333 32.5841 176.4599 116 K 3.8081 7.8030 117.2264 57.7483 30.0267 175.3300 117 I 4.4406 8.0159 118.9337 59.4877 39.6915 174.1020 118 S 4.5946 7.7096 118.5930 59.2873 68.6798 175.6050 119 E 2.0000 7.9884 122.3947 57.5012 30.0993 179.2344 120 S 4.0758 7.4807 111.7452 59.9349 63.2221 174.8159 121 R 4.2477 7.1226 118.8147 55.5408 30.3231 175.9552 122 F 4.5837 7.3922 116.9623 59.1282 39.2607 174.7458 123 Q 3.6743 8.8563 119.9647 57.4752 25.9289 174.5423 124 S 4.7878 8.3185 110.4510 58.1856 64.5595 174.6030 125 L 4.0989 8.0164 120.2907 55.3670 41.8841 175.1581 126 G 3.5585 8.1037 102.6228 44.1132 0.0000 172.2979 127 N 4.8106 8.8526 116.2181 51.8582 39.0346 176.3263 128 I 3.6812 8.6379 124.7627 64.1303 38.2809 177.8305 129 T 4.0390 7.8584 109.0375 64.0582 69.0660 175.3500 130 D 4.5442 7.9207 122.0763 57.1747 40.9306 176.8361 131 L 4.0893 7.3031 120.5452 55.4369 41.9355 176.8060 *133 T 4.1857 7.7246 106.6278 60.9959 71.1594 173.0302 134 D 4.3817 8.4247 120.4362 57.5986 40.6790 178.6628 135 D 4.3186 8.0156 118.0793 57.3692 41.2978 177.9170 136 N 4.3356 8.1797 117.0568 56.1790 38.4430 177.2769 137 I 3.7135 8.1298 121.7075 64.6968 37.2569 178.2173 138 N 4.3650 8.3655 117.0882 56.2094 38.3617 177.4446 139 I 3.7263 8.1155 121.6552 64.3627 37.1604 178.2166 140 L 4.2416 8.1563 120.9759 58.4497 41.9481 178.8974 141 I 3.7660 8.1471 118.7950 63.9436 37.9012 177.8502 142 L 4.0385 8.2191 120.1423 57.5389 41.4225 179.1822 143 F 4.2190 8.4182 120.6140 61.4413 39.4656 177.2301 144 L 3.8963 8.4886 118.9061 57.7868 41.2721 179.3374 145 E 3.9328 8.5356 118.9303 59.3197 29.1761 179.3463 146 K 3.8976 7.8095 118.5684 59.4210 32.2898 178.7354 147 K 3.9703 7.6213 117.9837 58.2907 32.0736 178.3204 148 L 4.4860 7.4756 116.3462 54.2980 42.5572 176.2795 149 N 4.4275 8.1691 121.8348 53.7699 38.5753 174.5456 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 6 D 8.22 4.68 0.00 2.73 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 7 Y 8.83 4.34 0.00 3.27 3.26 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 8 E 8.98 2.54 0.00 1.52 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 1.92 1.47 0.00 9 D 7.74 4.69 0.00 2.78 2.60 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 10 A 7.52 3.90 1.13 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 0.00 0.00 11 V 7.71 3.91 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 0.81 0.00 0.00 12 F 8.13 4.77 0.00 3.12 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 13 Y 8.86 4.08 0.00 2.82 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 14 F 9.53 4.99 0.00 3.35 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 15 V 7.21 2.00 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 0.83 0.00 0.00 0.39 0.00 0.00 16 D 7.56 4.59 0.00 2.57 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 17 D 7.82 4.55 0.00 2.88 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 18 D 8.51 4.85 0.00 2.62 2.65 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 19 K 7.52 4.71 0.00 1.68 1.65 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 20 I 8.05 4.75 1.91 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 1.50 0.89 0.90 0.00 0.00 21 C 8.45 5.28 0.00 3.06 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 22 S 8.10 4.61 0.00 3.90 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 23 R 8.66 4.04 0.00 2.01 2.21 0.00 2.97 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 24 D 8.09 4.63 0.00 2.71 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 25 S 7.97 4.75 0.00 4.15 4.18 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 26 I 7.60 3.62 1.98 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 1.52 1.06 0.90 0.00 0.00 27 I 7.68 3.70 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 1.64 0.60 0.93 0.00 0.00 28 D 8.09 4.42 0.00 3.01 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 29 L 7.76 3.32 0.00 0.72 1.54 0.61 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.77 3.76 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.95 0.00 0.00 31 D 8.35 4.37 0.00 2.94 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 32 E 8.56 4.15 0.00 2.40 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 0.00 3.00 2.76 0.00 33 Y 8.38 3.86 0.00 2.65 3.05 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 0.00 0.00 0.00 0.00 34 I 8.09 3.51 1.95 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 1.88 1.03 0.99 0.00 0.00 35 T 8.16 4.01 4.82 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 1.79 0.00 0.00 36 W 8.90 3.97 0.00 3.29 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 37 R 8.05 3.58 0.00 1.84 1.85 0.00 3.35 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.35 0.00 38 N 7.77 4.50 0.00 2.96 3.29 0.00 0.00 6.66 7.77 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 39 H 8.69 4.12 0.00 3.50 3.19 0.00 5.64 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 40 V 7.63 3.35 0.67 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 0.10 0.00 0.00 0.51 0.00 0.00 41 I 7.28 3.56 1.88 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.58 0.00 0.00 42 V 7.47 3.23 1.62 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 -0.13 0.00 0.00 0.97 0.00 0.00 43 F 7.73 4.53 0.00 2.90 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 44 N 7.40 3.99 0.00 2.70 2.74 0.00 0.00 7.07 6.39 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 45 K 7.85 4.35 0.00 1.71 1.74 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.59 7.81 46 D 8.38 4.51 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 3.92 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.88 0.95 0.00 0.00 48 T 8.37 4.33 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 1.29 0.00 0.00 49 S 7.77 4.59 0.00 4.13 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 50 C 7.49 4.57 0.00 2.68 2.65 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 51 G 8.31 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 0.00 0.00 0.00 52 R 8.88 3.92 0.00 1.81 1.94 0.00 3.11 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 53 L 7.82 3.84 0.00 1.76 1.79 0.84 1.03 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 54 Y 7.90 3.92 0.00 2.52 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 55 K 7.90 4.10 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.64 7.81 56 E 7.96 4.00 0.00 1.92 1.76 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 2.38 2.36 0.00 57 L 7.21 2.75 0.00 0.42 0.19 0.12 0.42 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 *59 K 8.13 4.31 0.00 1.98 1.98 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.63 7.81 60 F 7.88 4.74 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.47 0.00 2.84 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 62 D 8.05 4.45 0.00 2.90 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 63 V 7.87 3.63 2.27 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 0.98 0.00 0.00 1.06 0.00 0.00 64 A 8.38 4.14 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 0.00 0.00 65 I 7.94 3.73 2.07 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 1.57 0.88 0.95 0.00 0.00 66 R 8.15 3.93 0.00 1.99 2.04 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 67 Y 7.84 4.00 0.00 2.89 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 68 Y 8.25 4.54 0.00 3.23 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 69 G 8.05 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 I 8.11 3.78 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.92 0.00 0.00 71 D 8.04 4.31 0.00 2.73 2.69 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 72 K 7.99 3.92 0.00 1.90 2.04 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.45 7.81 73 I 7.88 3.56 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.64 0.86 0.00 0.00 74 N 8.31 4.21 0.00 2.82 2.82 0.00 0.00 6.74 8.50 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 75 E 8.32 3.86 0.00 2.12 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 2.27 2.33 0.00 76 I 7.94 3.60 1.79 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.74 0.00 0.00 77 V 7.74 3.61 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 0.46 0.00 0.00 0.78 0.00 0.00 78 E 7.97 4.18 0.00 2.11 1.87 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 2.27 2.22 0.00 79 A 7.72 4.48 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 *81 S 8.04 4.58 0.00 3.67 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 *84 D 8.05 4.44 0.00 2.72 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 85 H 8.72 4.63 0.00 2.99 3.14 0.00 5.89 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 Y 8.47 4.11 0.00 2.33 2.24 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 87 I 7.45 4.32 1.87 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 1.30 1.16 0.91 0.00 0.00 88 N 8.60 4.66 0.00 2.72 2.78 0.00 0.00 7.20 7.71 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 89 F 8.59 4.60 0.00 3.13 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 90 T 8.27 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 1.28 0.00 0.00 91 K 8.10 4.35 0.00 1.80 1.89 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.52 7.81 92 V 7.16 4.10 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 0.66 0.00 0.00 0.98 0.00 0.00 93 H 8.49 5.03 0.00 3.12 3.16 0.00 5.74 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.56 4.66 0.00 2.70 2.65 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 95 Q 8.24 3.24 0.00 1.75 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 96 E 7.68 3.45 0.00 1.91 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 2.24 2.25 0.00 97 S 8.09 3.07 0.00 3.84 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 98 L 7.75 3.76 0.00 1.63 1.48 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.72 3.64 0.00 2.38 1.54 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 0.00 100 A 7.93 3.93 0.88 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 0.00 0.00 101 T 7.78 3.95 4.31 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 1.25 0.00 0.00 102 I 7.98 3.83 2.16 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 1.48 0.77 1.16 0.00 0.00 103 G 8.45 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 0.00 104 I 8.25 3.74 2.08 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.01 0.84 0.00 0.00 105 C 8.46 4.07 0.00 3.17 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 0.00 106 A 8.24 3.92 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 0.00 107 K 8.30 3.84 0.00 1.84 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.64 7.81 108 I 7.76 3.26 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 -0.55 0.00 0.00 109 T 7.73 3.94 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 1.32 0.00 0.00 110 E 8.32 4.18 0.00 2.07 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 0.00 2.33 2.35 0.00 111 H 8.29 4.03 0.00 3.24 3.28 0.00 5.85 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 0.00 112 W 8.32 4.70 0.00 3.73 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 0.00 113 G 8.29 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 0.00 114 Y 8.31 3.92 0.00 3.02 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 0.00 115 K 7.65 4.40 0.00 1.95 1.85 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 116 K 7.80 3.81 0.00 1.89 1.83 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.33 7.81 117 I 8.02 4.44 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.37 0.00 0.00 118 S 7.71 4.59 0.00 4.00 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 0.00 119 E 7.99 2.00 0.00 1.63 1.40 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 1.47 1.91 0.00 120 S 7.48 4.08 0.00 3.78 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 0.00 121 R 7.12 4.25 0.00 0.75 0.75 0.00 2.81 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 122 F 7.39 4.58 0.00 3.01 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 0.00 123 Q 8.86 3.67 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 124 S 8.32 4.79 0.00 4.02 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 0.00 125 L 8.02 4.10 0.00 1.88 2.01 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.10 3.56 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 0.00 0.00 0.00 127 N 8.85 4.81 0.00 3.10 2.87 0.00 0.00 6.46 7.26 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 0.00 128 I 8.64 3.68 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.28 0.95 0.00 0.00 129 T 7.86 4.04 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 1.24 0.00 0.00 130 D 7.92 4.54 0.00 3.15 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 0.00 131 L 7.30 4.09 0.00 0.84 1.51 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 *133 T 7.72 4.19 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 1.25 0.00 0.00 134 D 8.42 4.38 0.00 2.71 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 0.00 135 D 8.02 4.32 0.00 2.78 2.66 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 0.00 0.00 0.00 136 N 8.18 4.34 0.00 2.89 2.82 0.00 0.00 7.01 7.39 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 0.00 137 I 8.13 3.71 2.04 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 1.53 0.80 0.96 0.00 0.00 138 N 8.37 4.37 0.00 2.89 2.88 0.00 0.00 7.07 7.01 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 0.00 139 I 8.12 3.73 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.73 0.00 0.00 140 L 8.16 4.24 0.00 1.92 1.88 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.15 3.77 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.48 1.05 0.00 0.00 142 L 8.22 4.04 0.00 1.89 1.77 0.98 0.77 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 0.00 143 F 8.42 4.22 0.00 3.52 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.49 3.90 0.00 1.75 1.67 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.54 3.93 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 2.39 2.46 0.00 146 K 7.81 3.90 0.00 1.72 1.97 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.42 7.81 147 K 7.62 3.97 0.00 1.59 1.63 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.71 0.71 7.81 148 L 7.48 4.49 0.00 1.59 1.76 0.91 0.85 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 0.00 149 N 8.17 4.43 0.00 2.66 2.73 0.00 0.00 6.79 8.35 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 * Residues marked with a * may have inaccurate shift predictions.