NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.2784 8.1731 122.5040 54.3697 43.1776 176.0753 16 G 3.5748 8.6610 112.7450 45.5789 0.0000 170.6833 17 R 4.5825 9.0029 124.3103 54.6863 34.9190 171.5161 18 N 5.3613 8.4239 119.9479 52.4920 41.0555 173.8321 19 H 5.2678 9.0959 118.2913 54.1060 33.3955 172.3479 20 V 4.9733 9.0179 122.6962 61.2812 33.8797 174.3978 21 V 4.8175 9.5043 127.8881 61.1763 34.1137 173.8516 22 L 4.9564 9.1076 128.7420 53.0647 43.7778 175.4052 23 F 4.5332 9.1467 127.7252 57.1293 39.6502 176.0350 24 Q 3.2724 7.9176 127.6705 54.5919 26.7500 173.0503 25 P 4.5168 0.0000 0.0000 63.4402 32.2574 177.4414 26 Q 4.7736 9.3984 118.9781 55.8648 31.0936 176.3333 27 I 4.3819 7.9947 119.5793 58.5646 39.1543 174.3080 28 P 2.9700 0.0000 0.0000 65.2242 31.1964 178.4877 29 A 3.8587 7.6971 118.7873 55.0367 18.2200 179.2188 30 N 4.2186 7.9681 114.5055 56.9499 38.6950 177.6309 31 T 4.0193 7.7744 116.7527 66.4736 68.6540 177.1274 32 G 3.5844 8.2980 108.0136 47.8400 0.0000 175.5886 33 N 4.3881 8.2527 118.8006 56.0494 38.5343 177.6367 34 I 3.6070 7.9607 121.1759 64.1900 37.1300 178.1785 35 A 3.9916 8.1203 121.6986 55.1302 18.1924 179.6334 36 R 3.8011 7.8473 116.6051 59.9096 30.0746 178.6378 37 T 3.9246 8.0261 115.6018 67.0619 68.5075 176.1495 38 C 4.0637 8.5502 118.4777 62.9417 27.9491 176.1921 39 A 4.0333 8.0405 120.9093 55.0410 18.0151 179.2720 40 A 4.1876 8.0698 118.6648 54.1843 18.5763 178.7607 41 T 4.3782 7.2570 105.4078 60.4661 69.6783 173.7931 42 N 4.2742 8.1363 117.2110 54.9485 36.1268 173.6143 43 T 4.5860 7.6748 114.0482 62.3351 70.0336 175.5486 44 S 4.5473 8.4105 121.8391 58.2290 64.6451 172.7979 45 L 5.2243 8.8335 124.9228 53.6644 44.8820 174.8160 46 H 5.5203 9.4638 122.6943 54.1434 32.9304 172.4845 47 I 4.9500 8.7830 122.9704 59.5663 40.9872 174.4495 48 I 4.8022 8.6337 128.7104 60.4441 38.1452 176.0811 49 R 4.5168 9.4136 127.6090 55.4123 30.8375 174.5407 50 P 4.6788 0.0000 0.0000 61.8558 33.4201 175.5764 51 M 4.0297 8.3521 121.1344 55.3721 32.4159 176.7563 52 G 3.9362 8.6400 109.8199 45.9258 0.0000 173.7673 53 F 5.0242 6.7479 113.6517 53.9635 40.9639 172.6222 54 P 4.3535 0.0000 0.0000 62.7342 31.8621 176.1003 55 I 4.0913 8.2110 121.8649 60.7368 37.0722 175.1177 56 D 4.7874 8.4709 126.1378 52.1465 42.0205 175.1187 57 D 4.5057 8.7933 127.6260 57.1238 41.5801 178.3611 58 K 3.9198 8.1130 116.7365 59.8942 32.4188 177.8602 59 K 3.9989 7.9684 116.2635 56.8612 32.1439 177.5685 60 M 3.2404 7.6704 117.2284 54.5101 31.3553 175.5855 *71 L 3.8981 8.0452 119.8101 55.1278 42.8439 175.7816 72 D 4.6199 8.4421 126.1886 53.3470 41.2466 174.2061 73 V 4.8217 8.0108 124.4004 61.0628 34.2595 174.1516 74 H 4.9973 8.9803 123.4102 54.0424 32.7805 172.4063 75 F 5.3281 8.7102 119.6347 56.0210 42.1709 174.3636 76 Y 4.8197 8.8919 117.9558 56.3414 41.6170 176.6212 77 D 4.1848 9.2812 123.0884 57.2032 41.5173 176.7829 78 S 4.6797 7.6637 111.7569 56.3851 66.3354 176.5409 79 L 3.9743 8.3126 122.3364 57.9755 41.3648 179.0916 80 N 4.3360 8.3060 116.4187 57.1266 38.6040 176.4675 81 D 4.4416 8.1436 119.5990 57.2116 40.8537 178.4794 82 F 3.6625 8.2425 121.2383 61.4607 39.0952 177.1929 83 M 3.6317 8.2124 117.4058 58.0828 31.7427 178.1935 84 N 4.4100 7.8955 115.7577 55.3230 38.7719 176.4805 85 I 4.1967 6.7025 117.9857 60.7180 38.4734 175.7680 86 C 3.2710 7.0376 121.1667 58.8950 31.4927 172.6852 87 S 4.3572 8.8664 120.7889 57.1694 64.9062 172.2280 88 G 3.8628 8.0021 118.1349 45.1986 0.0000 171.6660 89 K 4.4157 8.8968 123.9647 54.8551 33.9765 175.4946 90 L 4.9884 8.3137 126.8584 53.6880 44.0714 174.9915 91 H 5.1487 9.2144 122.7059 54.0410 32.3739 172.3460 92 L 4.8380 8.7264 123.7803 53.4822 43.4582 175.7214 93 I 4.7536 8.3791 126.4636 60.4263 37.7119 175.1928 94 T 4.6862 8.8716 117.0807 59.7865 72.3067 175.2973 95 K 3.7598 8.4872 120.6320 58.3930 32.1409 178.3266 96 F 5.1144 7.6318 114.3138 56.8893 39.6598 175.1569 97 A 4.2471 7.5211 123.2710 52.6044 18.6104 177.8361 98 N 4.8956 8.4974 118.1601 52.7084 39.4074 175.3426 99 K 4.5743 7.6933 116.9996 55.5310 35.6725 174.1344 100 T 4.9330 8.3191 122.1113 62.2143 70.1901 175.2517 101 Y 4.3488 9.0597 124.7992 60.2935 37.8198 178.6280 102 S 4.2720 6.3469 111.8654 59.1506 63.5534 174.2122 103 D 4.4748 7.8759 120.5900 54.9153 41.2081 176.5583 104 E 3.7959 7.3358 119.7443 55.7465 30.0888 175.2979 105 N 4.4323 8.1713 123.6573 52.6369 39.4903 174.1226 106 Y 4.4938 8.0869 122.1527 58.0026 39.1969 176.2512 107 D 4.7175 8.0740 122.2553 52.4127 39.7237 174.1195 108 D 4.6424 7.4755 118.8123 52.8530 41.8685 176.6143 109 S 4.7216 8.6252 116.5861 58.8782 63.2663 173.6846 110 E 4.3282 8.1530 120.3356 55.9761 30.5288 176.4005 111 H 4.6213 8.7369 119.2153 56.3983 30.3111 173.9975 112 H 5.1852 9.1776 120.3087 54.2439 31.5488 172.4589 113 Y 4.9834 9.1124 121.9999 56.2731 40.3723 174.7885 114 F 5.1593 9.2801 123.7494 55.8528 41.2579 174.2624 115 L 5.0313 8.7993 127.5511 53.4279 43.8771 175.0600 116 F 5.0774 9.2206 125.0696 55.5255 42.1934 175.7856 117 G 4.4568 8.7820 110.3605 45.2979 0.0000 173.2857 118 R 4.3079 8.7130 118.3185 55.9736 30.6744 178.0715 119 E 4.0326 8.9729 121.1877 59.3059 29.7235 178.1038 120 D 4.6522 8.0886 116.4178 54.4537 40.3192 177.0268 121 K 4.5187 7.7976 115.0027 54.5388 34.6541 178.1304 122 G 3.8395 8.0912 107.2933 45.9722 0.0000 173.1128 123 L 4.3266 8.1903 121.3529 52.3402 43.8081 175.1180 124 P 4.2987 0.0000 0.0000 62.8234 32.8268 176.9590 125 E 3.9979 9.1053 124.6059 60.8692 29.4666 180.6353 126 E 4.0418 8.1574 117.2679 60.8989 29.9429 180.7295 127 F 4.2511 8.1964 120.6990 61.6049 39.3142 177.0309 128 M 4.2098 8.1411 119.8483 59.0479 31.7998 179.3479 129 R 4.0791 7.5488 120.0164 61.3928 29.7033 180.5020 130 Q 4.1883 8.0279 119.5294 58.1703 29.1769 176.5423 131 H 5.1348 8.0130 116.2620 54.3747 29.8263 176.6214 132 S 4.1847 8.0929 117.4569 61.2316 63.0799 175.8518 133 E 4.0750 8.1722 118.1969 58.1218 29.5780 177.8528 134 K 4.3646 8.3143 118.7359 56.3512 32.6820 175.6640 135 A 5.0004 7.5996 121.3742 51.2257 19.8188 177.1276 136 L 5.1832 9.4342 120.5863 52.9562 46.4003 175.9121 137 R 5.2159 9.0577 118.1218 53.7458 33.1429 174.7523 138 I 4.7526 8.1161 120.7581 59.0589 38.0154 174.2645 139 P 4.4352 0.0000 0.0000 62.8131 31.8455 176.3393 140 V 4.4897 7.9515 113.7865 59.5527 35.5926 174.5092 141 N 4.7068 8.5903 120.5131 52.5609 39.0577 174.1554 142 D 5.3772 8.6070 124.1478 53.0560 39.7861 176.8460 143 Q 4.0586 7.9202 122.5403 59.4227 29.1011 176.9575 144 H 4.8363 8.1965 111.7073 56.3809 31.3414 174.5976 145 V 4.5844 7.4447 110.4055 59.6587 34.8831 176.2741 146 R 4.4391 8.5036 120.0783 56.9599 30.8317 176.4081 147 S 4.6112 7.5625 110.4563 56.9715 65.8322 173.2612 148 L 4.5360 8.0019 120.7781 53.0593 43.2839 176.8927 149 N 4.3431 8.4318 118.5872 53.7438 40.5763 175.4928 150 L 3.9144 8.4794 128.8001 58.4696 42.3437 179.6088 151 S 3.9967 7.9260 113.5622 61.2814 62.9756 175.9640 152 N 4.2768 8.0440 119.9989 56.3555 38.3669 177.2229 153 T 3.8281 7.9538 111.3119 64.6363 68.7110 176.7721 154 V 3.1366 7.6260 121.0876 65.6417 31.5044 177.5289 155 C 4.1148 7.9029 118.6208 62.7691 31.3675 175.4737 156 M 4.1244 7.9599 118.6167 58.3731 30.7507 178.5962 157 I 3.5164 7.7293 120.8746 64.0120 37.1819 178.5358 158 V 3.1086 7.7649 119.2466 66.1691 31.3620 177.7339 159 Y 3.7820 8.1558 116.2595 60.4217 37.6611 177.7926 160 E 3.9695 8.5773 120.8557 59.0641 29.7569 178.4933 161 A 3.6879 7.4503 120.7459 55.2034 18.4149 179.4846 162 L 3.6432 7.7509 117.4983 57.7267 41.5946 179.6633 163 R 2.8675 7.9757 118.7755 59.4973 29.8116 178.6912 164 Q 4.0754 7.7534 116.0405 58.6058 29.0170 177.7915 165 Q 4.3207 7.9523 117.5386 55.1060 28.5134 175.7185 166 D 4.3126 7.9607 117.9990 55.1599 40.3965 173.6594 167 F 3.8026 8.1843 112.7808 57.9142 37.3382 177.3354 168 I 3.8693 7.7870 123.5385 64.1489 37.4245 178.0851 169 G 3.8161 8.1963 106.0320 47.1627 0.0000 175.3828 170 L 4.0874 7.8296 120.2051 57.2275 41.6830 178.3062 171 E 4.4437 8.1224 116.2986 56.1890 30.2964 176.3791 172 L 4.5435 7.2446 120.1938 53.9139 42.7764 179.1523 173 S 4.1686 8.3542 115.8939 62.3468 62.6723 175.6387 174 H 4.1749 8.0466 118.6622 59.4286 29.7545 177.0277 175 T 4.0316 7.6554 116.2549 66.8319 68.6104 175.7680 176 Y 4.5861 7.8053 118.4168 61.0298 37.7076 176.5250 177 A 4.2158 7.9296 125.9113 52.6223 18.4797 176.9288 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 15 L 8.17 4.28 0.00 1.69 1.80 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.66 3.57 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 17 R 9.00 4.58 0.00 1.55 1.56 0.00 2.89 0.00 0.00 2.76 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.61 0.00 18 N 8.42 5.36 0.00 2.65 2.83 0.00 0.00 6.61 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 19 H 9.10 5.27 0.00 2.53 3.05 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.02 4.97 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 1.04 0.00 0.00 1.01 0.00 0.00 21 V 9.50 4.82 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 0.13 0.00 0.00 0.85 0.00 0.00 22 L 9.11 4.96 0.00 1.58 1.59 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.15 4.53 0.00 2.88 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 24 Q 7.92 3.27 0.00 1.58 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 25 P 0.00 4.52 0.00 2.40 2.25 0.00 3.52 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 26 Q 9.40 4.77 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 27 I 7.99 4.38 1.90 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 1.65 1.46 0.84 0.00 0.00 28 P 0.00 2.97 0.00 1.76 1.31 0.00 3.38 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 29 A 7.70 3.86 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 30 N 7.97 4.22 0.00 2.89 2.84 0.00 0.00 7.16 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 31 T 7.77 4.02 4.41 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 1.37 0.00 0.00 32 G 8.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.39 0.00 2.91 2.83 0.00 0.00 7.01 6.57 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 34 I 7.96 3.61 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.49 0.83 0.00 0.00 35 A 8.12 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 3.80 0.00 1.92 2.10 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 37 T 8.03 3.92 4.38 0.00 0.00 0.00 0.00 0.00 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 38 C 8.55 4.06 0.00 3.05 3.19 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 39 A 8.04 4.03 1.36 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 40 A 8.07 4.19 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 41 T 7.26 4.38 4.05 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 1.05 0.00 0.00 42 N 8.14 4.27 0.00 3.15 3.22 0.00 0.00 6.95 7.54 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 43 T 7.67 4.59 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 44 S 8.41 4.55 0.00 3.82 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 45 L 8.83 5.22 0.00 1.70 1.43 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.46 5.52 0.00 3.04 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.78 4.95 1.34 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.95 0.00 0.00 48 I 8.63 4.80 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 1.36 1.52 1.03 0.00 0.00 49 R 9.41 4.52 0.00 1.77 1.84 0.00 3.12 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 50 P 0.00 4.68 0.00 2.01 2.08 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 51 M 8.35 4.03 0.00 1.09 1.53 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 52 G 8.64 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 0.00 0.00 0.00 53 F 6.75 5.02 0.00 3.05 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 54 P 0.00 4.35 0.00 2.25 2.12 0.00 3.93 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 2.09 2.04 0.00 55 I 8.21 4.09 1.88 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 1.27 0.78 0.97 0.00 0.00 56 D 8.47 4.79 0.00 2.64 2.59 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 0.00 57 D 8.79 4.51 0.00 2.80 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 58 K 8.11 3.92 0.00 1.90 1.94 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.47 7.81 59 K 7.97 4.00 0.00 1.92 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.56 7.81 60 M 7.67 3.24 0.00 2.20 2.18 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 2.76 2.46 0.00 *71 L 8.05 3.90 0.00 1.61 1.63 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.44 4.62 0.00 2.85 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 73 V 8.01 4.82 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 0.58 0.00 0.00 0.88 0.00 0.00 74 H 8.98 5.00 0.00 3.16 2.98 0.00 5.61 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 75 F 8.71 5.33 0.00 2.73 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 76 Y 8.89 4.82 0.00 2.98 3.06 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 77 D 9.28 4.18 0.00 2.89 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 78 S 7.66 4.68 0.00 4.06 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 79 L 8.31 3.97 0.00 1.68 1.65 0.60 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.31 4.34 0.00 2.85 2.88 0.00 0.00 7.20 8.49 0.00 0.00 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 D 8.14 4.44 0.00 3.01 2.91 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 82 F 8.24 3.66 0.00 2.27 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 83 M 8.21 3.63 0.00 1.91 2.22 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.11 0.00 84 N 7.90 4.41 0.00 2.84 2.85 0.00 0.00 6.93 7.33 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 85 I 6.70 4.20 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.97 0.00 0.00 86 C 7.04 3.27 0.00 1.23 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 0.00 0.00 0.00 87 S 8.87 4.36 0.00 3.71 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 88 G 8.00 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 89 K 8.90 4.42 0.00 1.50 1.61 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.27 7.81 90 L 8.31 4.99 0.00 1.51 1.43 1.10 0.95 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 91 H 9.21 5.15 0.00 3.01 3.26 0.00 5.65 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 92 L 8.73 4.84 0.00 1.67 1.61 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.38 4.75 1.32 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 0.62 0.07 0.90 0.00 0.00 94 T 8.87 4.69 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 1.22 0.00 0.00 95 K 8.49 3.76 0.00 0.79 0.74 0.00 1.25 0.00 0.00 1.43 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 1.19 7.81 96 F 7.63 5.11 0.00 3.09 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 97 A 7.52 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.90 0.00 2.75 2.87 0.00 0.00 6.70 7.61 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 99 K 7.69 4.57 0.00 1.75 1.62 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.45 7.81 100 T 8.32 4.93 4.40 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 0.00 0.00 1.11 0.00 0.00 101 Y 9.06 4.35 0.00 3.37 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 0.00 102 S 6.35 4.27 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 0.00 103 D 7.88 4.47 0.00 2.69 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 0.00 104 E 7.34 3.80 0.00 1.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.66 0.00 105 N 8.17 4.43 0.00 2.57 2.59 0.00 0.00 6.95 7.54 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 0.00 106 Y 8.09 4.49 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 0.00 107 D 8.07 4.72 0.00 2.67 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 0.00 108 D 7.48 4.64 0.00 2.79 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 0.00 109 S 8.63 4.72 0.00 3.90 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 0.00 110 E 8.15 4.33 0.00 1.92 1.80 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 2.35 2.43 0.00 111 H 8.74 4.62 0.00 3.33 3.12 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 9.18 5.19 0.00 3.25 2.85 0.00 5.58 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.11 4.98 0.00 2.76 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 0.00 114 F 9.28 5.16 0.00 3.15 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 0.00 115 L 8.80 5.03 0.00 1.70 1.62 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.22 5.08 0.00 3.00 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 0.00 117 G 8.78 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.71 4.31 0.00 2.09 2.13 0.00 3.25 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 119 E 8.97 4.03 0.00 1.97 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 0.00 2.33 2.40 0.00 120 D 8.09 4.65 0.00 2.81 2.82 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 0.00 121 K 7.80 4.52 0.00 1.82 1.92 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.44 7.81 122 G 8.09 3.84 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 0.00 0.00 0.00 123 L 8.19 4.33 0.00 1.61 1.42 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.30 0.00 2.09 1.96 0.00 2.89 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 125 E 9.11 4.00 0.00 2.08 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 2.45 2.52 0.00 126 E 8.16 4.04 0.00 1.97 1.95 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 2.31 1.93 0.00 127 F 8.20 4.25 0.00 3.06 3.12 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 0.00 128 M 8.14 4.21 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.63 0.00 129 R 7.55 4.08 0.00 1.89 1.84 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 130 Q 8.03 4.19 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.39 0.00 0.00 0.00 0.00 0.00 2.10 1.81 0.00 131 H 8.01 5.13 0.00 2.99 3.04 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.09 4.18 0.00 4.00 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 0.00 133 E 8.17 4.08 0.00 2.19 2.23 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 2.32 2.35 0.00 134 K 8.31 4.36 0.00 1.92 2.02 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.34 7.81 135 A 7.60 5.00 1.31 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 0.00 0.00 136 L 9.43 5.18 0.00 1.65 1.67 1.18 0.86 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 0.00 137 R 9.06 5.22 0.00 1.87 2.09 0.00 3.08 0.00 0.00 3.50 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 138 I 8.12 4.75 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.49 0.75 0.00 0.00 139 P 0.00 4.44 0.00 2.12 2.05 0.00 3.90 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 140 V 7.95 4.49 2.10 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 0.77 0.00 0.00 0.95 0.00 0.00 141 N 8.59 4.71 0.00 2.68 2.75 0.00 0.00 7.04 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.61 5.38 0.00 2.87 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 0.00 143 Q 7.92 4.06 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.77 0.00 0.00 0.00 0.00 0.00 1.99 2.24 0.00 144 H 8.20 4.84 0.00 3.17 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.44 4.58 2.10 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 0.99 0.00 0.00 0.95 0.00 0.00 146 R 8.50 4.44 0.00 1.80 1.99 0.00 3.29 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 147 S 7.56 4.61 0.00 3.90 3.76 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 0.00 148 L 8.00 4.54 0.00 1.63 1.60 0.87 0.97 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 0.00 149 N 8.43 4.34 0.00 2.80 2.66 0.00 0.00 6.56 6.66 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 0.00 150 L 8.48 3.91 0.00 1.79 1.62 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 151 S 7.93 4.00 0.00 4.00 4.15 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 0.00 152 N 8.04 4.28 0.00 2.90 2.86 0.00 0.00 6.91 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 0.00 153 T 7.95 3.83 4.34 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 1.23 0.00 0.00 154 V 7.63 3.14 1.91 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 0.84 0.00 0.00 -0.11 0.00 0.00 155 C 7.90 4.11 0.00 3.03 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 0.00 156 M 7.96 4.12 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.72 0.00 157 I 7.73 3.52 2.05 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 1.60 1.01 0.25 0.00 0.00 158 V 7.76 3.11 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 0.81 0.00 0.00 0.84 0.00 0.00 159 Y 8.16 3.78 0.00 3.22 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 0.00 160 E 8.58 3.97 0.00 2.37 2.23 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 2.56 2.59 0.00 161 A 7.45 3.69 0.94 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 0.00 0.00 162 L 7.75 3.64 0.00 1.51 1.33 0.35 1.01 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 0.00 163 R 7.98 2.87 0.00 1.91 2.03 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 164 Q 7.75 4.08 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.80 0.00 165 Q 7.95 4.32 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.15 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 166 D 7.96 4.31 0.00 2.83 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 0.00 167 F 8.18 3.80 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 0.00 168 I 7.79 3.87 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 1.46 1.58 0.98 0.00 0.00 169 G 8.20 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 0.00 0.00 0.00 170 L 7.83 4.09 0.00 1.92 1.81 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.12 4.44 0.00 1.97 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 2.30 2.36 0.00 172 L 7.24 4.54 0.00 0.39 0.76 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 173 S 8.35 4.17 0.00 3.87 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 0.00 174 H 8.05 4.17 0.00 3.14 3.30 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.66 4.03 4.01 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 1.18 0.00 0.00 176 Y 7.81 4.59 0.00 3.00 2.90 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 0.00 177 A 7.93 4.22 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 * Residues marked with a * may have inaccurate shift predictions.