NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.9976 8.0544 120.3910 62.6031 32.6641 174.3878 12 V 3.7250 8.3455 127.1912 61.2343 31.7921 174.5152 13 F 4.6768 8.6589 129.2750 55.6348 41.6631 173.4792 14 G 3.7264 8.5835 115.9576 43.8982 0.0000 172.3008 15 E 3.9939 8.4544 118.7073 59.2696 29.3598 179.5266 16 E 3.9416 7.9154 118.3684 59.2104 29.5804 179.2469 17 Q 3.6654 7.4878 117.7222 58.7282 28.6685 177.9327 18 E 3.9870 7.5613 119.5997 59.1852 29.5591 178.8165 19 A 3.9876 7.8664 120.8495 54.9637 18.5712 179.4631 20 L 3.9225 7.8277 117.5439 57.9765 41.7136 180.0009 21 V 3.1575 7.5065 117.7975 65.7631 31.3444 178.0275 22 L 4.1069 8.1057 119.0810 57.6472 41.6595 179.4579 23 K 3.9864 8.2650 119.0563 60.3085 32.3919 179.1294 24 S 4.3169 8.1921 115.4592 60.8010 62.8034 176.2953 25 W 4.7637 8.7132 131.8364 60.3702 30.3220 177.7513 26 A 3.7354 8.3761 120.3091 54.9818 17.4265 179.7066 27 V 3.6115 7.6152 116.4108 66.5981 31.7157 178.3575 28 M 4.0030 7.9570 118.4356 58.0368 31.5578 178.5739 29 K 3.0850 7.1514 119.0472 58.9653 32.0880 178.4531 30 K 4.0894 7.2239 116.3192 57.8150 32.5026 176.2390 31 D 4.7776 8.1181 119.7458 52.7410 41.8396 177.1518 32 A 3.9612 8.1050 121.7510 54.6758 18.6425 179.3153 33 A 3.9589 7.8811 119.0054 55.6201 18.6345 179.4688 34 N 4.3257 8.1047 114.5280 56.1755 38.6018 177.2894 35 L 3.9925 8.0428 121.9605 58.1345 42.2213 179.2952 36 G 3.9058 8.3712 105.8083 47.7401 0.0000 175.3417 37 L 4.0874 7.9965 122.5605 58.1937 42.2039 179.3114 38 R 3.9608 8.0995 117.9519 59.1045 29.9200 178.8492 39 F 4.5135 8.1458 121.8391 61.0941 39.4963 177.2937 40 F 3.4303 8.1453 117.3062 60.2270 38.5941 177.7838 41 L 4.1235 8.2493 118.9169 57.5308 41.2538 179.4506 42 K 3.9765 8.2156 119.7290 59.3965 32.1453 179.0264 43 V 3.5626 7.6662 118.5187 66.1810 31.1860 178.0058 44 F 4.8723 8.0402 117.0798 60.1305 38.5437 177.4850 45 E 4.0427 8.1778 118.8450 59.1372 29.4825 178.4081 46 I 4.2398 7.5860 118.8897 62.6582 38.4644 176.1082 47 A 4.6358 8.3048 122.8316 48.4804 19.7691 174.0419 48 P 4.4810 0.0000 0.0000 65.0545 31.2475 177.8596 49 S 4.2182 8.2233 111.5310 60.6058 62.8715 175.5698 50 A 4.0881 8.1534 124.2326 53.7645 18.6368 179.0752 51 K 3.1057 7.9830 118.8551 59.5001 31.8862 178.6997 52 Q 4.1264 7.3830 116.5407 58.5429 28.6276 178.1475 53 M 4.2026 7.8088 118.7974 57.2674 31.9758 177.4855 54 F 4.2243 8.2771 117.5838 59.4102 40.1413 176.8504 55 S 3.5893 7.8908 111.2400 59.5067 61.3278 172.2057 *65 E 4.3004 8.0268 120.0220 57.1309 31.4818 177.1795 66 K 3.5099 7.8174 116.1212 58.1686 32.4394 173.7616 67 N 4.3307 8.9863 124.9766 53.5113 37.1567 172.6225 68 P 4.5361 0.0000 0.0000 63.5231 31.4228 178.0354 69 K 3.9666 7.9924 119.7092 59.5226 32.0123 178.3806 70 L 3.7214 7.7236 118.8836 57.1525 41.2263 179.6191 71 K 4.1052 7.8420 118.2259 59.8102 32.1953 179.1711 72 T 3.9513 7.7276 116.1004 66.9253 68.4758 176.0428 73 H 4.1657 8.4648 119.7253 59.3473 30.0207 176.9575 74 A 4.0617 8.7586 122.7101 55.7377 18.2897 179.4342 75 M 4.3266 8.6236 117.2318 58.8200 31.9423 179.1236 76 S 4.2099 8.1323 115.1693 61.5429 62.9958 176.8163 77 V 3.6076 7.7781 120.5770 66.0960 31.3617 177.9609 78 F 3.7505 8.0652 117.2577 60.4406 38.7439 177.9030 79 V 3.4675 8.3096 117.8863 66.4455 31.3556 178.0572 80 M 4.0867 8.3644 118.6416 58.4846 31.7776 178.9489 81 T 3.8607 8.0431 116.1697 66.7130 68.6259 176.3242 82 C 3.8204 8.0806 120.6124 62.1845 31.5093 175.4826 83 E 3.9696 8.2907 120.3224 59.1031 28.9150 179.0880 84 A 4.0317 8.2894 121.2427 54.8713 17.9635 179.2721 85 A 3.3296 7.7295 119.1217 55.2629 18.3673 179.8250 86 A 4.3387 7.4466 119.6902 54.8596 18.5090 179.8738 87 Q 3.9545 8.0484 116.5818 59.1463 28.3395 179.1489 88 L 4.0854 8.1458 120.5347 57.2998 41.2897 179.6376 89 R 4.4056 7.7233 115.9986 58.0703 29.8710 178.3304 90 K 4.1915 8.0763 117.9478 58.3266 33.2685 177.5276 91 A 4.2174 8.4184 121.9861 51.8831 19.6226 178.2162 92 G 3.9390 9.0883 102.4161 44.8544 0.0000 172.7885 93 K 4.1464 6.9795 115.7325 55.7039 34.4947 174.7602 94 V 3.7504 8.3464 120.4713 63.1949 31.6682 176.3328 95 T 4.6002 8.4662 120.4843 60.7786 69.0832 174.8461 96 V 3.6891 7.6824 120.6290 63.7180 32.5925 175.9229 97 R 4.0012 8.5428 123.9392 56.9318 31.7007 177.9204 98 E 4.0214 8.7826 121.7794 59.7254 29.5681 179.8519 99 T 3.8787 7.8592 109.4716 64.9804 68.8285 176.7276 100 T 3.9377 7.7155 118.1179 66.3924 68.6661 176.6760 101 L 4.0430 7.9785 120.9190 57.7264 41.5719 179.7871 102 K 4.0241 8.3360 118.6889 59.4137 31.9398 179.4685 103 R 3.9216 8.1782 119.0294 59.3502 30.0496 178.5202 104 L 4.1937 8.5413 119.4778 57.7020 41.6036 179.7295 105 G 3.6519 8.6799 105.8757 47.8421 0.0000 175.6300 106 A 4.0657 8.2507 123.6393 55.0559 18.5056 179.8872 107 T 3.9391 8.1920 114.3349 67.3161 68.4973 176.7549 108 H 4.2790 8.3485 118.0486 58.4269 28.6792 177.6889 109 L 3.9699 8.0655 122.4286 58.2448 41.7666 178.9258 110 R 3.8665 7.8760 117.2439 59.3921 30.0420 177.0870 111 Y 4.1947 7.7345 113.2443 57.0708 38.2164 175.3650 112 G 3.6795 7.9384 107.8568 46.5706 0.0000 174.4272 113 V 3.6380 7.9709 120.3200 61.3717 31.7847 175.4955 114 A 4.6334 8.6123 130.4793 50.7271 20.8724 177.0564 115 D 4.7713 9.0541 118.6518 58.1759 40.6017 179.9179 116 G 3.6489 8.1058 105.2542 48.1060 0.0000 175.3294 117 H 4.2537 8.0123 118.4529 58.7433 28.7417 177.8420 118 F 4.5402 8.1886 119.1378 60.8330 38.7891 177.4370 119 E 4.2414 8.5848 118.2982 59.2506 29.2973 179.4942 120 V 3.6942 8.2243 118.6888 66.3448 31.5910 178.3138 121 T 4.0722 8.3247 115.7577 66.4828 68.3859 177.0311 122 G 2.9536 8.4401 107.8501 47.3864 0.0000 175.5730 123 F 4.0528 8.3071 122.8035 61.0629 39.3506 177.1712 124 A 4.0082 8.3621 120.4785 54.7804 18.1574 179.4124 125 L 2.8373 7.8210 119.0044 58.0274 42.0960 179.2695 126 L 3.9630 7.3322 118.3786 57.6735 41.4814 179.4555 127 E 3.5934 7.7601 118.5596 59.4001 29.2122 179.5147 128 T 3.6966 7.8328 116.0162 66.5705 68.0138 176.6774 129 I 3.4706 7.6976 122.0166 64.3163 36.8806 178.3505 130 K 2.6487 6.8294 118.7482 58.9589 31.7908 178.1655 131 E 3.9525 7.5936 116.9472 57.8632 29.6201 177.8780 132 A 4.2492 7.3684 118.8448 51.6252 19.6840 176.8353 133 L 4.6409 6.6467 116.5391 51.9876 43.8053 174.9554 134 P 4.3468 0.0000 0.0000 62.2712 32.1311 177.3865 135 A 4.1503 8.8084 124.8914 55.3701 18.5049 179.6700 136 D 4.4336 8.2311 114.6195 56.1939 39.4780 176.9863 137 M 4.3796 7.9823 114.6752 54.6859 31.9156 175.8073 138 W 4.6901 7.7058 130.2233 57.1177 31.9365 175.6397 139 S 4.2864 6.8050 117.1843 56.3763 65.7358 176.8208 140 L 3.7078 7.9416 123.7986 58.4179 41.5928 179.1193 141 E 3.8230 7.8327 117.8310 59.4246 29.5259 178.6692 142 M 3.9423 7.3932 118.2227 58.4605 32.3119 177.7448 143 K 3.7261 7.1315 119.5977 59.8412 32.1948 178.8100 144 K 4.2001 8.0255 118.0450 59.1091 31.8644 179.4264 145 A 4.0825 7.8534 120.8106 55.0575 18.3704 179.7931 146 W 4.0442 8.4639 117.3288 59.8346 29.1265 178.5412 147 A 4.1696 8.7537 121.1860 55.3581 17.7083 179.6623 148 E 3.9163 8.8069 117.0844 59.4138 29.5741 179.2132 149 A 3.5907 7.9208 120.7824 55.2753 18.4413 179.0711 150 Y 3.8755 8.0598 117.8319 60.8694 38.9377 177.9738 151 S 4.0175 8.3426 114.0824 61.6977 62.5894 176.2700 152 Q 3.8939 8.1930 120.7334 58.5984 28.3530 178.4008 153 L 3.7677 7.8610 121.6493 58.1140 42.0690 179.2961 154 V 3.0375 7.3986 117.9066 65.4878 31.1695 177.8690 155 A 3.8240 7.7273 120.4922 54.9757 17.9587 179.4890 156 A 3.8827 7.5082 118.0937 55.1073 18.6244 179.7382 157 I 3.7290 7.4359 118.3541 64.5734 37.2252 178.6545 158 K 3.8352 8.1170 119.6358 59.7370 31.5892 179.5090 159 R 3.9974 7.6306 117.0661 58.3930 29.9359 177.7885 160 E 4.5216 7.9133 116.5089 56.3060 29.8138 176.2936 161 M 4.5603 7.9462 118.0931 54.8935 33.1105 175.4038 162 K 4.7366 7.4791 116.5827 53.8303 36.0969 174.0985 163 P 4.4289 0.0000 0.0000 63.0675 31.6293 175.7371 164 D 4.5778 8.4148 119.0880 54.8429 41.0553 176.7035 *165 A 4.1085 7.9190 127.9340 52.5284 18.8740 177.4376 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 11 V 8.05 4.00 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 1.06 0.00 0.00 0.99 0.00 0.00 12 V 8.35 3.73 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 0.80 0.00 0.00 0.94 0.00 0.00 13 F 8.66 4.68 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.58 3.73 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 0.00 0.00 0.00 15 E 8.45 3.99 0.00 1.94 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 2.37 2.32 0.00 16 E 7.92 3.94 0.00 1.84 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 2.31 2.27 0.00 17 Q 7.49 3.67 0.00 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 18 E 7.56 3.99 0.00 2.15 2.04 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 2.32 2.39 0.00 19 A 7.87 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.83 3.92 0.00 1.81 1.74 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.51 3.16 1.93 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 0.05 0.00 0.00 0.25 0.00 0.00 22 L 8.11 4.11 0.00 1.83 1.77 0.95 1.26 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 23 K 8.26 3.99 0.00 2.02 2.26 0.00 1.35 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.53 7.81 24 S 8.19 4.32 0.00 4.45 4.48 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 25 W 8.71 4.76 0.00 3.90 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 3.74 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 27 V 7.62 3.61 2.28 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 1.01 0.00 0.00 0.94 0.00 0.00 28 M 7.96 4.00 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.52 0.00 29 K 7.15 3.09 0.00 0.79 0.91 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.06 7.81 30 K 7.22 4.09 0.00 1.80 1.76 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.29 7.81 31 D 8.12 4.78 0.00 2.61 2.44 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 32 A 8.10 3.96 1.41 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 0.00 0.00 0.00 33 A 7.88 3.96 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 34 N 8.10 4.33 0.00 3.07 2.87 0.00 0.00 6.68 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.04 3.99 0.00 1.93 1.63 0.15 0.77 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 36 G 8.37 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 37 L 8.00 4.09 0.00 1.86 1.92 0.96 0.90 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 38 R 8.10 3.96 0.00 2.09 1.99 0.00 3.16 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 39 F 8.15 4.51 0.00 3.30 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 40 F 8.15 3.43 0.00 2.98 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.25 4.12 0.00 1.88 1.77 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.22 3.98 0.00 2.00 2.06 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.56 7.81 43 V 7.67 3.56 1.59 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 0.86 0.00 0.00 0.56 0.00 0.00 44 F 8.04 4.87 0.00 3.15 2.89 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 45 E 8.18 4.04 0.00 2.06 2.32 0.00 0.00 0.00 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 2.40 0.00 46 I 7.59 4.24 2.07 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.90 0.00 0.00 47 A 8.30 4.64 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 48 P 0.00 4.48 0.00 2.18 2.14 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 49 S 8.22 4.22 0.00 4.08 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 50 A 8.15 4.09 1.63 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 0.00 0.00 51 K 7.98 3.11 0.00 1.12 1.51 0.00 1.22 0.00 0.00 1.36 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.96 0.21 7.81 52 Q 7.38 4.13 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 53 M 7.81 4.20 0.00 1.72 2.27 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 54 F 8.28 4.22 0.00 2.96 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.89 3.59 0.00 4.12 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 *65 E 8.03 4.30 0.00 1.97 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 0.00 2.22 2.41 0.00 66 K 7.82 3.51 0.00 1.68 1.78 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 67 N 8.99 4.33 0.00 2.83 2.93 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 68 P 0.00 4.54 0.00 2.21 2.07 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 69 K 7.99 3.97 0.00 1.83 1.94 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.57 7.81 70 L 7.72 3.72 0.00 1.49 0.64 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.84 4.11 0.00 2.01 1.93 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.59 7.81 72 T 7.73 3.95 4.48 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 1.29 0.00 0.00 73 H 8.46 4.17 0.00 3.46 3.88 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.76 4.06 1.70 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 75 M 8.62 4.33 0.00 2.21 2.49 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.96 0.00 76 S 8.13 4.21 0.00 4.01 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 77 V 7.78 3.61 2.38 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 1.10 0.00 0.00 0.95 0.00 0.00 78 F 8.07 3.75 0.00 3.11 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 0.00 0.00 0.00 79 V 8.31 3.47 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 1.12 0.00 0.00 1.27 0.00 0.00 80 M 8.36 4.09 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 81 T 8.04 3.86 4.55 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 1.46 0.00 0.00 82 C 8.08 3.82 0.00 2.71 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 83 E 8.29 3.97 0.00 2.22 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 2.35 2.47 0.00 84 A 8.29 4.03 1.22 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 0.00 0.00 85 A 7.73 3.33 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 86 A 7.45 4.34 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 87 Q 8.05 3.95 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 88 L 8.15 4.09 0.00 1.40 1.50 0.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.72 4.41 0.00 2.23 2.47 0.00 3.12 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.72 0.00 90 K 8.08 4.19 0.00 1.95 1.98 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.44 7.81 91 A 8.42 4.22 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 92 G 9.09 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 93 K 6.98 4.15 0.00 1.76 1.70 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.28 7.81 94 V 8.35 3.75 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 0.80 0.00 0.00 0.78 0.00 0.00 95 T 8.47 4.60 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 1.21 0.00 0.00 96 V 7.68 3.69 2.04 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 0.80 0.00 0.00 0.89 0.00 0.00 97 R 8.54 4.00 0.00 1.89 1.86 0.00 3.19 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 98 E 8.78 4.02 0.00 2.00 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 2.36 0.00 99 T 7.86 3.88 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 100 T 7.72 3.94 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 1.23 0.00 0.00 101 L 7.98 4.04 0.00 1.83 1.69 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.34 4.02 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.70 7.81 103 R 8.18 3.92 0.00 1.97 2.14 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 104 L 8.54 4.19 0.00 1.94 1.79 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.68 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 0.00 106 A 8.25 4.07 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 T 8.19 3.94 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 108 H 8.35 4.28 0.00 3.41 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.07 3.97 0.00 2.02 1.84 1.02 0.92 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 0.00 110 R 7.88 3.87 0.00 1.95 2.21 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.51 0.00 111 Y 7.73 4.19 0.00 2.86 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 0.00 112 G 7.94 3.68 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 0.00 0.00 0.00 113 V 7.97 3.64 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 -0.05 0.00 0.00 0.85 0.00 0.00 114 A 8.61 4.63 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 0.00 115 D 9.05 4.77 0.00 2.80 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 0.00 116 G 8.11 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 0.00 117 H 8.01 4.25 0.00 3.26 3.28 0.00 5.82 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 0.00 118 F 8.19 4.54 0.00 3.37 3.02 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 0.00 0.00 0.00 0.00 119 E 8.58 4.24 0.00 2.25 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 2.45 2.69 0.00 120 V 8.22 3.69 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 1.10 0.00 0.00 1.00 0.00 0.00 121 T 8.32 4.07 4.61 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 1.26 0.00 0.00 122 G 8.44 2.95 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 0.00 123 F 8.31 4.05 0.00 3.29 3.29 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 0.00 124 A 8.36 4.01 1.57 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 0.00 125 L 7.82 2.84 0.00 1.07 1.29 -0.89 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.33 3.96 0.00 1.66 1.71 0.98 0.86 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 0.00 127 E 7.76 3.59 0.00 1.86 1.77 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 1.86 1.50 0.00 128 T 7.83 3.70 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 1.18 0.00 0.00 129 I 7.70 3.47 1.59 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.75 0.86 0.00 0.00 130 K 6.83 2.65 0.00 0.79 1.18 0.00 1.49 0.00 0.00 1.30 0.00 0.00 2.53 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.78 0.21 7.81 131 E 7.59 3.95 0.00 1.83 1.86 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 2.18 2.22 0.00 132 A 7.37 4.25 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 0.00 133 L 6.65 4.64 0.00 1.77 1.66 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.35 0.00 2.35 1.98 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 135 A 8.81 4.15 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 0.00 136 D 8.23 4.43 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.98 4.38 0.00 2.22 2.29 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 2.67 2.68 0.00 138 W 7.71 4.69 0.00 3.28 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 0.00 139 S 6.80 4.29 0.00 3.88 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 0.00 140 L 7.94 3.71 0.00 1.68 1.63 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.83 3.82 0.00 1.91 1.88 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 2.30 2.23 0.00 142 M 7.39 3.94 0.00 1.73 1.97 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.85 0.00 143 K 7.13 3.73 0.00 1.03 1.68 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.70 7.81 144 K 8.03 4.20 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.56 7.81 145 A 7.85 4.08 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 0.00 146 W 8.46 4.04 0.00 3.43 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 0.00 147 A 8.75 4.17 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.81 3.92 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 149 A 7.92 3.59 1.22 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 0.00 0.00 150 Y 8.06 3.88 0.00 3.09 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 0.00 151 S 8.34 4.02 0.00 4.02 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 0.00 152 Q 8.19 3.89 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 153 L 7.86 3.77 0.00 1.65 1.60 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.40 3.04 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.11 0.00 0.00 155 A 7.73 3.82 1.27 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 0.00 156 A 7.51 3.88 1.22 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 0.00 0.00 157 I 7.44 3.73 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.91 0.00 0.00 158 K 8.12 3.84 0.00 1.81 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.24 7.81 159 R 7.63 4.00 0.00 1.85 1.97 0.00 3.10 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 160 E 7.91 4.52 0.00 2.10 1.97 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 2.43 2.54 0.00 161 M 7.95 4.56 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.74 0.00 162 K 7.48 4.74 0.00 1.80 1.75 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.43 7.81 163 P 0.00 4.43 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 164 D 8.41 4.58 0.00 2.66 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 *165 A 7.92 4.11 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 * Residues marked with a * may have inaccurate shift predictions.