NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4529 8.3101 122.0642 56.1844 33.3995 175.1883 4 A 4.2304 8.4456 129.3677 51.4413 19.9636 174.5211 5 K 5.1460 9.5588 121.0548 54.6752 36.0757 173.5560 6 I 5.0557 9.0722 125.1642 59.4663 40.4509 175.0310 7 G 4.2697 9.2808 115.4516 45.8463 0.0000 172.5790 8 I 5.1525 9.1643 124.2571 59.3892 41.1469 174.5239 9 V 4.7478 8.8864 127.6327 61.4334 34.1367 174.3173 10 T 4.8107 8.7343 126.0147 62.3798 70.0568 174.0683 11 V 4.6411 8.5373 128.0535 61.6631 33.5830 174.7610 12 S 4.5331 9.1944 119.6852 56.8184 65.8824 175.5384 13 D 4.3956 9.5107 129.0877 57.7357 40.6823 179.0455 14 R 3.9329 8.0425 117.4003 59.5874 29.9623 178.9711 15 A 4.1031 8.2197 119.1665 55.0209 18.4035 179.5632 16 S 4.1841 7.9894 113.2310 61.4216 62.9132 176.4581 17 A 4.4747 7.7114 122.9983 52.6606 18.5870 178.3718 18 G 3.8334 7.3996 105.8955 45.1991 0.0000 172.5480 19 I 4.6493 8.0858 125.6083 58.4319 41.2104 174.7880 20 Y 4.2070 8.8677 128.1414 60.2290 38.9397 175.8169 21 E 4.5683 7.8366 114.0754 54.0594 32.6302 175.1711 22 D 4.7142 8.3659 120.7796 53.0204 40.4422 176.7988 23 I 3.8414 7.9632 120.2161 63.2479 37.8891 178.3470 24 S 4.1858 8.1862 117.0717 61.4596 62.9300 176.1497 25 G 4.2343 8.7733 110.0114 47.2127 0.0000 175.2672 26 K 3.8055 8.1806 121.9008 59.1136 32.1606 178.6147 27 A 3.9506 8.1055 120.9273 55.1207 18.2169 179.6311 28 I 3.5676 7.6793 118.1902 64.6061 37.1849 178.7594 29 I 3.8395 7.7254 120.4388 64.5458 36.9379 178.1932 30 D 4.3346 8.3684 120.0732 57.6626 40.6367 179.1309 31 T 3.4688 7.8375 116.0334 66.5705 68.4520 176.8341 32 L 3.4458 7.6868 120.8216 57.5625 41.2286 179.4097 33 N 4.6900 8.2635 115.9561 56.3972 38.5512 176.7978 34 D 4.5298 7.9033 119.4142 57.6469 41.1669 178.2633 35 Y 4.3610 7.8602 117.1278 59.6918 37.9940 175.9360 36 L 5.0950 7.5228 118.8808 53.6399 43.1437 176.3197 37 T 4.7214 8.7036 112.8876 62.2806 70.7575 175.2014 38 S 4.5402 8.1893 115.8796 57.9186 64.4199 174.0143 39 E 4.4813 8.8301 121.2207 56.4314 30.3196 175.9448 40 W 5.7290 8.5314 119.6422 55.2605 31.8138 173.6216 41 E 4.5111 9.2349 121.0865 53.7515 31.5604 173.6809 42 P 5.0899 0.0000 0.0000 62.7486 32.7180 175.6880 43 I 4.4948 9.1146 124.9936 59.8461 39.2571 173.8087 44 Y 5.4509 8.6859 128.2370 55.8831 41.3573 174.7088 45 Q 4.2331 8.6351 124.3208 54.0552 33.4879 173.8509 46 V 4.6874 8.0501 123.3900 61.0957 33.3144 174.6429 47 I 4.8504 8.7556 121.0588 58.1878 41.4269 173.0241 48 P 4.8157 0.0000 0.0000 62.3316 32.4243 176.8336 49 D 4.7522 8.7805 121.5396 53.3926 38.4816 175.4306 50 E 4.5611 7.7721 118.3148 53.7089 32.9205 176.7079 51 Q 3.9530 8.9432 125.2589 59.4156 29.0856 177.8370 52 D 4.3584 8.1465 119.2492 57.7170 40.8902 179.1236 53 V 3.6370 7.7058 117.9122 65.8072 31.6240 177.9436 54 I 3.6885 7.9077 119.7214 64.2907 36.8623 178.0611 55 E 3.9502 8.3682 119.5431 59.8707 29.2978 179.4372 56 T 3.8532 7.8525 115.4932 67.1025 68.3023 176.7582 57 T 3.8564 7.6578 116.0981 66.5768 68.5687 176.5026 58 L 4.1376 7.7334 119.5262 57.8201 41.9228 179.2918 59 I 3.9100 7.9701 119.8876 64.3013 37.0455 179.0679 60 K 3.9939 8.1769 115.4137 57.4363 31.5073 178.4768 *62 A 4.2649 7.8108 123.0639 52.3827 20.2591 178.6078 63 D 4.5626 8.7208 114.1307 56.3856 41.4072 177.6053 64 E 4.3717 8.2652 117.0062 57.3992 29.3182 176.8376 65 Q 4.3925 7.8961 114.8046 54.8987 29.5254 175.2513 66 D 4.3415 8.1890 115.8100 55.1698 39.5273 173.0114 67 C 4.5675 7.4575 113.4291 59.3383 28.5139 173.8906 68 C 4.3948 8.9384 120.9554 60.4151 30.7459 173.4773 69 L 5.2544 7.8382 120.5667 53.1871 45.5481 175.1361 70 I 5.1345 9.1807 126.0627 59.6336 41.0276 174.7060 71 V 5.0444 9.0167 120.0997 59.7033 35.2872 174.8447 72 T 5.1749 8.6902 114.1838 60.2512 71.9238 172.8879 73 T 4.9407 8.9911 116.9809 61.6284 70.8248 173.8042 74 G 3.9657 7.8577 111.9473 47.3898 0.0000 172.8836 75 G 3.7856 8.7850 106.2320 47.2885 0.0000 174.7559 76 T 4.4732 7.8262 105.4839 60.7107 70.1579 174.2040 77 G 3.8891 8.2360 112.2812 44.1876 0.0000 171.8320 78 P 4.4038 0.0000 0.0000 63.5198 32.1650 176.4445 79 A 4.1202 7.7792 122.8756 52.0027 18.9264 178.0750 80 K 3.8732 8.7181 121.7687 59.6008 32.2361 178.1520 81 R 4.1343 7.7923 114.5999 57.0036 30.4355 176.3506 82 D 4.6060 7.7543 118.6207 53.9703 39.8632 175.8883 83 V 4.9604 7.8895 115.0737 59.8671 33.3643 178.2456 84 T 3.8722 8.2563 119.8556 66.3488 68.2096 174.7457 85 P 4.3849 0.0000 0.0000 65.5809 31.2406 178.3565 86 E 3.9409 8.2266 116.6573 59.4779 29.5131 179.1665 87 A 4.0069 7.8932 120.2658 55.4016 18.5216 179.8619 88 T 3.7943 8.0469 114.2046 66.9215 68.3481 176.8153 89 E 3.9741 8.4910 119.2739 59.3023 29.5011 179.0195 90 A 4.1232 7.9869 120.1225 55.1003 18.5748 179.5979 91 V 3.8275 7.5626 108.8139 62.2360 32.3134 176.5602 92 C 4.5507 7.3792 116.4951 58.9436 28.8682 173.4208 93 D 4.5998 8.5682 122.6982 54.4105 39.9611 176.0061 94 R 4.4409 7.3708 115.3982 54.8040 32.1483 173.4198 *97 P 4.4034 0.0000 0.0000 62.5864 33.2818 178.9576 98 G 3.6695 8.1714 105.6453 48.4768 0.0000 175.4337 99 F 3.9582 8.4003 118.8924 60.5250 39.1745 177.3332 100 G 3.8803 8.2442 103.4486 47.8463 0.0000 174.9444 101 E 4.1906 8.0392 120.4859 59.0613 29.5310 181.0633 102 L 4.0241 7.7137 119.2547 55.3464 42.1344 178.8679 *104 R 4.2481 8.0618 117.7089 55.7485 32.1565 177.9136 105 A 3.9857 8.0181 118.5776 55.0977 18.5702 179.0177 106 E 4.0405 8.6112 118.2972 59.4932 29.7247 178.9614 107 S 4.1914 8.0840 112.7711 61.3284 62.3199 175.6607 108 L 4.1929 7.9686 121.9798 57.7953 41.7759 178.5374 109 K 3.8660 7.6910 117.6249 58.5951 31.9492 177.1457 110 F 4.5347 8.1005 114.8116 58.3450 40.8145 175.9142 111 V 4.3598 7.8574 121.3787 59.2276 32.2299 175.0921 112 P 4.3433 0.0000 0.0000 64.7888 31.5730 176.9579 113 T 4.4490 7.8145 107.9311 61.3076 69.3252 176.2901 114 A 3.9860 7.8178 128.8955 55.8931 18.3560 180.5384 115 I 3.9537 7.6594 107.2358 62.8948 37.7520 176.8170 116 L 4.1854 7.8456 120.6923 56.0893 41.8640 176.9661 117 S 4.3662 7.7850 114.3375 58.0822 62.7873 173.7200 118 R 4.5872 8.6824 126.0105 55.8844 30.2138 176.3283 119 Q 4.0509 7.6421 117.0780 57.1628 29.3110 176.1296 120 T 4.7995 8.9232 115.2895 61.7085 71.3319 171.6628 121 A 4.8942 8.4968 120.1092 51.4811 22.1124 175.9773 122 G 4.0636 8.7443 107.0172 45.6881 0.0000 171.4465 123 L 5.1707 9.2003 119.7772 52.7685 44.6894 176.5486 124 R 4.7788 8.7843 124.3727 55.1097 31.2358 177.2393 125 G 3.8382 9.0875 119.4261 46.9783 0.0000 172.9835 126 D 4.6442 8.9740 123.4525 52.8896 39.9838 175.6505 127 S 4.7338 7.9508 118.1552 57.5981 64.6023 172.9447 128 L 4.7141 8.5294 127.7290 54.3406 43.5259 175.2397 129 I 5.0245 8.6702 126.9714 59.4731 40.5174 174.6409 130 V 4.6329 8.6362 126.2934 61.0683 34.7956 173.8053 131 N 5.4144 9.0336 125.9045 51.9273 39.0732 174.8843 132 L 4.8907 9.0900 124.2440 52.3512 45.0999 175.0773 133 P 4.7266 0.0000 0.0000 62.6121 33.1620 175.2736 134 G 3.9201 8.5530 105.0506 47.6499 0.0000 175.4217 135 K 4.1499 7.7474 120.1575 55.0110 33.8168 175.8927 136 P 4.1930 0.0000 0.0000 65.7505 31.4804 178.7381 137 K 3.8524 7.9687 117.5573 59.8099 32.0616 178.8564 138 S 4.3972 7.8530 116.1338 60.8858 62.7052 176.4504 139 I 3.6948 8.3757 123.0027 64.4375 36.8338 178.3165 140 R 3.8378 8.0045 119.3381 59.5887 29.7970 178.4584 141 E 4.0368 8.1350 118.0399 59.2818 29.4355 178.6657 142 C 4.2031 8.4618 119.1612 62.7289 31.6358 175.7052 143 L 4.2083 8.2773 120.5988 58.0506 41.0050 179.1916 144 D 4.5195 8.5278 118.1110 57.3734 40.7913 178.5845 145 A 4.1654 7.7288 119.9291 54.8633 18.9013 179.3562 146 V 3.9428 7.8468 109.9021 62.8650 32.2956 178.3134 147 F 4.0840 8.7193 121.1938 60.7084 39.0849 175.1743 148 P 4.2906 0.0000 0.0000 64.8861 31.5215 177.2578 149 A 4.4161 7.8787 118.8776 52.8572 18.9852 179.3193 150 I 3.6383 7.6018 119.5257 63.7182 37.1755 176.3996 151 P 4.0181 0.0000 0.0000 65.7238 31.1454 177.9386 152 Y 4.2901 7.8912 117.7475 60.7578 38.4863 177.4341 153 C 3.9018 7.6752 118.2561 62.5531 31.8800 175.3896 154 I 3.7670 7.7749 121.2703 64.3241 36.4394 177.7965 155 D 4.4409 7.9258 118.9557 57.3850 41.0570 181.3334 156 L 4.1070 7.2924 119.0580 54.0225 41.4506 177.3017 *158 E 4.1347 8.1971 114.1644 56.2187 31.0905 176.6123 159 G 4.0441 8.0398 109.9977 43.3117 0.0000 172.5185 160 P 4.3082 0.0000 0.0000 62.8602 31.6486 175.7588 161 Y 4.2417 8.4026 121.7308 56.5644 38.0445 174.5884 162 L 4.4292 7.9996 127.7357 54.3602 42.8528 176.3294 163 E 4.8422 9.5075 123.1620 54.8003 32.3303 174.8663 164 C 5.3100 8.5557 120.6155 57.6757 31.7935 173.9412 165 N 4.4830 9.1845 120.9403 53.7073 37.2563 175.4112 166 E 5.0650 8.8367 123.1449 56.8076 29.8347 178.3385 167 A 4.1561 8.1875 122.5195 54.0704 18.7472 178.5365 168 V 4.2866 7.7973 113.4128 63.8074 33.9421 175.5236 169 I 4.4769 8.0013 118.3890 59.0217 40.8812 173.6670 170 K 4.8027 8.2963 126.2653 53.9581 32.7197 173.6502 171 P 4.5889 0.0000 0.0000 62.9873 32.3459 175.3205 172 F 4.6343 8.9237 125.1286 56.8272 40.7517 175.2076 173 R 3.8233 7.3560 124.0913 53.1769 32.8166 173.7021 174 P 3.9915 0.0000 0.0000 62.6135 31.2656 176.6339 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 K 8.31 4.45 0.00 1.83 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.53 7.81 4 A 8.45 4.23 1.39 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 0.00 0.00 0.00 5 K 9.56 5.15 0.00 1.76 1.77 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.49 7.81 6 I 9.07 5.06 2.19 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.97 0.99 0.00 0.00 7 G 9.28 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 8 I 9.16 5.15 2.17 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.13 1.09 0.00 0.00 9 V 8.89 4.75 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 0.96 0.00 0.00 0.94 0.00 0.00 10 T 8.73 4.81 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 1.31 0.00 0.00 11 V 8.54 4.64 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 0.98 0.00 0.00 0.93 0.00 0.00 12 S 9.19 4.53 0.00 3.84 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 13 D 9.51 4.40 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.04 3.93 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 15 A 8.22 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.99 4.18 0.00 4.05 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 17 A 7.71 4.47 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 18 G 7.40 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 0.00 0.00 0.00 19 I 8.09 4.65 1.90 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 1.06 0.98 0.00 0.00 20 Y 8.87 4.21 0.00 3.01 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 21 E 7.84 4.57 0.00 2.05 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 2.49 2.40 0.00 22 D 8.37 4.71 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.96 3.84 1.88 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 1.67 0.67 0.95 0.00 0.00 24 S 8.19 4.19 0.00 4.07 3.97 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 25 G 8.77 4.23 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 0.00 26 K 8.18 3.81 0.00 1.89 1.99 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.56 7.81 27 A 8.11 3.95 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 28 I 7.68 3.57 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.93 0.00 0.00 29 I 7.73 3.84 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.90 0.00 0.00 30 D 8.37 4.33 0.00 2.80 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 31 T 7.84 3.47 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 0.25 0.00 0.00 32 L 7.69 3.45 0.00 1.41 0.68 0.73 0.25 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 33 N 8.26 4.69 0.00 2.98 2.97 0.00 0.00 7.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.90 4.53 0.00 2.67 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 35 Y 7.86 4.36 0.00 2.71 2.55 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 36 L 7.52 5.09 0.00 1.68 1.62 -0.15 0.81 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 37 T 8.70 4.72 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 1.29 0.00 0.00 38 S 8.19 4.54 0.00 4.03 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 39 E 8.83 4.48 0.00 2.03 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 2.44 2.37 0.00 40 W 8.53 5.73 0.00 3.47 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 41 E 9.23 4.51 0.00 2.08 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 2.12 2.18 0.00 42 P 0.00 5.09 0.00 2.09 2.11 0.00 3.38 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 43 I 9.11 4.49 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 1.00 0.00 0.00 44 Y 8.69 5.45 0.00 2.87 2.83 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 45 Q 8.64 4.23 0.00 1.84 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 46 V 8.05 4.69 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 0.79 0.00 0.00 0.69 0.00 0.00 47 I 8.76 4.85 1.84 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 1.35 0.86 0.85 0.00 0.00 48 P 0.00 4.82 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 49 D 8.78 4.75 0.00 2.83 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 50 E 7.77 4.56 0.00 1.96 1.81 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 2.27 2.24 0.00 51 Q 8.94 3.95 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 52 D 8.15 4.36 0.00 2.72 2.71 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.59 1.65 7.81 *62 A 7.81 4.26 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 63 D 8.72 4.56 0.00 2.75 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 64 E 8.27 4.37 0.00 2.10 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 2.27 2.26 0.00 65 Q 7.90 4.39 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.29 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 66 D 8.19 4.34 0.00 2.80 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 67 C 7.46 4.57 0.00 3.00 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 68 C 8.94 4.39 0.00 3.01 3.20 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 69 L 7.84 5.25 0.00 1.72 1.50 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 I 9.18 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5.41 0.00 2.70 2.76 0.00 0.00 6.86 7.45 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 0.00 132 L 9.09 4.89 0.00 1.67 1.61 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.73 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 134 G 8.55 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 0.00 135 K 7.75 4.15 0.00 1.80 1.72 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.53 7.81 136 P 0.00 4.19 0.00 2.13 2.09 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 137 K 7.97 3.85 0.00 1.74 1.72 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 138 S 7.85 4.40 0.00 3.99 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 0.00 139 I 8.38 3.69 2.02 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 1.45 0.77 0.89 0.00 0.00 140 R 8.00 3.84 0.00 1.88 2.05 0.00 3.11 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 141 E 8.14 4.04 0.00 2.24 2.19 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 2.37 2.30 0.00 142 C 8.46 4.20 0.00 3.11 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 0.00 143 L 8.28 4.21 0.00 1.88 1.97 0.83 1.58 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 0.00 144 D 8.53 4.52 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 0.00 145 A 7.73 4.17 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 0.00 146 V 7.85 3.94 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 0.75 0.00 0.00 1.23 0.00 0.00 147 F 8.72 4.08 0.00 3.34 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 0.00 148 P 0.00 4.29 0.00 2.19 2.24 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 149 A 7.88 4.42 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 0.00 150 I 7.60 3.64 1.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.79 0.59 0.00 0.00 151 P 0.00 4.02 0.00 1.97 1.87 0.00 3.30 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 152 Y 7.89 4.29 0.00 3.15 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 0.00 153 C 7.68 3.90 0.00 3.16 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 0.00 154 I 7.77 3.77 1.91 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 1.46 0.57 0.91 0.00 0.00 155 D 7.93 4.44 0.00 2.68 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 0.00 156 L 7.29 4.11 0.00 1.54 1.52 0.61 0.59 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 *158 E 8.20 4.13 0.00 1.97 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 0.00 2.21 2.30 0.00 159 G 8.04 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 0.00 0.00 0.00 160 P 0.00 4.31 0.00 2.26 2.14 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 161 Y 8.40 4.24 0.00 2.96 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 0.00 162 L 8.00 4.43 0.00 1.47 1.60 0.93 0.97 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 0.00 163 E 9.51 4.84 0.00 1.95 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 2.51 2.50 0.00 164 C 8.56 5.31 0.00 2.85 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 0.00 165 N 9.18 4.48 0.00 2.82 2.92 0.00 0.00 7.36 7.20 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 0.00 166 E 8.84 5.06 0.00 2.02 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 2.47 2.45 0.00 167 A 8.19 4.16 1.39 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 0.00 0.00 0.00 168 V 7.80 4.29 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 0.99 0.00 0.00 0.97 0.00 0.00 169 I 8.00 4.48 1.43 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.03 0.56 0.00 0.00 170 K 8.30 4.80 0.00 1.87 1.80 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.40 7.81 171 P 0.00 4.59 0.00 2.01 2.02 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 172 F 8.92 4.63 0.00 2.96 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 0.00 173 R 7.36 3.82 0.00 1.43 1.60 0.00 3.19 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 174 P 0.00 3.99 0.00 1.78 1.89 0.00 2.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.