NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1369 8.0249 121.4519 60.7188 38.5317 174.8979 3 P 4.3559 0.0000 0.0000 61.6560 33.3080 171.6982 4 V 4.8404 8.3593 120.9033 61.1642 35.1740 174.3041 5 V 4.4234 8.9074 127.6091 61.2370 33.7848 174.0222 6 I 4.9607 8.4530 128.5089 59.9808 38.6988 174.8389 7 E 4.8397 8.7899 125.5558 54.7957 32.2184 175.2965 8 Q 4.8618 8.6385 120.4677 54.6545 32.0522 175.4230 9 T 4.2377 8.2944 114.4878 65.0070 71.0963 174.1107 *13 E 4.2997 7.8404 121.5185 56.0903 29.7051 174.7950 14 R 4.7100 8.6463 122.8305 53.9189 35.3767 174.2889 15 S 4.7164 8.3074 114.7389 56.9315 64.2744 172.9660 16 Y 4.6443 8.7670 125.0435 57.1546 39.7002 175.4755 17 D 5.1001 8.6137 121.2495 52.4712 41.2692 177.3656 18 I 3.6143 8.0776 118.8693 64.3528 37.8780 177.4814 19 Y 4.2820 7.5212 117.1681 61.2375 37.5971 178.5963 20 S 4.3240 8.1860 115.4987 61.4367 62.9108 176.6657 21 R 3.2660 8.0964 121.6359 59.0352 29.7434 178.5290 22 L 3.9729 7.9032 118.9955 57.6877 41.6055 179.2420 23 L 4.3825 7.8375 121.1401 57.3023 41.7458 178.9223 24 K 4.0550 7.7026 119.6017 59.3470 32.2444 176.8464 25 D 4.7339 7.5475 116.1513 54.2491 40.6964 176.6555 26 R 4.0413 8.1270 116.9272 57.1581 27.6652 175.2071 27 I 5.0503 7.7897 119.1938 60.6643 39.0110 175.0750 28 I 5.1341 8.8413 128.2504 59.9395 41.5119 174.3636 *30 L 4.3982 8.4363 126.4658 56.2860 42.9768 177.0387 31 T 5.2970 7.5744 118.9291 60.2385 70.5993 174.3745 32 G 3.8642 8.6710 114.4255 43.6831 0.0000 170.8575 33 P 4.4798 0.0000 0.0000 62.5938 32.1157 177.0800 34 V 3.8898 8.8194 124.7018 62.9792 32.1207 174.5606 35 E 5.0955 8.4362 124.9710 54.3262 32.9879 175.3340 36 D 4.4962 8.8628 118.6502 57.9120 40.9395 178.8761 37 N 4.4140 8.3582 113.4175 53.9739 38.2120 176.6166 *39 A 4.2965 7.9995 124.0614 52.3580 20.7565 179.7186 40 N 4.3843 8.3051 113.4537 56.4165 38.5311 177.4891 41 S 4.0968 7.8529 114.7008 61.5000 62.4134 176.5055 42 V 3.6664 7.6981 120.4089 65.9244 31.2960 177.9984 43 I 3.7798 7.8799 119.5540 64.1369 36.9317 178.2260 44 A 4.0407 8.4705 122.1487 55.2116 18.2102 179.6112 45 Q 4.1030 8.2800 116.5604 59.1388 28.9180 179.1505 46 L 3.9989 8.1542 119.8375 58.0175 41.6195 179.6147 47 L 4.0875 8.2161 118.9485 57.8175 41.5033 179.5143 48 F 4.3059 8.4514 120.7358 61.2340 39.3716 177.3729 49 L 3.6153 8.0051 118.7771 57.5502 41.1992 178.8927 50 D 4.2294 7.7743 116.7517 57.2109 41.2103 177.9041 51 A 4.0864 7.4773 120.4168 55.1442 18.4825 179.2191 52 Q 4.1633 7.5116 115.6775 57.9953 27.6173 176.2188 53 D 4.2669 7.6340 114.6488 53.7359 43.2277 176.1136 54 S 4.0437 8.6322 121.3899 59.5575 63.8266 175.7202 55 T 4.0687 7.7320 112.0192 64.3676 69.0695 175.7125 56 K 4.2866 7.0959 119.3794 55.8155 32.7900 177.1861 57 D 4.6654 8.4801 122.3270 54.2754 42.0805 175.5698 58 I 4.3647 8.1005 120.6834 59.6937 40.6116 174.6077 59 Y 4.7383 8.7264 123.9545 56.3839 40.2090 174.7812 60 L 5.0788 8.9064 128.9632 53.7459 43.4413 174.7087 61 Y 4.8958 9.1987 125.8065 57.1528 39.0899 175.4784 62 V 4.5538 9.1051 124.6520 61.2845 34.5449 173.9038 63 N 5.2223 9.2700 126.7688 52.2476 41.0643 172.1922 64 T 5.0220 8.0611 119.0555 59.6949 70.9227 172.2215 65 P 4.4423 0.0000 0.0000 63.6104 32.2257 175.8121 66 G 3.8042 7.6150 105.3737 45.3969 0.0000 172.2997 67 G 3.9656 8.1478 106.8828 45.1160 0.0000 172.5899 68 S 4.1713 8.3052 118.5746 58.2708 63.9160 175.5917 69 V 3.4465 8.6273 124.2862 66.3256 31.5564 177.7627 70 S 4.0106 8.1036 112.0561 61.8305 62.2745 176.1471 71 A 4.1141 8.0269 122.8754 55.0012 18.1184 179.7246 72 G 3.6132 8.0921 104.3399 48.0896 0.0000 175.9081 73 L 4.0444 8.1433 120.9741 57.1883 41.7079 179.3092 74 A 4.0032 7.9095 120.5367 55.1198 18.0371 179.8016 75 I 3.6892 7.3433 117.0678 64.4167 37.2702 178.4887 76 V 3.7554 7.6401 117.9647 66.2926 31.8128 177.6310 77 D 4.5970 8.4958 118.8618 57.2867 40.6764 178.5084 78 T 4.2386 7.6985 114.9582 64.1708 68.4567 176.0899 *80 N 4.7022 8.1700 120.1107 53.2624 40.6876 176.0346 81 F 4.4460 8.1042 119.8994 60.6955 39.7538 175.8260 82 I 3.5228 7.2715 112.8565 60.9290 37.7876 176.2594 83 K 3.8831 8.6901 121.2257 59.3805 32.1972 178.0340 84 A 4.1214 7.8109 120.4342 51.9563 18.8371 177.3793 85 D 4.2724 8.8464 122.3376 55.1776 42.3262 175.9122 86 V 4.5676 8.2859 122.7841 61.1878 33.2605 174.7594 87 Q 4.8072 8.9238 128.4530 55.9674 30.3704 175.4772 88 T 5.1409 8.5730 111.2764 60.0166 72.3225 172.8366 89 I 5.0467 8.5332 125.0463 59.6649 39.9885 175.4457 90 V 4.5508 8.1478 127.6382 61.8519 32.6629 175.9426 *92 G 3.9069 8.7086 109.3362 45.9347 0.0000 172.5825 *94 A 4.3474 7.6884 127.1839 51.1037 19.8974 174.4584 95 A 4.3486 8.4899 122.9763 51.7935 21.5758 176.6931 96 S 3.6714 7.9490 113.1141 59.4461 62.8698 174.9764 *98 G 3.7830 7.8790 106.6696 45.6285 0.0000 174.9174 99 T 3.5459 7.8977 111.7060 63.8854 68.3305 176.9212 100 V 3.5301 7.5596 120.5944 65.8971 31.2526 178.0141 101 I 3.7203 7.5118 117.3246 64.4808 37.5557 177.8816 102 A 4.1998 8.2455 122.1238 55.1026 18.0056 179.7685 103 S 4.5213 8.0939 111.8256 61.2074 63.3068 175.4677 104 S 4.7098 7.0046 115.3506 58.2953 62.5099 174.4389 105 G 3.9180 7.6672 107.7721 45.4894 0.0000 173.8931 106 A 4.1741 8.7079 123.3577 51.9546 19.2117 177.6183 107 K 4.0487 8.6414 122.5357 58.0360 32.3856 177.7392 108 G 4.0245 9.9314 111.9908 45.4190 0.0000 173.6227 109 K 4.1998 7.8164 119.4544 56.1508 33.4962 175.9425 110 R 4.6093 7.5931 118.5800 54.9559 32.3807 175.5233 111 F 5.4693 8.8529 125.6860 54.8273 42.8216 174.7162 *113 L 4.3507 8.2461 117.2997 54.7295 42.6755 176.5631 114 P 4.2322 0.0000 0.0000 65.6175 31.3729 177.2152 115 N 4.7545 7.9986 111.5379 52.8424 38.8325 174.7422 116 A 4.6143 7.7629 120.6627 52.0748 19.2273 177.1889 117 E 5.0055 8.7353 118.0747 54.9447 33.3772 174.5709 118 Y 5.4266 8.8523 121.6050 54.8834 42.7915 175.5219 *120 I 3.8039 8.3711 111.7965 59.8604 39.2967 175.2986 121 H 4.3317 7.6843 120.6610 56.2144 29.8422 173.5819 122 Q 4.4417 7.9458 124.6813 53.2440 29.6943 173.5999 123 P 4.3554 0.0000 0.0000 61.8144 32.4902 175.6205 *138 I 3.8895 7.8234 111.5044 60.3717 38.5064 175.1689 139 A 4.3117 8.0588 123.2364 51.2795 19.3975 177.1932 140 P 4.2963 0.0000 0.0000 65.3834 31.7557 178.8082 141 E 4.1604 8.1095 116.8672 58.6258 30.2634 178.4853 142 H 4.2883 8.3404 118.5176 59.2900 30.0581 176.6909 143 L 3.9662 7.4545 122.0887 57.0708 41.3835 179.6497 144 L 3.9199 7.7829 118.1736 57.6164 41.5684 179.2926 145 K 3.8748 7.7106 119.6588 59.8892 31.6541 178.7453 146 T 3.8216 7.9383 109.9092 64.9616 68.5084 176.2791 147 R 3.8937 7.9597 121.5015 58.9862 30.0646 178.2718 148 N 4.3053 8.3496 116.5353 56.6170 38.5553 177.3428 149 T 3.8833 8.0809 117.2195 66.7851 68.4474 176.6265 150 L 4.0279 8.0233 120.7528 57.7831 41.4452 179.3610 151 E 4.0155 8.2455 118.5245 59.0130 29.3584 179.2848 152 K 4.0312 8.1377 120.0608 59.2793 32.1834 179.0670 153 I 3.7910 7.8179 120.2465 64.1887 37.1658 178.2495 154 L 4.1388 8.2396 119.8159 57.9310 41.6049 179.5213 155 A 4.1079 8.4270 120.8309 55.2055 18.1058 179.4893 156 E 3.9357 7.9634 115.9098 59.7258 29.3722 178.9846 157 N 4.5310 8.6619 117.0417 56.0348 38.4950 177.0229 158 S 5.0225 7.7612 115.6075 57.6212 63.4398 175.8953 159 G 3.8636 7.9395 109.8915 45.4752 0.0000 173.0742 160 Q 4.5306 7.0964 117.1426 53.7548 31.7851 177.6091 161 S 4.6038 7.8337 120.4661 58.4853 62.6272 176.3094 *163 E 4.2565 8.8818 114.4157 56.2381 31.1635 177.3725 164 K 3.8212 7.9004 119.0158 59.8902 32.1592 178.6895 165 V 3.9726 7.7414 119.0015 65.8636 31.1947 177.5550 166 H 4.5877 8.3901 117.6726 58.5337 29.9990 176.5412 167 A 4.1151 8.0101 122.2134 54.3620 18.2043 178.7511 168 D 4.4273 7.8490 115.9954 55.9434 41.7122 177.9869 169 A 4.2992 8.1160 120.4559 53.1058 18.5179 177.5733 170 E 4.5374 7.2168 116.8610 55.2261 30.1351 175.3347 171 R 4.6711 7.1365 114.4689 54.2739 34.6827 175.4476 172 D 4.3753 8.2352 120.2504 52.9867 39.4839 176.7311 173 N 4.6182 7.4348 117.0959 52.0467 39.8580 174.6538 174 W 4.8978 8.6603 126.3596 55.1607 31.3570 175.6847 *176 S 4.3484 8.1984 113.1789 58.3860 64.6437 174.3538 177 A 3.9667 8.3063 122.7402 55.3369 18.1369 179.2877 178 Q 3.9158 8.1789 117.5707 59.7687 29.0585 178.6838 179 E 4.2455 8.1392 118.6686 59.6236 29.3028 179.4761 180 T 3.9715 7.9188 116.0755 66.1096 68.2194 176.7829 181 L 3.9027 7.9393 121.9542 57.8653 42.2198 178.0262 182 E 4.0300 7.8326 118.1559 59.8663 29.7365 178.1895 183 Y 3.8893 8.0541 119.2429 59.2625 38.8951 176.8673 184 G 4.1745 7.6186 105.5350 45.8995 0.0000 175.3530 185 F 4.6115 7.8215 118.4709 59.0409 39.3232 175.1679 186 I 4.6694 7.3719 111.8650 59.0127 40.4118 174.6893 187 D 4.5269 8.5884 120.7903 55.7074 41.6605 177.2934 188 E 4.6159 7.4583 118.8817 55.0351 32.6996 175.2574 189 I 4.2185 8.1167 127.6511 60.6944 38.9198 174.7204 *191 A 4.0620 8.1443 123.0139 52.8728 19.3667 175.6381 192 N 4.7846 8.5579 117.6636 51.9265 40.0394 173.7648 193 N 4.8928 8.3167 123.8052 51.8629 40.1876 175.1244 194 S 4.2993 8.4368 117.0912 59.0928 62.4083 175.8355 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 8.02 4.14 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.10 0.95 0.00 0.00 3 P 0.00 4.36 0.00 2.07 1.91 0.00 3.37 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 2.01 2.09 0.00 4 V 8.36 4.84 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 0.84 0.00 0.00 0.98 0.00 0.00 5 V 8.91 4.42 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 0.90 0.00 0.00 0.89 0.00 0.00 6 I 8.45 4.96 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 1.37 0.75 1.02 0.00 0.00 7 E 8.79 4.84 0.00 1.97 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 0.00 2.45 2.77 0.00 8 Q 8.64 4.86 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 9 T 8.29 4.24 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 *13 E 7.84 4.30 0.00 1.98 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 0.00 2.19 2.41 0.00 14 R 8.65 4.71 0.00 1.57 1.59 0.00 3.22 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 15 S 8.31 4.72 0.00 3.81 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 16 Y 8.77 4.64 0.00 2.97 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 17 D 8.61 5.10 0.00 2.93 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 18 I 8.08 3.61 1.68 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 1.33 0.98 0.28 0.00 0.00 19 Y 7.52 4.28 0.00 3.25 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 20 S 8.19 4.32 0.00 4.29 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 21 R 8.10 3.27 0.00 1.64 1.92 0.00 2.58 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 22 L 7.90 3.97 0.00 2.01 1.76 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.84 4.38 0.00 2.03 2.01 1.09 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.70 4.06 0.00 1.60 1.85 0.00 1.95 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 25 D 7.55 4.73 0.00 3.00 2.70 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 26 R 8.13 4.04 0.00 2.25 2.16 0.00 3.11 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 27 I 7.79 5.05 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 1.17 0.00 0.00 28 I 8.84 5.13 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 1.00 0.00 0.00 *30 L 8.44 4.40 0.00 1.83 1.82 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.57 5.30 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 1.10 0.00 0.00 32 G 8.67 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 33 P 0.00 4.48 0.00 1.94 2.00 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 34 V 8.82 3.89 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 1.05 0.00 0.00 0.91 0.00 0.00 35 E 8.44 5.10 0.00 1.92 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 2.15 2.53 0.00 36 D 8.86 4.50 0.00 2.72 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 37 N 8.36 4.41 0.00 3.00 2.81 0.00 0.00 6.88 7.10 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 *39 A 8.00 4.30 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 40 N 8.31 4.38 0.00 3.08 2.88 0.00 0.00 6.57 6.84 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 41 S 7.85 4.10 0.00 3.82 3.85 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 42 V 7.70 3.67 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 1.04 0.00 0.00 0.94 0.00 0.00 43 I 7.88 3.78 2.08 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 1.49 0.50 0.94 0.00 0.00 44 A 8.47 4.04 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 45 Q 8.28 4.10 0.00 2.42 2.27 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 2.48 2.46 0.00 46 L 8.15 4.00 0.00 1.93 1.76 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.22 4.09 0.00 1.78 1.82 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.45 4.31 0.00 3.17 3.34 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 49 L 8.01 3.62 0.00 1.72 1.62 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.77 4.23 0.00 2.73 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 A 7.48 4.09 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 52 Q 7.51 4.16 0.00 1.76 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.22 1.67 0.00 53 D 7.63 4.27 0.00 2.56 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.04 0.00 3.95 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.73 4.07 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 1.18 0.00 0.00 56 K 7.10 4.29 0.00 1.67 1.77 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 57 D 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0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 66 G 7.62 3.80 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 0.00 0.00 0.00 67 G 8.15 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 0.00 0.00 0.00 68 S 8.31 4.17 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.63 3.45 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 0.99 0.00 0.00 0.88 0.00 0.00 70 S 8.10 4.01 0.00 3.92 3.87 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 71 A 8.03 4.11 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 72 G 8.09 3.61 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 0.00 0.00 0.00 73 L 8.14 4.04 0.00 2.03 1.72 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 152 K 8.14 4.03 0.00 1.95 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 153 I 7.82 3.79 2.03 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 1.54 0.67 0.94 0.00 0.00 154 L 8.24 4.14 0.00 2.00 2.02 0.86 0.88 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 0.00 155 A 8.43 4.11 1.52 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 0.00 0.00 156 E 7.96 3.94 0.00 2.19 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 2.36 2.54 0.00 157 N 8.66 4.53 0.00 3.18 3.06 0.00 0.00 6.76 7.90 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 0.00 158 S 7.76 5.02 0.00 3.80 3.62 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 0.00 159 G 7.94 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 0.00 160 Q 7.10 4.53 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 1.93 1.60 0.00 161 S 7.83 4.60 0.00 3.99 3.71 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 *163 E 8.88 4.26 0.00 2.06 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 0.00 2.32 2.26 0.00 164 K 7.90 3.82 0.00 1.87 2.01 0.00 1.52 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.64 7.81 165 V 7.74 3.97 2.20 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 1.43 0.00 0.00 1.19 0.00 0.00 166 H 8.39 4.59 0.00 3.29 3.51 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.01 4.12 1.32 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 0.00 0.00 0.00 0.00 0.00 168 D 7.85 4.43 0.00 2.73 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 0.00 169 A 8.12 4.30 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 0.00 170 E 7.22 4.54 0.00 2.21 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 2.27 2.32 0.00 171 R 7.14 4.67 0.00 1.76 1.74 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 172 D 8.24 4.38 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 N 7.43 4.62 0.00 2.66 2.68 0.00 0.00 7.33 7.95 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 0.00 174 W 8.66 4.90 0.00 3.37 3.37 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 *176 S 8.20 4.35 0.00 4.12 4.12 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 0.00 177 A 8.31 3.97 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 0.00 178 Q 8.18 3.92 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 179 E 8.14 4.25 0.00 2.35 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 2.39 2.40 0.00 180 T 7.92 3.97 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 0.34 0.00 0.00 181 L 7.94 3.90 0.00 1.60 1.86 0.95 0.94 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 0.00 182 E 7.83 4.03 0.00 2.31 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 0.00 2.32 2.34 0.00 183 Y 8.05 3.89 0.00 3.28 2.70 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 0.00 184 G 7.62 4.17 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 0.00 0.00 0.00 185 F 7.82 4.61 0.00 2.74 2.96 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 0.00 186 I 7.37 4.67 1.97 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 1.37 0.61 0.85 0.00 0.00 187 D 8.59 4.53 0.00 2.36 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 0.00 188 E 7.46 4.62 0.00 1.97 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 0.00 2.46 2.41 0.00 189 I 8.12 4.22 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 1.38 0.68 0.95 0.00 0.00 *191 A 8.14 4.06 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 0.00 192 N 8.56 4.78 0.00 2.68 2.73 0.00 0.00 6.90 7.79 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 0.00 193 N 8.32 4.89 0.00 2.72 2.72 0.00 0.00 7.03 7.57 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 0.00 194 S 8.44 4.30 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.