NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4233 8.1927 115.2909 57.7489 62.4382 173.4809 3 V 3.3565 8.2876 126.1807 64.0073 31.7724 174.7967 4 I 4.3565 7.5484 121.5994 58.9624 40.4022 174.9220 5 A 4.3421 8.3637 128.0256 51.5691 19.3101 177.4770 6 K 4.2785 8.4770 118.3964 58.5742 32.4804 177.2284 7 Q 4.7855 7.8871 118.8962 54.6424 31.4376 173.4202 8 M 5.1109 8.6892 123.2726 54.0091 36.9518 175.5385 9 T 4.8968 8.3747 112.5712 61.7131 72.3323 172.3920 10 Y 5.3088 8.0992 117.8547 56.7847 41.9422 173.1022 11 K 5.2454 9.0983 120.4779 54.8275 36.2517 175.2060 12 V 5.1156 8.5756 124.7471 60.3867 35.5052 173.5572 13 Y 5.2785 9.4746 120.7602 56.5957 41.2349 174.2455 14 M 5.9277 9.5706 123.5472 53.4762 36.4149 173.7148 15 S 4.1346 7.5550 117.3629 57.1470 66.4015 174.9331 16 G 4.4469 5.5628 106.0689 46.1620 0.0000 171.0863 17 T 5.0695 7.7104 115.5665 61.8315 72.0943 172.8154 18 V 4.6797 8.4210 126.0718 61.8845 33.1101 175.2240 19 N 4.3682 10.9700 127.9274 54.5208 36.5350 174.9053 20 G 3.6933 8.4021 98.5679 46.8681 0.0000 173.5738 21 H 4.8420 8.1736 120.1093 53.9717 32.1454 171.7148 22 Y 5.1288 9.0152 126.7250 57.5465 39.7673 174.3462 23 F 5.0618 6.7199 117.5528 56.2198 41.2691 172.3375 24 E 5.1216 9.9702 119.6576 54.7756 33.9490 175.1026 25 V 5.0204 9.6015 122.0473 61.6844 35.4381 173.7979 26 E 5.6763 8.1964 125.6007 54.0071 34.2718 174.5978 27 G 4.4728 7.9453 106.9637 46.3228 0.0000 171.6262 28 D 5.3143 8.6258 118.5463 52.4181 44.9784 175.5961 29 G 3.7687 8.5538 109.1117 44.0878 0.0000 170.9428 30 K 5.5894 8.5421 118.8330 53.4566 36.4821 174.4712 31 G 4.7818 8.4026 106.1557 44.3702 0.0000 172.6700 32 K 4.9226 8.2801 121.2250 54.4237 31.7889 176.1744 33 P 4.5272 0.0000 0.0000 63.7403 31.4451 176.9034 34 Y 4.3636 7.8329 115.5532 59.3861 38.9153 176.8134 35 E 4.1124 8.3989 118.6980 57.5770 30.0979 177.8018 36 G 4.0622 8.9080 106.1412 45.1585 0.0000 171.9761 37 E 5.7465 8.1622 117.7067 53.6440 33.2964 174.8761 38 Q 4.9156 8.2529 118.1546 55.6485 31.7061 172.7658 39 T 5.3426 8.3862 110.8590 60.3531 72.8722 172.6081 40 V 4.5221 8.4169 119.5618 60.8129 35.6382 173.2616 41 K 4.9803 8.8966 120.6307 55.1057 35.7845 175.4668 42 L 5.3927 9.4590 125.4461 53.2990 45.2064 175.9203 43 T 5.0372 8.9494 117.0803 61.8924 72.9977 173.8296 44 V 4.6718 8.1529 125.6648 61.2142 28.7281 175.2670 45 T 4.1518 8.1753 114.0923 64.5635 69.3943 175.1346 46 K 4.3978 8.5975 120.9952 56.3757 36.0649 176.5094 47 G 4.1923 9.3188 114.8450 45.5060 0.0000 173.7310 48 G 3.7774 7.9242 107.9522 44.7556 0.0000 172.0290 49 P 4.6802 0.0000 0.0000 60.9571 32.6546 175.5928 50 L 3.7978 8.0186 119.7409 54.1246 41.8368 175.8553 51 P 4.5517 0.0000 0.0000 62.5623 31.2029 175.1590 52 F 4.8548 6.5785 112.0602 55.4299 41.2453 173.4776 53 A 4.0003 8.4939 123.8796 51.1526 18.8734 178.6797 54 W 4.1750 8.4010 132.1205 60.2733 31.0750 177.8407 55 D 4.6782 8.0442 118.4076 57.0707 39.9227 178.3030 56 I 4.2576 7.9851 112.6646 64.2048 37.5649 177.4996 57 L 4.2187 7.8590 120.3161 56.6838 41.5633 179.1761 58 S 4.2739 7.7693 114.9111 60.5203 62.8422 173.9077 59 P 4.5299 0.0000 0.0000 63.4845 31.5319 176.2106 60 Q 4.6393 8.0086 117.7444 56.4547 28.6828 175.8956 61 L 4.6139 7.5705 117.0352 54.9077 42.5388 176.9786 *65 S 3.7846 7.7511 111.3825 57.3889 63.2837 175.2066 66 I 3.3234 7.8113 122.2045 64.1154 37.0782 176.2408 67 P 4.3141 0.0000 0.0000 65.0379 31.2271 177.0656 68 F 4.3979 8.0887 117.7449 56.1636 37.0377 173.5202 69 T 5.0571 7.5191 117.3758 62.9267 71.4501 173.0861 70 K 4.2634 8.7534 128.9864 56.8689 33.7488 175.2200 71 Y 4.5958 8.3918 122.9326 55.5359 41.8224 173.4091 72 P 4.3189 0.0000 0.0000 62.8159 31.9245 177.2099 73 E 4.1583 8.9496 122.4084 59.1252 29.6266 177.5742 74 D 4.8145 8.0143 116.6627 53.8043 41.1194 176.1887 75 I 4.3696 8.2466 120.7033 58.8467 39.7123 172.8851 76 P 4.0522 0.0000 0.0000 62.9998 31.3343 177.1310 77 D 3.5513 8.2912 123.6925 53.0020 40.3920 175.1063 78 Y 3.8208 7.9447 127.4008 60.4190 38.4963 177.5131 79 F 4.4392 7.7538 117.0145 59.5756 39.5685 177.6973 80 K 4.3669 8.2746 117.6942 59.9009 32.0267 179.5181 81 Q 3.8877 7.6529 116.6760 58.9499 28.8778 179.6190 82 S 4.1760 7.8128 113.2259 58.9847 63.1888 174.0681 83 F 4.8827 7.8375 121.5647 55.4421 40.5215 173.8705 84 P 4.9248 0.0000 0.0000 63.6643 31.0805 176.8892 85 E 3.6791 7.6301 117.8093 57.4333 30.4303 178.2990 86 G 3.0204 7.3707 105.9605 44.2783 0.0000 171.6492 87 Y 5.3587 7.8387 117.0257 56.1629 42.0224 174.0275 88 T 5.3968 10.3455 110.6629 59.7404 72.3325 172.8728 89 W 6.2229 8.4062 118.7815 53.8991 32.0886 173.7651 90 E 5.2238 8.7167 120.1463 55.0713 32.2896 174.8211 91 R 5.1083 9.4613 122.6245 54.9970 34.3173 173.7608 92 S 5.0299 8.9494 119.3592 56.7741 66.7065 172.8835 93 M 4.6712 9.5153 123.6641 53.8361 33.7974 174.1656 94 N 4.9942 9.1070 122.8438 51.6991 40.4339 174.3839 95 F 4.9359 8.8719 123.5265 56.0949 40.4848 176.9658 96 E 4.0042 9.3550 123.2160 59.8090 29.2485 178.5532 97 D 4.4398 8.3634 118.1841 55.5509 41.4521 176.8079 98 G 3.8884 9.4551 107.2424 45.3204 0.0000 172.7162 99 A 4.3995 7.7014 121.2782 50.5283 20.8518 176.8781 100 V 4.8552 8.0348 120.7044 61.2191 34.6879 173.7928 101 C 5.4903 9.0812 125.4952 58.2523 30.7464 172.8949 102 T 4.8685 8.6946 114.2074 60.1823 71.0535 173.8453 103 V 5.0061 9.1527 123.4391 61.3598 35.4381 174.2069 104 S 4.9717 8.8936 120.1372 56.8959 67.0584 172.2172 105 N 5.0363 8.9057 119.1079 52.2173 42.6985 172.2548 106 D 5.1272 9.6261 126.0704 52.5631 44.0056 174.8989 107 S 5.3084 8.9422 122.0192 57.0948 65.7990 172.9470 108 S 5.2910 8.5970 122.0238 57.3342 66.3963 172.3800 109 I 4.6734 8.4135 117.9540 60.7763 40.5686 175.8606 110 Q 4.4990 9.4947 131.2420 54.4033 29.3931 177.3118 111 G 3.9277 8.1928 116.4164 46.4791 0.0000 171.9422 112 N 4.7982 8.8843 119.3318 52.6068 40.1140 173.3057 113 C 5.4066 7.3625 119.2133 56.8750 34.9041 173.3535 114 F 4.7748 8.3632 125.0765 57.6758 40.3119 174.3054 115 I 5.5270 8.1505 121.1728 58.7879 40.8519 174.0444 116 Y 5.3120 8.6264 123.7198 56.3722 40.6044 173.8543 117 N 5.5969 9.6428 124.4856 51.8000 41.3691 173.8024 118 V 4.9312 8.7396 125.4713 59.8920 34.9314 174.3421 119 K 4.9230 9.3714 125.0438 54.3368 34.9531 174.8010 120 I 4.8414 8.5070 125.2073 59.1516 40.9906 173.9790 121 S 5.0785 9.2833 123.8706 56.5264 65.2658 172.7654 122 G 4.5631 9.5731 114.1624 44.8361 0.0000 171.2589 123 E 5.0994 8.6213 123.8999 53.1475 34.0006 175.7138 124 N 4.2832 8.9711 113.3296 54.0862 36.3499 174.6805 125 F 4.1571 7.5552 117.0502 56.8770 39.5043 173.8318 126 P 4.4622 0.0000 0.0000 61.7391 31.8971 175.5450 127 P 4.2670 0.0000 0.0000 65.5817 31.3136 177.1108 128 N 4.6057 8.0853 112.5915 53.1659 39.5170 175.2224 129 G 3.9860 7.7664 108.6772 44.5841 0.0000 172.4978 130 P 4.3034 0.0000 0.0000 63.5743 32.1907 178.5126 131 V 3.4093 7.3376 119.6103 65.8707 32.2606 177.5629 132 M 3.9561 7.9312 118.9052 58.8562 31.8176 178.2268 133 Q 3.9474 8.1346 114.0034 56.4451 28.7271 177.8999 134 K 3.8718 7.0450 114.1673 57.3718 29.2458 174.3943 135 K 4.5681 8.5486 120.8849 56.1163 34.1238 177.0440 136 T 4.6249 7.5684 110.6038 60.4351 70.2765 174.5719 137 Q 4.5130 8.9029 121.0624 55.3964 28.7988 175.7122 138 G 4.0346 7.8252 102.7634 44.7454 0.0000 172.6498 139 W 4.9771 8.2685 119.0567 55.6502 30.4455 176.2712 140 E 4.3190 9.3665 123.4600 55.4352 29.6856 175.1273 141 P 4.4851 0.0000 0.0000 63.6227 32.1860 175.3222 142 S 4.7626 8.7080 116.3769 57.0499 67.4789 172.8646 143 T 4.9283 8.2728 115.1151 62.0055 71.3331 173.3656 144 E 4.5677 9.0549 128.6420 54.9876 31.9742 174.8950 145 R 4.9904 8.8134 125.2871 54.4758 32.7233 174.8584 146 L 6.0203 9.7001 125.0718 52.0460 45.0827 175.7721 147 F 5.5009 8.7456 116.8191 54.9960 42.1276 172.8755 148 A 4.8211 8.5796 120.0730 50.6973 20.3021 177.8960 149 R 4.1825 8.6751 123.0207 55.8282 31.7436 173.5588 150 D 4.1932 8.7644 126.9202 55.3293 37.0327 174.9199 151 G 3.9810 7.9411 102.3811 46.4644 0.0000 171.5495 152 M 4.8275 7.6794 118.5033 53.4266 35.3766 174.8091 153 L 4.6789 8.0113 121.2960 53.2067 43.8115 175.7690 154 I 4.4853 7.8622 125.4669 60.0534 39.0924 175.2355 155 G 4.5286 9.0228 112.7567 44.5842 0.0000 171.2005 156 N 5.9304 8.8901 120.2614 50.2024 42.9685 173.0194 157 D 4.5740 8.1234 121.7157 52.6432 44.9028 173.3220 158 Y 4.7729 8.2890 123.7307 57.1293 39.0320 174.6700 159 M 4.6124 9.3652 125.3232 53.2980 34.9414 174.9362 160 A 5.0810 8.6526 125.0926 50.5694 21.6088 175.4267 161 L 4.7279 9.2920 123.9990 52.5052 43.9014 176.3774 162 K 4.4265 8.5434 124.3401 57.1832 32.6827 177.0276 163 L 4.6586 8.2809 125.2748 52.9305 44.1838 175.8726 164 E 4.1942 8.2283 121.8237 58.0763 29.6434 176.9257 165 G 3.8031 8.8140 114.3415 45.2381 0.0000 173.6778 166 G 3.8805 7.8021 105.1545 45.6174 0.0000 176.5034 167 G 3.9466 7.4850 110.8509 45.8019 0.0000 172.2607 168 H 5.2024 8.3277 116.4499 55.0173 33.1870 172.6674 169 Y 5.0352 9.2743 122.4852 55.9300 41.9034 173.9421 170 L 5.2428 8.2875 125.4422 53.1141 44.4722 174.9984 171 C 5.0374 9.2151 124.0577 57.4037 35.3282 171.9529 172 E 4.7995 9.4118 127.4714 55.0358 31.2544 174.4686 173 F 5.0046 8.9781 126.4373 56.2739 40.8836 175.0145 174 K 4.4526 9.0923 124.7533 54.8636 33.9168 175.0319 175 S 4.9043 8.8973 121.8699 56.6061 66.1750 173.6213 176 T 4.5660 8.7636 121.0678 62.0040 71.0085 172.5613 177 Y 5.1029 8.6242 125.7524 56.5854 39.5413 175.1115 178 K 4.8733 9.8946 125.2147 54.6677 34.9814 174.6670 179 A 4.3338 9.1960 130.4419 50.9185 19.8025 178.0402 180 K 4.3955 8.9734 119.4615 56.6111 32.1574 176.6042 181 K 4.2910 7.4136 118.8202 55.3719 35.4078 173.4264 182 P 4.3354 0.0000 0.0000 62.0563 30.6550 176.8992 183 V 4.0708 7.6781 117.1204 59.2097 33.4558 175.8436 184 R 4.0193 8.6994 122.0272 56.6119 30.2703 175.5790 185 M 4.4356 8.4491 125.0669 53.6260 32.8825 174.3419 186 P 4.3986 0.0000 0.0000 61.9649 32.3281 176.4648 187 G 3.9000 8.4479 110.4159 45.0711 0.0000 172.7386 188 R 4.4737 8.3658 118.0029 57.4153 30.7118 175.8973 189 H 4.5550 8.4302 115.4924 55.5643 32.4366 172.5790 190 E 5.1621 8.6030 117.7988 54.7097 33.5056 175.0857 191 I 4.7688 8.6719 123.3667 59.6685 40.3477 174.3007 192 D 5.2832 9.0245 126.8579 53.1140 43.2421 175.8044 193 R 5.5549 8.9018 120.2462 54.1328 35.8297 173.7589 194 K 4.8089 8.2813 119.8318 55.1414 35.8970 174.2883 195 L 5.1556 8.6470 128.1375 53.5736 45.0273 174.8828 196 D 4.9691 8.6615 126.2961 52.1535 44.0816 175.0562 197 V 3.8955 8.8962 124.1906 64.1517 30.7483 175.9140 198 T 4.2756 8.9499 118.2232 64.0084 69.1692 175.0342 199 S 4.9119 7.8105 117.2430 56.1265 66.6411 171.7861 200 H 5.4350 8.4625 114.9821 55.2226 31.1000 172.6174 201 N 4.5886 8.5129 119.8904 52.3697 39.1182 176.6226 202 R 3.7535 8.5989 118.3843 59.2548 29.4734 177.8953 203 D 4.8106 7.9545 116.1100 52.3387 39.8141 175.8244 204 Y 3.6358 7.2564 115.0741 59.9913 35.9879 171.1621 205 T 4.4951 7.3951 106.6895 62.2254 71.2383 175.0544 206 S 5.1644 8.4912 118.8306 56.7492 66.9542 173.3009 207 V 4.6176 8.5655 122.9834 61.5218 35.3035 172.8671 208 E 5.3140 9.3255 126.3027 54.8153 32.9476 175.0323 209 Q 5.6308 9.3303 120.4854 53.2556 33.5824 173.8670 210 C 5.4772 8.6585 114.9835 56.6066 33.8118 172.2049 211 E 4.9667 9.2156 120.2321 54.6545 33.1664 173.5654 212 I 5.0356 8.4845 126.3522 59.2275 40.9605 174.1176 213 A 5.1473 9.3199 130.6480 50.8886 22.7803 175.0445 214 I 5.1181 8.7887 122.1006 59.5016 42.0044 174.2373 215 A 5.0761 7.8863 122.9054 50.6514 22.2489 175.4543 216 R 4.4244 8.2241 114.6656 55.3513 33.2498 173.9768 217 H 4.6419 8.7955 117.1737 55.3353 29.4815 177.1248 218 S 4.8567 8.5236 121.1590 58.3089 61.3415 174.5263 219 L 4.1930 8.3134 130.7393 56.4248 41.9769 175.2784 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 S 8.19 4.42 0.00 3.86 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 3 V 8.29 3.36 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 0.89 0.00 0.00 0.98 0.00 0.00 4 I 7.55 4.36 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.71 0.91 0.00 0.00 5 A 8.36 4.34 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 6 K 8.48 4.28 0.00 1.82 1.89 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.13 7.81 7 Q 7.89 4.79 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 8 M 8.69 5.11 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.37 0.00 9 T 8.37 4.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 10 Y 8.10 5.31 0.00 3.18 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 11 K 9.10 5.25 0.00 1.87 1.64 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.01 7.81 12 V 8.58 5.12 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.17 0.00 0.00 13 Y 9.47 5.28 0.00 3.10 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 14 M 9.57 5.93 0.00 2.22 1.89 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 15 S 7.55 4.13 0.00 3.51 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 16 G 5.56 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.71 5.07 4.32 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 1.37 0.00 0.00 18 V 8.42 4.68 1.72 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 0.38 0.00 0.00 0.27 0.00 0.00 19 N 10.97 4.37 0.00 2.97 2.89 0.00 0.00 6.52 7.73 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 20 G 8.40 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.17 4.84 0.00 3.32 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.02 5.13 0.00 3.06 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 23 F 6.72 5.06 0.00 3.39 3.22 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 24 E 9.97 5.12 0.00 1.87 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 2.17 2.08 0.00 25 V 9.60 5.02 2.31 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 1.28 0.00 0.00 1.28 0.00 0.00 26 E 8.20 5.68 0.00 1.92 1.65 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 2.30 2.23 0.00 27 G 7.95 4.47 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 0.00 28 D 8.63 5.31 0.00 2.51 2.42 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 29 G 8.55 3.77 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 0.00 0.00 0.00 30 K 8.54 5.59 0.00 1.76 1.85 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.20 7.81 31 G 8.40 4.78 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 0.00 0.00 0.00 32 K 8.28 4.92 0.00 1.99 1.96 0.00 2.04 0.00 0.00 1.86 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.53 7.81 33 P 0.00 4.53 0.00 1.52 1.30 0.00 3.87 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.38 0.00 34 Y 7.83 4.36 0.00 3.04 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 35 E 8.40 4.11 0.00 2.20 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 0.00 2.42 2.32 0.00 36 G 8.91 4.06 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 0.00 0.00 0.00 37 E 8.16 5.75 0.00 1.96 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 2.34 2.19 0.00 38 Q 8.25 4.92 0.00 1.81 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 39 T 8.39 5.34 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 V 8.42 4.52 2.29 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 0.86 0.00 0.00 1.10 0.00 0.00 41 K 8.90 4.98 0.00 1.67 1.69 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.35 7.81 42 L 9.46 5.39 0.00 1.65 1.83 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.95 5.04 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 44 V 8.15 4.67 2.18 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 1.03 0.00 0.00 1.12 0.00 0.00 45 T 8.18 4.15 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 1.40 0.00 0.00 46 K 8.60 4.40 0.00 1.93 1.87 0.00 1.77 0.00 0.00 2.09 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 G 9.32 4.19 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 0.00 48 G 7.92 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 0.00 0.00 0.00 49 P 0.00 4.68 0.00 2.17 2.30 0.00 3.79 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 1.94 1.98 0.00 50 L 8.02 3.80 0.00 1.13 0.16 0.91 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.55 0.00 2.15 2.06 0.00 3.40 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.68 0.00 52 F 6.58 4.85 0.00 2.89 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 53 A 8.49 4.00 1.18 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 0.00 0.00 54 W 8.40 4.18 0.00 3.03 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 55 D 8.04 4.68 0.00 2.58 2.47 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 56 I 7.99 4.26 2.04 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.50 0.92 0.00 0.00 57 L 7.86 4.22 0.00 0.90 1.25 0.37 0.63 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 58 S 7.77 4.27 0.00 4.44 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.53 0.00 2.17 1.95 0.00 3.95 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.43 0.00 60 Q 8.01 4.64 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.37 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 61 L 7.57 4.61 0.00 1.83 1.82 1.15 1.35 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 *65 S 7.75 3.78 0.00 3.51 3.81 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 66 I 7.81 3.32 0.80 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.03 -0.74 0.00 0.00 67 P 0.00 4.31 0.00 1.35 1.94 0.00 3.73 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 1.48 2.52 0.00 68 F 8.09 4.40 0.00 3.08 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 69 T 7.52 5.06 4.43 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 1.30 0.00 0.00 70 K 8.75 4.26 0.00 2.08 1.76 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.57 7.81 71 Y 8.39 4.60 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.32 0.00 2.20 2.03 0.00 3.52 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 2.07 2.11 0.00 73 E 8.95 4.16 0.00 2.00 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 2.38 2.44 0.00 74 D 8.01 4.81 0.00 2.74 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 75 I 8.25 4.37 2.09 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.94 0.00 0.00 76 P 0.00 4.05 0.00 2.13 2.05 0.00 3.69 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 2.22 2.11 0.00 77 D 8.29 3.55 0.00 2.32 2.35 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 78 Y 7.94 3.82 0.00 2.61 1.83 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 79 F 7.75 4.44 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 80 K 8.27 4.37 0.00 1.76 1.84 0.00 1.61 0.00 0.00 1.15 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.41 7.81 81 Q 7.65 3.89 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 82 S 7.81 4.18 0.00 3.94 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 0.00 83 F 7.84 4.88 0.00 3.11 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 84 P 0.00 4.92 0.00 2.27 2.27 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 85 E 7.63 3.68 0.00 2.03 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 2.29 2.38 0.00 86 G 7.37 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 0.00 0.00 0.00 87 Y 7.84 5.36 0.00 3.22 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 88 T 10.35 5.40 4.28 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 0.00 0.00 0.00 1.21 0.00 0.00 89 W 8.41 6.22 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 90 E 8.72 5.22 0.00 1.86 1.84 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 2.28 2.19 0.00 91 R 9.46 5.11 0.00 1.71 1.89 0.00 2.86 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.00 92 S 8.95 5.03 0.00 3.86 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 93 M 9.52 4.67 0.00 1.51 1.98 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.27 0.00 94 N 9.11 4.99 0.00 2.53 2.70 0.00 0.00 6.69 8.07 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 95 F 8.87 4.94 0.00 3.06 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 96 E 9.36 4.00 0.00 1.96 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 2.39 2.25 0.00 97 D 8.36 4.44 0.00 3.24 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 98 G 9.46 3.89 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 0.00 0.00 0.00 99 A 7.70 4.40 0.48 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 0.00 0.00 100 V 8.03 4.86 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 1.05 0.00 0.00 0.90 0.00 0.00 101 C 9.08 5.49 0.00 3.04 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 0.00 102 T 8.69 4.87 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 1.18 0.00 0.00 103 V 9.15 5.01 2.25 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 1.03 0.00 0.00 0.94 0.00 0.00 104 S 8.89 4.97 0.00 3.70 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 0.00 105 N 8.91 5.04 0.00 1.68 1.42 0.00 0.00 6.88 9.14 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 0.00 106 D 9.63 5.13 0.00 2.55 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 0.00 107 S 8.94 5.31 0.00 2.74 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 0.00 108 S 8.60 5.29 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.41 4.67 2.18 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 1.18 0.00 0.00 110 Q 9.49 4.50 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.33 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 111 G 8.19 3.93 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 0.00 0.00 0.00 112 N 8.88 4.80 0.00 2.58 2.72 0.00 0.00 6.19 7.66 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 0.00 113 C 7.36 5.41 0.00 2.84 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 0.00 114 F 8.36 4.77 0.00 2.61 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 0.00 115 I 8.15 5.53 1.96 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 1.31 1.27 1.15 0.00 0.00 116 Y 8.63 5.31 0.00 2.97 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 0.00 117 N 9.64 5.60 0.00 2.75 2.66 0.00 0.00 6.24 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 0.00 118 V 8.74 4.93 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 0.79 0.00 0.00 0.86 0.00 0.00 119 K 9.37 4.92 0.00 1.60 1.65 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.30 1.33 7.81 120 I 8.51 4.84 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.75 1.02 0.00 0.00 121 S 9.28 5.08 0.00 3.89 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 0.00 122 G 9.57 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.62 5.10 0.00 1.91 1.85 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 2.23 2.11 0.00 124 N 8.97 4.28 0.00 2.72 2.82 0.00 0.00 6.89 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 0.00 125 F 7.56 4.16 0.00 2.93 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 0.00 126 P 0.00 4.46 0.00 2.27 1.99 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 127 P 0.00 4.27 0.00 2.04 2.15 0.00 3.68 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 2.05 2.15 0.00 128 N 8.09 4.61 0.00 2.69 2.84 0.00 0.00 6.80 7.65 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 0.00 129 G 7.77 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.30 0.00 1.91 2.06 0.00 3.13 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.27 0.00 131 V 7.34 3.41 1.64 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 0.03 0.00 0.00 0.56 0.00 0.00 132 M 7.93 3.96 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 133 Q 8.13 3.95 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.53 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 134 K 7.05 3.87 0.00 1.78 1.89 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.46 7.81 135 K 8.55 4.57 0.00 1.50 1.72 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.27 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 136 T 7.57 4.62 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 1.04 0.00 0.00 137 Q 8.90 4.51 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.57 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 138 G 7.83 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 0.00 0.00 0.00 139 W 8.27 4.98 0.00 3.21 3.14 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 0.00 0.00 0.00 0.00 140 E 9.37 4.32 0.00 1.85 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 2.39 2.38 0.00 141 P 0.00 4.49 0.00 1.94 2.12 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 142 S 8.71 4.76 0.00 4.08 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 0.00 143 T 8.27 4.93 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 1.28 0.00 0.00 144 E 9.05 4.57 0.00 2.16 1.68 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 2.20 2.36 0.00 145 R 8.81 4.99 0.00 1.78 1.81 0.00 3.16 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 146 L 9.70 6.02 0.00 1.27 1.43 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.75 5.50 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.58 4.82 1.24 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 0.00 0.00 149 R 8.68 4.18 0.00 1.51 1.60 0.00 3.31 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 150 D 8.76 4.19 0.00 2.91 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 0.00 151 G 7.94 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 0.00 0.00 0.00 152 M 7.68 4.83 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 153 L 8.01 4.68 0.00 0.73 1.40 0.32 0.62 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 0.00 154 I 7.86 4.49 0.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.42 0.94 0.00 0.00 155 G 9.02 4.53 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 0.00 0.00 0.00 156 N 8.89 5.93 0.00 2.51 2.36 0.00 0.00 6.25 8.09 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 0.00 157 D 8.12 4.57 0.00 2.46 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 0.00 0.00 0.00 158 Y 8.29 4.77 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 M 9.37 4.61 0.00 1.47 1.40 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.99 0.00 160 A 8.65 5.08 1.15 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 0.00 0.00 161 L 9.29 4.73 0.00 1.65 1.44 0.60 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.54 4.43 0.00 1.89 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.53 7.81 163 L 8.28 4.66 0.00 1.54 1.54 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.23 4.19 0.00 2.10 1.84 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 2.30 2.24 0.00 165 G 8.81 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 0.00 166 G 7.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.49 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 0.00 0.00 0.00 168 H 8.33 5.20 0.00 3.05 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 9.27 5.04 0.00 2.90 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 0.00 170 L 8.29 5.24 0.00 1.62 1.53 0.94 0.57 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 0.00 171 C 9.22 5.04 0.00 2.87 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 0.00 172 E 9.41 4.80 0.00 2.12 1.79 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 2.16 2.19 0.00 173 F 8.98 5.00 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 9.09 4.45 0.00 1.56 1.66 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.39 7.81 175 S 8.90 4.90 0.00 3.51 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 0.00 176 T 8.76 4.57 4.14 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 0.00 0.00 0.00 1.12 0.00 0.00 177 Y 8.62 5.10 0.00 2.75 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 0.00 178 K 9.89 4.87 0.00 1.80 1.90 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 179 A 9.20 4.33 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.97 4.40 0.00 1.61 1.80 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.37 7.81 181 K 7.41 4.29 0.00 1.75 1.70 0.00 1.55 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.29 7.81 182 P 0.00 4.34 0.00 2.03 2.04 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 183 V 7.68 4.07 2.03 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 0.43 0.00 0.00 0.43 0.00 0.00 184 R 8.70 4.02 0.00 1.98 1.82 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 185 M 8.45 4.44 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 186 P 0.00 4.40 0.00 2.11 2.22 0.00 3.79 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 1.99 1.99 0.00 187 G 8.45 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.37 4.47 0.00 1.76 1.96 0.00 3.26 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 189 H 8.43 4.55 0.00 3.27 3.31 0.00 5.20 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 0.00 190 E 8.60 5.16 0.00 1.86 1.83 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 2.18 2.23 0.00 191 I 8.67 4.77 1.74 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 1.03 0.69 0.83 0.00 0.00 192 D 9.02 5.28 0.00 2.50 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 0.00 193 R 8.90 5.55 0.00 1.59 1.71 0.00 2.97 0.00 0.00 3.08 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.29 0.00 194 K 8.28 4.81 0.00 1.80 1.60 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 195 L 8.65 5.16 0.00 1.63 1.60 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 196 D 8.66 4.97 0.00 2.61 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 0.00 197 V 8.90 3.90 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 0.93 0.00 0.00 1.16 0.00 0.00 198 T 8.95 4.28 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 1.29 0.00 0.00 199 S 7.81 4.91 0.00 3.79 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 0.00 200 H 8.46 5.43 0.00 2.75 3.10 0.00 5.12 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 N 8.51 4.59 0.00 2.68 2.87 0.00 0.00 6.10 7.66 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 0.00 202 R 8.60 3.75 0.00 1.85 1.93 0.00 3.25 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 203 D 7.95 4.81 0.00 2.79 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 0.00 204 Y 7.26 3.64 0.00 3.02 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 0.00 205 T 7.40 4.50 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 206 S 8.49 5.16 0.00 3.66 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 V 8.57 4.62 1.28 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 0.52 0.00 0.00 0.01 0.00 0.00 208 E 9.33 5.31 0.00 1.87 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 2.17 2.19 0.00 209 Q 9.33 5.63 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 210 C 8.66 5.48 0.00 2.98 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 0.00 211 E 9.22 4.97 0.00 2.01 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 2.20 2.23 0.00 212 I 8.48 5.04 1.90 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 1.20 1.60 0.92 0.00 0.00 213 A 9.32 5.15 1.17 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 0.00 214 I 8.79 5.12 1.84 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 1.17 0.70 0.86 0.00 0.00 215 A 7.89 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 R 8.22 4.42 0.00 1.86 1.95 0.00 2.77 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 217 H 8.80 4.64 0.00 3.06 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 S 8.52 4.86 0.00 3.88 3.39 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 0.00 219 L 8.31 4.19 0.00 1.52 1.45 0.92 0.77 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 * Residues marked with a * may have inaccurate shift predictions.