NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5787 8.2893 120.3370 55.2756 33.4705 174.0323 2 I 4.3673 8.0022 112.5008 58.8422 39.7421 174.4111 3 D 4.5186 9.4760 126.3030 54.5252 40.3377 177.2320 4 T 3.3184 8.2852 124.8819 66.1724 65.7279 173.6389 5 L 3.7012 7.7307 114.1649 55.9357 38.9006 173.3805 6 R 4.1702 7.8607 124.7714 58.2957 31.3914 175.1786 7 P 4.4594 0.0000 0.0000 62.7236 31.7585 174.4246 8 V 4.0785 8.0792 115.7890 64.7979 33.0855 176.1824 9 P 4.4186 0.0000 0.0000 61.6084 31.0270 175.4025 10 F 4.2040 7.5163 115.2780 58.4876 38.2704 174.8215 11 A 3.8764 8.8383 119.3448 52.7731 15.8796 178.5339 12 S 4.3918 7.2671 107.9139 59.3553 63.7750 175.2020 13 E 4.4222 8.2129 119.0037 56.8459 30.1945 174.6280 14 M 4.0547 7.7417 116.6907 52.9413 32.7191 174.4220 15 A 4.0647 7.7560 128.4187 51.5549 20.3977 176.9828 16 I 3.6412 7.2410 108.1863 61.4205 40.5841 176.0729 17 S 5.4004 6.7542 112.0688 58.5015 64.2543 174.8828 18 K 4.2672 7.5508 121.1646 56.6003 34.1723 176.2457 19 T 4.3654 6.7477 111.5303 62.0917 71.1815 170.9010 20 V 3.6744 8.1432 120.0023 60.9504 33.3539 175.3624 21 A 4.2507 6.6787 128.3506 50.4535 22.1146 174.7889 22 W 4.9884 8.7458 120.9347 57.4105 30.0013 173.5122 23 L 3.8209 7.7984 122.2386 55.0125 41.0142 175.3447 24 N 4.4260 8.6792 117.1902 57.1654 38.5143 176.2278 25 E 3.9735 8.4426 119.5212 59.9417 29.2932 179.0852 26 Q 3.7647 8.0439 117.2111 59.2159 29.0513 178.6179 27 L 4.3913 7.9320 118.0154 57.8251 41.6959 178.8388 28 E 4.2773 8.1249 118.0658 59.0816 30.0588 177.3143 29 L 3.4151 8.4291 114.3264 54.3964 42.8451 177.4141 30 G 3.9988 8.4594 111.2473 46.3350 0.0000 171.3260 31 N 4.9855 6.9369 112.7779 53.3349 45.1604 174.8322 32 E 4.7201 7.9310 118.8169 56.7578 30.7569 176.4561 33 R 4.5100 7.6001 115.5294 56.4619 31.7076 174.7881 34 L 4.2220 7.3686 119.5855 54.8977 45.4338 173.5305 35 L 4.4597 8.4730 123.7939 54.1393 44.6142 175.1112 36 L 4.8210 8.7546 127.8250 54.2037 44.3142 176.1156 37 M 4.6183 8.4086 119.0126 54.8415 35.2029 174.3156 38 D 3.3700 8.4973 120.3143 53.6267 42.5421 177.5574 39 C 3.8008 8.8395 120.9616 61.5034 31.6902 171.4942 40 R 4.4817 8.2077 122.8594 57.3696 31.9937 174.6091 41 P 4.3398 0.0000 0.0000 65.1884 31.8632 177.9548 42 Q 4.6405 7.7397 116.4965 56.1743 29.6782 178.0402 43 E 4.7070 8.1883 120.1477 59.7114 29.2812 178.2259 44 L 3.9170 7.7550 118.5232 57.7523 42.1258 178.2691 45 Y 4.6791 8.1530 120.2267 60.3810 38.9709 177.4285 46 E 4.0420 8.6862 119.0054 59.9123 28.9155 179.0745 47 S 4.0725 8.1518 113.5978 61.1601 62.5090 176.1147 48 S 4.2267 8.3778 118.4512 61.9847 62.4024 176.1807 49 H 4.2918 7.8868 116.3058 60.1111 28.3584 174.5329 50 I 4.6772 7.9525 121.1189 59.8598 39.3478 172.8073 51 E 3.9973 8.5118 116.5614 57.8029 29.5340 175.8452 52 S 4.8187 7.9613 117.9053 55.1079 63.9393 173.0787 53 A 4.3943 8.3308 125.5436 51.5948 19.3533 176.5037 54 I 4.3152 7.8848 120.0121 59.4667 40.1473 175.3850 55 N 4.7350 8.5762 123.4562 53.8585 37.8624 174.1077 56 V 4.1229 8.3698 117.5121 59.9596 33.8989 176.2610 57 A 4.4329 9.0166 127.3502 50.5777 18.1507 176.2673 58 I 4.9179 7.6543 113.9707 58.6598 40.1837 174.1856 59 P 4.3481 0.0000 0.0000 64.4592 31.7370 178.1720 60 G 4.1636 7.2979 105.9655 45.4028 0.0000 172.1649 61 I 3.4037 8.2046 113.6757 62.7734 34.3887 173.8988 62 M 2.8096 8.6631 113.7367 56.7638 29.1046 177.9447 63 L 3.8909 8.1027 112.2031 55.4162 39.5601 175.2671 64 R 3.6922 7.8184 115.4916 54.6426 28.7488 177.1707 65 R 5.5717 6.7973 123.0093 55.9397 34.4137 174.4498 66 L 4.2234 7.6155 130.2114 54.5027 39.5082 175.6240 67 Q 4.8804 6.7985 118.1335 54.9404 31.1202 174.3873 68 K 4.0992 10.2084 131.0701 57.6335 35.0260 175.8569 69 G 4.2175 8.1598 108.3141 43.5607 0.0000 170.5704 70 N 4.6600 9.2083 119.0261 54.5812 45.7800 174.8867 71 L 3.7831 7.6682 117.1376 53.8320 42.5294 174.9756 72 P 4.4161 0.0000 0.0000 62.4755 31.9818 176.2059 73 V 4.0470 8.1886 112.7485 62.7103 31.8362 176.0673 74 R 3.9276 8.3681 120.4504 56.8517 28.3892 177.3613 75 A 4.1363 7.9929 122.9922 54.9618 18.2852 178.8935 76 L 5.1120 8.1278 114.5978 52.1280 40.0605 174.8523 77 F 4.2256 7.5533 132.0176 59.3642 44.5157 174.5635 78 T 4.6167 8.1513 116.5740 62.2786 66.6369 173.3619 79 R 4.6202 8.1982 125.3400 58.3259 36.2530 175.4288 80 G 4.1284 6.8638 112.8688 45.2772 0.0000 174.1664 81 E 3.8823 7.9840 120.1300 59.1334 29.6908 178.6906 82 D 4.4604 8.1606 118.9961 57.1361 40.7666 178.7617 83 R 4.1976 8.0225 118.4100 59.6395 30.0839 177.8085 84 D 4.3549 8.0591 118.1703 57.5287 41.1701 178.3532 85 R 3.9311 8.1557 118.2717 59.4906 30.1698 178.5189 86 F 4.1614 8.3139 120.5760 61.4069 39.1926 176.8167 87 T 3.5114 8.5267 114.1459 65.0271 67.1652 175.9283 88 R 4.0526 7.6390 119.9451 58.5241 30.1982 177.9844 89 R 4.5147 7.7240 116.2396 55.0325 31.7456 175.8740 90 C 3.8934 7.0457 113.6924 58.8365 30.4914 173.7298 91 G 3.8924 8.6353 109.8243 46.0063 0.0000 174.7334 92 T 3.9092 7.7503 116.2459 65.2987 68.7102 173.3402 93 D 4.5285 7.6609 123.3541 54.6047 46.5814 175.4384 94 T 4.8596 7.3681 114.0655 61.9912 73.6723 172.2698 95 V 5.4328 8.4491 124.4580 60.4656 34.4682 174.3865 96 V 5.1574 8.0627 125.9391 60.4494 35.2710 173.9246 97 L 5.2230 8.7578 126.3064 52.4657 45.3182 175.2442 98 Y 5.3968 7.9964 115.9583 56.8103 35.8832 176.4453 99 D 4.3041 8.4713 118.7491 55.9075 41.9335 177.8026 100 E 4.1474 8.5487 117.0315 55.0478 29.7010 173.2708 101 S 3.8051 8.4828 115.2835 59.2827 62.7267 171.9839 102 S 3.3425 6.5898 121.0702 58.3149 58.9785 170.3241 103 S 4.8107 6.1629 120.1587 59.3083 70.0800 175.9442 104 D 4.6926 8.1700 125.2049 55.6897 42.1496 177.9225 105 W 5.4325 7.3667 113.5367 54.5721 29.6631 176.6005 106 N 3.8812 8.3645 114.5885 53.1425 35.6500 172.7077 107 E 3.8258 7.1124 120.0571 56.5508 27.8673 172.3813 108 N 4.8548 8.6347 118.3704 54.1298 41.2323 176.5266 109 T 3.7228 8.3806 104.2835 62.4218 67.8697 172.7587 110 G 3.8405 8.7116 109.1275 48.1815 0.0000 172.4299 111 G 3.0241 8.2788 107.5910 44.4217 0.0000 173.1868 112 E 4.2968 7.7626 118.8854 56.4699 30.4518 176.5470 113 S 4.3997 8.5372 109.6405 60.5307 64.7156 175.6820 114 L 4.0321 7.5002 121.1734 57.0140 41.5884 179.0086 115 L 4.0970 8.5265 124.1920 57.8624 42.3184 179.2691 116 G 3.8794 8.0751 107.0308 47.1296 0.0000 175.1779 117 L 4.0878 8.0730 122.4392 57.1509 42.2125 178.6051 118 L 3.7263 7.6422 120.5343 57.8086 41.8709 178.8164 119 L 3.8430 8.2203 120.5554 58.2248 42.0734 178.6883 120 K 3.8017 7.8399 118.3313 59.6682 32.0402 179.1470 121 K 3.9644 8.2633 119.6155 59.5002 31.9593 178.8809 122 L 4.1474 7.5410 118.0660 57.6433 41.6926 178.9957 123 K 4.8281 8.3892 120.9999 58.2761 32.0445 178.0533 124 D 4.3596 8.1603 118.0951 57.7373 41.1819 178.2159 125 E 4.1720 7.9851 117.2598 57.6463 30.7673 176.4621 126 G 3.9356 7.2782 108.1083 45.0168 0.0000 171.8561 127 C 4.7019 7.5698 118.0465 59.4941 32.8983 175.5314 128 R 3.8055 8.9270 120.5491 57.4710 30.1003 174.3403 129 A 4.1609 8.6295 122.5354 51.3012 16.7106 175.8026 130 F 4.7499 7.5997 115.1251 56.5721 41.7791 173.8452 131 Y 5.9399 7.5412 119.4375 56.2682 41.2276 174.2630 132 L 4.3213 8.3696 120.1538 55.7325 43.6408 174.5358 133 E 4.7738 9.0562 127.3810 53.8730 34.3671 174.6321 134 G 3.4643 7.4092 110.6546 45.5060 0.0000 174.0131 135 G 4.1936 8.4787 108.2556 44.0198 0.0000 172.7108 136 F 3.5453 8.5366 126.0463 56.3023 38.5732 176.4346 137 S 4.9302 8.5020 114.5679 60.6398 62.8244 176.4083 138 K 4.1076 7.6055 121.3840 59.2755 32.0196 178.8708 139 F 4.5953 7.7593 117.6657 60.8185 38.9073 177.9488 140 Q 4.1729 8.3059 116.9547 59.1096 28.3114 178.2095 141 A 4.1336 7.8551 122.0374 55.2706 18.4104 179.1048 142 E 4.1722 8.1516 116.0590 58.2794 31.0382 177.5870 143 F 4.7494 8.2354 115.0767 55.6184 39.6301 174.9156 144 S 4.4902 7.6803 114.0905 57.3413 63.2468 174.6322 145 L 4.3375 8.4515 119.1355 55.6058 40.5204 176.7264 146 H 4.9831 9.2508 128.5378 53.9571 33.0665 174.8409 147 C 4.3670 8.9772 122.6668 59.8638 30.3117 170.7705 148 E 4.6543 7.0813 118.9292 56.3263 33.7341 176.1356 149 T 4.2956 8.3656 111.8267 63.5365 71.1522 174.8801 150 N 4.6842 8.1275 115.9993 52.9896 39.1500 174.3429 151 L 4.6112 7.9365 116.9110 55.1098 44.2129 176.7500 152 D 4.6515 7.8184 114.0822 54.0390 44.5324 177.1155 153 G 3.8254 7.0524 107.3830 46.7766 0.0000 173.5736 154 S 4.2869 8.7883 120.0168 57.9447 63.1882 173.5633 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 1 M 8.29 4.58 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 2 I 8.00 4.37 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 1.02 0.00 0.00 3 D 9.48 4.52 0.00 2.68 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 4 T 8.29 3.32 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 1.26 0.00 0.00 5 L 7.73 3.70 0.00 1.64 1.68 0.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.86 4.17 0.00 1.77 1.96 0.00 3.24 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 7 P 0.00 4.46 0.00 2.00 1.97 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 8 V 8.08 4.08 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 0.72 0.00 0.00 0.87 0.00 0.00 9 P 0.00 4.42 0.00 1.28 1.32 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 10 F 7.52 4.20 0.00 3.27 3.27 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 11 A 8.84 3.88 1.56 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 12 S 7.27 4.39 0.00 4.01 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 13 E 8.21 4.42 0.00 1.89 1.71 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 2.42 2.28 0.00 14 M 7.74 4.05 0.00 1.83 0.79 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.57 0.00 15 A 7.76 4.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.24 3.64 1.36 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.31 0.71 0.00 0.00 17 S 6.75 5.40 0.00 2.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.55 4.27 0.00 1.28 0.92 0.00 1.29 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.61 0.96 7.81 19 T 6.75 4.37 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 1.27 0.00 0.00 20 V 8.14 3.67 0.67 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 -0.42 0.00 0.00 0.44 0.00 0.00 21 A 6.68 4.25 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 22 W 8.75 4.99 0.00 3.59 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.82 0.00 2.04 1.80 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.68 4.43 0.00 2.87 2.88 0.00 0.00 6.92 7.68 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 25 E 8.44 3.97 0.00 2.17 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 2.44 2.51 0.00 26 Q 8.04 3.76 0.00 2.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.03 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 27 L 7.93 4.39 0.00 2.10 1.95 1.33 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.12 4.28 0.00 2.28 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 0.00 2.29 2.36 0.00 29 L 8.43 3.42 0.00 1.84 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.46 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 0.00 0.00 0.00 31 N 6.94 4.99 0.00 2.62 2.58 0.00 0.00 7.06 7.64 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 32 E 7.93 4.72 0.00 1.95 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 2.12 2.26 0.00 33 R 7.60 4.51 0.00 1.54 1.84 0.00 3.36 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 34 L 7.37 4.22 0.00 1.27 1.05 0.35 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.47 4.46 0.00 1.69 1.50 0.96 0.70 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 36 L 8.75 4.82 0.00 1.58 1.75 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 M 8.41 4.62 0.00 1.64 1.82 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 38 D 8.50 3.37 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 39 C 8.84 3.80 0.00 3.11 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 40 R 8.21 4.48 0.00 1.98 1.88 0.00 3.13 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.66 0.00 41 P 0.00 4.34 0.00 2.11 2.07 0.00 3.75 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 2.05 2.13 0.00 42 Q 7.74 4.64 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.71 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 43 E 8.19 4.71 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 44 L 7.75 3.92 0.00 1.61 1.69 0.91 0.76 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 45 Y 8.15 4.68 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.69 4.04 0.00 2.34 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 0.00 2.31 2.60 0.00 47 S 8.15 4.07 0.00 3.96 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 48 S 8.38 4.23 0.00 4.17 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.89 4.29 0.00 3.37 3.64 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.95 4.68 1.73 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.44 0.95 0.00 0.00 51 E 8.51 4.00 0.00 1.87 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 0.00 2.36 1.91 0.00 52 S 7.96 4.82 0.00 3.77 3.74 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 53 A 8.33 4.39 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 54 I 7.88 4.32 1.86 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.61 0.88 0.00 0.00 55 N 8.58 4.73 0.00 2.83 2.70 0.00 0.00 6.93 7.70 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 56 V 8.37 4.12 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 0.36 0.00 0.00 0.94 0.00 0.00 57 A 9.02 4.43 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 58 I 7.65 4.92 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.15 0.98 0.00 0.00 59 P 0.00 4.35 0.00 2.06 2.07 0.00 3.61 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 2.01 2.08 0.00 60 G 7.30 4.16 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 0.00 0.00 0.00 61 I 8.20 3.40 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 1.09 0.00 0.00 62 M 8.66 2.81 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 63 L 8.10 3.89 0.00 1.77 1.78 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.82 3.69 0.00 1.94 1.91 0.00 3.25 0.00 0.00 3.01 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 65 R 6.80 5.57 0.00 1.87 2.01 0.00 3.48 0.00 0.00 3.07 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 66 L 7.62 4.22 0.00 1.81 1.84 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 6.80 4.88 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 68 K 10.21 4.10 0.00 1.72 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.12 1.39 7.81 69 G 8.16 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 0.00 0.00 0.00 0.00 70 N 9.21 4.66 0.00 2.54 2.70 0.00 0.00 7.00 8.12 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 71 L 7.67 3.78 0.00 1.64 1.56 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.42 0.00 2.17 1.98 0.00 3.59 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 2.11 2.11 0.00 73 V 8.19 4.05 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 0.93 0.00 0.00 0.94 0.00 0.00 74 R 8.37 3.93 0.00 1.90 2.03 0.00 3.27 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 75 A 7.99 4.14 1.48 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 76 L 8.13 5.11 0.00 1.60 1.70 1.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 77 F 7.55 4.23 0.00 3.05 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 78 T 8.15 4.62 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 1.24 0.00 0.00 79 R 8.20 4.62 0.00 1.78 1.95 0.00 3.29 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 80 G 6.86 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.98 3.88 0.00 2.09 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 2.38 2.48 0.00 82 D 8.16 4.46 0.00 2.75 2.34 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 83 R 8.02 4.20 0.00 2.04 2.15 0.00 3.48 0.00 0.00 3.41 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.91 0.00 84 D 8.06 4.35 0.00 2.94 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 85 R 8.16 3.93 0.00 1.97 1.97 0.00 3.23 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 86 F 8.31 4.16 0.00 3.12 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 87 T 8.53 3.51 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 1.31 0.00 0.00 88 R 7.64 4.05 0.00 2.03 2.02 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 89 R 7.72 4.51 0.00 1.81 1.82 0.00 3.26 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 90 C 7.05 3.89 0.00 2.36 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 0.00 0.00 0.00 91 G 8.64 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 92 T 7.75 3.91 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 1.14 0.00 0.00 93 D 7.66 4.53 0.00 2.51 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 94 T 7.37 4.86 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 1.64 0.00 0.00 95 V 8.45 5.43 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 1.23 0.00 0.00 1.20 0.00 0.00 96 V 8.06 5.16 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 0.93 0.00 0.00 -0.08 0.00 0.00 97 L 8.76 5.22 0.00 1.55 1.69 0.97 0.55 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 98 Y 8.00 5.40 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.47 4.30 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.15 0.00 2.11 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 2.21 2.36 0.00 101 S 8.48 3.81 0.00 4.03 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 0.00 102 S 6.59 3.34 0.00 3.97 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 6.16 4.81 0.00 3.92 3.48 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 0.00 104 D 8.17 4.69 0.00 3.13 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 0.00 105 W 7.37 5.43 0.00 3.77 3.43 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 0.00 106 N 8.36 3.88 0.00 2.91 2.98 0.00 0.00 6.91 7.64 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 0.00 107 E 7.11 3.83 0.00 1.91 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 2.31 2.36 0.00 108 N 8.63 4.85 0.00 2.95 2.88 0.00 0.00 6.91 7.09 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 0.00 109 T 8.38 3.72 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 1.38 0.00 0.00 110 G 8.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.28 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 0.00 112 E 7.76 4.30 0.00 2.21 2.37 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 2.48 2.36 0.00 113 S 8.54 4.40 0.00 4.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.50 4.03 0.00 1.72 1.58 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.53 4.10 0.00 2.05 1.88 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.08 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 0.00 117 L 8.07 4.09 0.00 1.75 1.82 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.64 3.73 0.00 1.48 1.49 -0.56 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.22 3.84 0.00 1.84 1.61 1.00 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 0.00 120 K 7.84 3.80 0.00 2.02 1.86 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.77 7.81 121 K 8.26 3.96 0.00 1.89 1.95 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 122 L 7.54 4.15 0.00 1.88 1.77 0.56 0.75 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 0.00 123 K 8.39 4.83 0.00 1.83 1.80 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 124 D 8.16 4.36 0.00 2.90 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 0.00 125 E 7.99 4.17 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 126 G 7.28 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 0.00 127 C 7.57 4.70 0.00 3.34 2.92 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 0.00 128 R 8.93 3.81 0.00 1.87 2.32 0.00 3.42 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.74 0.00 129 A 8.63 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 0.00 130 F 7.60 4.75 0.00 2.87 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.54 5.94 0.00 2.93 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 0.00 132 L 8.37 4.32 0.00 1.72 1.81 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 133 E 9.06 4.77 0.00 2.48 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 0.00 2.38 2.60 0.00 134 G 7.41 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.48 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 0.00 136 F 8.54 3.55 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.50 4.93 0.00 4.04 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 0.00 138 K 7.61 4.11 0.00 1.46 1.95 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.47 7.81 139 F 7.76 4.60 0.00 3.31 3.18 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 0.00 140 Q 8.31 4.17 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 141 A 7.86 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.15 4.17 0.00 2.34 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 0.00 2.57 2.71 0.00 143 F 8.24 4.75 0.00 2.98 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 0.00 144 S 7.68 4.49 0.00 4.01 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 0.00 145 L 8.45 4.34 0.00 1.63 1.65 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.25 4.98 0.00 3.16 3.02 0.00 5.78 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 0.00 147 C 8.98 4.37 0.00 3.45 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 0.00 148 E 7.08 4.65 0.00 2.04 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 2.35 2.57 0.00 149 T 8.37 4.30 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 1.35 0.00 0.00 150 N 8.13 4.68 0.00 2.06 2.57 0.00 0.00 5.46 6.85 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 0.00 151 L 7.94 4.61 0.00 1.81 1.69 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.82 4.65 0.00 2.80 2.64 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 0.00 153 G 7.05 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 0.00 154 S 8.79 4.29 0.00 3.93 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