NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4226 8.3049 120.3487 55.0034 32.8844 175.1002 2 L 4.1014 8.3330 126.8807 54.0888 42.4139 176.1871 3 K 4.1707 9.4036 122.6568 58.2990 33.4935 176.8716 4 Q 4.8174 7.6728 116.6787 53.6240 31.1934 175.9146 5 V 3.9653 9.1218 124.2825 63.0181 33.0074 174.4767 6 E 4.9532 8.8892 126.6995 54.5673 32.6933 175.0557 7 I 5.1443 7.8990 123.5661 59.5474 41.5558 174.4194 8 F 5.7891 9.7026 124.1720 54.9781 42.9084 174.0755 9 T 5.3356 8.5711 110.9264 60.8935 72.0596 172.0849 10 D 4.8153 9.1908 120.9424 53.7445 45.2837 174.1103 11 G 4.6952 8.5422 108.3727 44.9172 0.0000 171.7816 12 S 4.9583 9.2274 116.2819 56.7748 66.5628 172.2041 13 C 5.1946 8.4404 123.0185 58.3952 34.1012 173.4870 14 L 4.4443 8.8343 124.8406 55.2493 42.1148 176.2099 15 G 4.0746 7.3844 106.1649 45.3040 0.0000 172.9438 16 N 5.0205 8.2195 115.2287 51.5019 38.6752 172.4376 17 P 4.6772 0.0000 0.0000 61.7571 33.9070 175.1428 18 G 4.0538 8.3998 106.4538 44.7977 0.0000 170.9010 19 P 4.8451 0.0000 0.0000 62.4749 32.6242 176.2781 20 G 4.5557 9.2668 109.8927 46.0033 0.0000 171.1372 21 G 4.6345 8.7813 106.2737 45.7373 0.0000 171.6047 22 Y 5.5451 8.3119 116.9810 55.2163 42.3219 174.6391 23 G 4.6810 9.4040 106.1433 44.7128 0.0000 171.5295 24 A 5.5162 9.7936 126.3536 50.2768 22.9466 174.5842 25 I 4.9499 9.2770 123.1479 59.4238 40.1761 174.4081 26 L 5.1705 9.4059 129.3263 53.3855 45.1378 175.1769 27 R 5.2831 9.3821 126.0627 54.0573 32.0720 174.1875 28 Y 5.1245 7.9929 124.4665 56.2356 42.8588 174.6259 29 R 3.7478 9.1275 125.8853 57.6048 28.2818 177.7938 30 G 3.9804 8.9243 115.2982 45.9809 0.0000 172.6701 31 R 4.3128 7.7166 119.7471 54.9152 31.6879 174.5686 32 E 4.9341 8.4160 118.7081 54.8593 31.8786 174.5754 33 K 4.5379 9.2962 127.5545 54.8847 34.7630 175.6407 34 T 5.0203 8.1067 120.4737 61.7531 71.0150 173.3950 35 F 5.0262 9.0148 125.0267 55.9588 42.3960 174.5568 36 S 4.8128 8.8497 113.6644 58.3122 65.3625 173.8085 37 A 4.4933 7.1454 126.9142 50.5743 22.7814 174.7943 38 G 4.4037 8.4240 106.3952 44.5663 0.0000 171.6899 39 Y 5.2399 9.3050 120.6849 55.8889 40.6441 176.9456 40 T 3.8675 8.6929 113.9597 64.5248 70.1358 173.6680 41 R 4.3763 7.8275 122.1889 55.5474 32.2412 173.4212 42 T 4.0720 8.9018 122.8329 61.4376 71.1217 171.9969 43 T 4.8561 8.0174 109.2962 59.0835 72.3810 174.1872 44 N 4.2166 8.6953 119.8340 57.0118 38.8161 176.5090 45 N 4.0463 7.9525 117.2208 56.4804 38.5072 177.4618 46 R 3.8704 7.6864 118.7632 59.4534 30.1436 179.0512 47 M 4.0834 8.0899 118.3252 57.7925 32.0003 178.1096 48 Q 4.3517 7.8022 116.9030 57.1459 29.2648 178.0381 49 L 3.9195 7.6044 120.5521 57.6381 41.6407 178.6246 50 M 3.7311 7.9715 117.9690 58.4988 31.8055 177.8468 51 A 3.4185 7.7423 120.4582 55.1432 18.5057 179.5376 52 A 3.9139 7.4602 118.1607 55.2765 18.4372 179.8672 53 I 3.5202 7.5698 118.2892 64.4935 36.9672 178.7915 54 V 3.2827 7.4239 117.5589 65.8548 31.4552 177.6380 55 A 3.6059 7.2767 120.1490 54.9309 18.2815 179.6646 56 L 3.7479 7.6759 117.5413 57.8729 41.5115 179.4801 57 E 4.0399 8.0448 116.7837 58.5460 29.3847 178.7030 58 A 4.1945 7.1807 120.3999 53.1746 18.7298 177.7040 59 L 3.5998 7.0617 118.1281 54.6205 41.9788 177.1139 60 K 4.4918 8.8686 122.2617 56.0663 32.7067 175.3980 61 E 4.7461 7.7088 115.8310 54.3595 32.8801 174.3320 62 H 4.6310 8.5087 116.4871 56.1135 29.4355 174.7921 63 C 4.9934 8.9043 118.9050 58.1142 33.4260 172.4878 64 E 4.9044 8.6201 119.1270 55.1822 30.7462 175.4689 65 V 4.7350 8.8444 125.3137 60.9008 35.0265 174.3841 66 I 4.5188 8.3068 126.9335 59.3829 40.0705 174.0457 67 L 4.6281 8.4659 130.0863 52.9569 44.5963 174.7550 68 S 5.4180 8.4553 121.3210 56.0324 64.8396 172.5292 69 T 5.1000 8.4893 120.1271 61.2726 70.7040 173.2452 70 D 5.4340 8.8534 124.2160 52.5350 40.4575 175.8932 71 S 4.2839 8.2639 116.4915 58.9467 63.1071 174.3650 72 Q 3.8812 8.7878 130.3765 58.9825 28.9710 177.1573 73 Y 4.1700 8.0168 120.4269 60.6877 38.9223 178.0495 74 V 3.6960 7.8711 118.9894 65.8348 31.5807 177.8146 75 R 2.5100 7.3093 117.9076 58.9592 29.6563 178.4814 76 Q 3.1992 7.5630 117.9967 58.3329 28.5019 178.8144 77 G 2.9171 6.8725 106.4480 47.6299 0.0000 175.6347 78 I 3.4968 7.3610 121.9977 63.8374 37.2546 178.2358 79 T 4.0784 7.3101 108.0977 62.7693 69.1210 175.4322 80 Q 4.2108 7.4411 118.2736 55.1641 31.6159 176.5820 81 W 3.9051 6.9614 116.0886 57.8149 30.3952 177.5920 82 I 3.2999 7.3580 118.7209 64.4667 37.0650 177.2326 83 H 3.8779 7.8023 118.1643 59.1987 29.7310 176.8944 84 N 4.2381 7.6994 117.6822 56.1402 38.3990 177.2762 85 W 4.2076 7.7777 120.4613 59.6460 28.8778 178.7823 86 K 3.2577 7.6060 118.3368 59.1935 31.2300 179.6393 87 K 4.0229 7.4814 117.9532 58.4636 31.8734 178.5422 88 R 4.5124 7.6919 115.0266 55.2458 29.4365 176.9139 89 G 4.0449 7.9925 105.9062 46.7111 0.0000 173.9860 90 W 3.4320 8.4742 116.8866 57.7417 26.8520 174.2526 91 K 4.9613 7.3571 115.7145 54.5063 35.3770 176.8041 92 T 4.2566 8.7364 112.0669 60.5417 69.9070 175.5612 93 A 3.9861 8.5129 124.2923 55.1313 18.3147 177.9780 94 D 4.6475 8.0161 113.0255 53.0068 39.5315 176.4692 95 K 3.8562 7.8855 116.5979 57.7477 30.1470 175.6312 96 K 4.5655 7.3798 117.6372 53.7226 34.3262 174.0320 97 P 4.7617 0.0000 0.0000 62.4761 31.7081 176.9592 98 V 3.4551 8.1738 123.5237 62.6091 32.6084 175.2359 99 K 3.9509 8.3390 127.7971 57.0468 33.0734 176.0124 100 N 4.4937 8.9635 122.1376 54.4436 36.2034 176.5904 101 V 3.5656 7.4639 121.6872 65.1034 30.7706 177.1900 102 D 4.2440 8.0789 119.0153 56.4436 38.8886 178.7513 103 L 3.9447 7.6904 119.7007 56.8963 41.8722 179.0038 104 W 4.4688 8.2639 119.1237 60.1727 29.1118 178.6379 105 Q 3.6363 8.0980 118.1159 58.6011 27.8896 178.7593 106 R 3.8050 7.5943 119.6279 59.2950 30.0935 178.3148 107 L 3.9698 8.5383 120.3867 58.2794 42.2577 178.1354 108 D 4.5594 8.6253 117.9645 57.7152 40.8984 178.3254 109 A 4.0747 7.9169 119.6968 55.1224 18.3649 179.2037 110 A 4.1198 7.9460 119.4772 55.1632 18.4247 179.9015 111 L 4.2498 8.4903 118.0874 57.7575 41.5079 179.6881 112 G 3.8103 8.0183 104.3227 46.9019 0.0000 174.6339 113 Q 4.4838 7.4630 116.8675 55.8012 29.4221 174.1751 114 H 5.0440 7.7414 116.0107 54.1911 33.8323 172.5303 115 Q 4.5487 9.0704 118.6721 54.7276 30.1568 175.1642 116 I 4.6301 8.3073 125.0107 59.0937 39.9448 175.0776 117 K 4.4209 8.2777 127.4163 54.3972 34.6529 174.6010 118 W 4.5802 8.6273 127.3090 55.0901 31.1310 175.6484 119 E 4.1970 8.8023 125.0757 54.0906 31.4855 175.0691 120 W 5.0798 8.4152 128.2315 56.2317 29.3397 176.7293 121 V 4.3033 8.5372 118.4939 60.0592 33.5441 175.8326 122 K 4.6283 8.4538 121.6205 55.0468 33.4117 178.1246 123 G 4.0254 9.0193 112.6133 46.9953 0.0000 173.9797 124 H 4.6531 8.1891 111.6484 55.6782 29.1330 174.7967 125 A 4.6249 7.9478 123.9856 51.9092 19.3075 176.5779 126 G 3.8657 8.0516 109.2411 46.3518 0.0000 173.5231 127 H 4.7378 8.6086 117.0500 53.9248 30.2625 175.1350 128 P 4.4023 0.0000 0.0000 66.1637 31.0251 178.9239 129 E 3.7722 7.7379 116.7633 59.1252 29.3501 178.9217 130 N 4.4782 7.9002 116.7342 56.3860 38.6162 177.2934 131 E 4.0138 8.0965 119.5571 59.4037 29.5425 179.2206 132 R 3.9423 7.9570 118.5575 59.4116 30.0935 178.4214 133 C 4.1998 8.0556 116.5243 62.6938 28.0581 175.4707 134 D 4.4015 8.0311 119.2369 57.4027 40.8611 177.8505 135 E 3.9282 8.2073 119.7463 59.2867 29.5523 178.7912 136 L 3.9379 8.2833 118.9971 57.6663 41.5745 179.2265 137 A 3.9959 8.5087 121.0106 55.3688 18.1298 179.8766 138 R 3.8662 8.1021 115.1751 59.3369 29.9682 178.8969 139 A 4.1034 8.0274 120.2947 55.2107 18.4869 179.6236 140 A 3.9534 8.2710 119.1947 55.1007 18.1639 179.7110 141 A 4.1053 7.6792 118.6481 55.0884 18.5106 178.9117 142 M 4.3141 7.4942 114.0205 55.8995 33.7380 176.2682 143 N 4.9820 7.6356 117.0655 51.3897 39.3408 172.0450 144 P 4.4611 0.0000 0.0000 62.8246 32.6472 177.1443 145 T 4.4652 8.2028 109.0527 60.6636 70.5994 173.3753 146 L 4.5421 7.6378 122.1080 52.7751 44.2039 174.4060 147 E 4.8132 8.4531 120.4190 54.5750 30.8308 175.1421 148 D 4.8326 8.6402 126.0528 53.1798 40.3814 176.5527 149 T 4.0488 8.4975 124.1002 66.1169 68.7602 176.1161 150 G 4.4155 7.7968 107.4604 45.1627 0.0000 173.1192 151 Y 4.3037 7.4563 120.8583 57.1971 39.2609 174.9094 152 Q 4.0778 6.9256 122.9151 54.7131 31.3962 175.8548 153 V 3.5145 7.8918 114.8086 63.4752 33.1031 176.6091 154 E 4.7304 6.7112 125.2473 54.9735 27.8975 177.2142 155 V 3.7375 8.6956 122.8334 62.9707 31.5788 175.5055 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 8.30 4.42 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 L 8.33 4.10 0.00 1.78 1.71 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.40 4.17 0.00 1.74 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.40 7.81 4 Q 7.67 4.82 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 5 V 9.12 3.97 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 0.84 0.00 0.00 0.97 0.00 0.00 6 E 8.89 4.95 0.00 1.99 1.45 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 2.10 2.21 0.00 7 I 7.90 5.14 1.60 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.82 0.00 0.00 8 F 9.70 5.79 0.00 2.93 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 9 T 8.57 5.34 4.34 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 1.28 0.00 0.00 10 D 9.19 4.82 0.00 2.87 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 11 G 8.54 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.23 4.96 0.00 3.88 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 13 C 8.44 5.19 0.00 2.98 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 14 L 8.83 4.44 0.00 1.66 1.68 0.92 0.81 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 15 G 7.38 4.07 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 0.00 0.00 0.00 16 N 8.22 5.02 0.00 2.66 2.68 0.00 0.00 6.85 7.69 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 17 P 0.00 4.68 0.00 1.65 1.51 0.00 3.89 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 1.95 2.18 0.00 18 G 8.40 4.05 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 0.00 0.00 0.00 19 P 0.00 4.85 0.00 2.14 1.98 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 20 G 9.27 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 21 G 8.78 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.31 5.55 0.00 3.26 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 23 G 9.40 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.79 5.52 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.28 4.95 2.10 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.91 1.02 0.00 0.00 26 L 9.41 5.17 0.00 1.91 1.83 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.38 5.28 0.00 1.84 1.93 0.00 3.20 0.00 0.00 3.34 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 28 Y 7.99 5.12 0.00 2.88 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 29 R 9.13 3.75 0.00 1.69 0.90 0.00 3.11 0.00 0.00 2.99 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.68 0.00 30 G 8.92 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 31 R 7.72 4.31 0.00 1.92 1.88 0.00 3.22 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 32 E 8.42 4.93 0.00 1.94 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 2.19 2.35 0.00 33 K 9.30 4.54 0.00 1.72 1.10 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.40 7.81 34 T 8.11 5.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 F 9.01 5.03 0.00 3.19 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 36 S 8.85 4.81 0.00 3.80 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 37 A 7.15 4.49 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.42 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.30 5.24 0.00 2.88 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 40 T 8.69 3.87 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 1.27 0.00 0.00 41 R 7.83 4.38 0.00 1.77 1.82 0.00 3.29 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 42 T 8.90 4.07 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 1.16 0.00 0.00 43 T 8.02 4.86 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 1.29 0.00 0.00 44 N 8.70 4.22 0.00 2.83 2.81 0.00 0.00 6.88 6.71 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 45 N 7.95 4.05 0.00 2.34 1.42 0.00 0.00 7.10 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 46 R 7.69 3.87 0.00 1.76 1.85 0.00 3.42 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 47 M 8.09 4.08 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.82 0.00 48 Q 7.80 4.35 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 49 L 7.60 3.92 0.00 1.64 1.43 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.97 3.73 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.49 0.00 51 A 7.74 3.42 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 52 A 7.46 3.91 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.57 3.52 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.83 0.00 0.00 54 V 7.42 3.28 1.69 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 0.43 0.00 0.00 0.73 0.00 0.00 55 A 7.28 3.61 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.68 3.75 0.00 1.62 1.64 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.04 4.04 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 58 A 7.18 4.19 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 59 L 7.06 3.60 0.00 1.57 1.31 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.87 4.49 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.56 7.81 61 E 7.71 4.75 0.00 2.03 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 2.26 2.32 0.00 62 H 8.51 4.63 0.00 3.06 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.90 4.99 0.00 2.73 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 64 E 8.62 4.90 0.00 1.88 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 2.29 2.27 0.00 65 V 8.84 4.74 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 0.64 0.00 0.00 0.70 0.00 0.00 66 I 8.31 4.52 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.54 0.72 0.00 0.00 67 L 8.47 4.63 0.00 0.90 0.47 0.63 0.74 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 68 S 8.46 5.42 0.00 3.75 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 69 T 8.49 5.10 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 1.65 0.00 0.00 70 D 8.85 5.43 0.00 3.02 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 71 S 8.26 4.28 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 72 Q 8.79 3.88 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 73 Y 8.02 4.17 0.00 3.22 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 74 V 7.87 3.70 2.24 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 1.10 0.00 0.00 1.04 0.00 0.00 75 R 7.31 2.51 0.00 0.67 1.31 0.00 2.50 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.56 3.20 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 77 G 6.87 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 0.00 0.00 0.00 78 I 7.36 3.50 1.51 0.00 0.00 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 1.56 -0.33 0.49 0.00 0.00 79 T 7.31 4.08 4.02 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 1.02 0.00 0.00 80 Q 7.44 4.21 0.00 1.31 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 81 W 6.96 3.91 0.00 1.78 1.74 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 82 I 7.36 3.30 1.75 0.00 0.00 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 1.47 1.42 0.89 0.00 0.00 83 H 7.80 3.88 0.00 3.09 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.70 4.24 0.00 2.59 2.71 0.00 0.00 7.11 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 85 W 7.78 4.21 0.00 2.83 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 0.00 0.00 0.00 86 K 7.61 3.26 0.00 1.69 1.69 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 0.93 7.81 87 K 7.48 4.02 0.00 1.80 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.52 7.81 88 R 7.69 4.51 0.00 2.04 2.11 0.00 2.97 0.00 0.00 3.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 89 G 7.99 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 90 W 8.47 3.43 0.00 3.52 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 91 K 7.36 4.96 0.00 1.89 1.65 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.34 7.81 92 T 8.74 4.26 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 1.10 0.00 0.00 93 A 8.51 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.02 4.65 0.00 2.78 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 95 K 7.89 3.86 0.00 1.95 1.95 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.53 7.81 96 K 7.38 4.57 0.00 1.74 1.66 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.35 7.81 97 P 0.00 4.76 0.00 1.87 1.94 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 98 V 8.17 3.46 1.05 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 -0.11 0.00 0.00 -0.11 0.00 0.00 99 K 8.34 3.95 0.00 1.79 1.74 0.00 2.06 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 100 N 8.96 4.49 0.00 3.30 2.97 0.00 0.00 6.82 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 0.00 101 V 7.46 3.57 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 0.84 0.00 0.00 0.65 0.00 0.00 102 D 8.08 4.24 0.00 2.82 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 0.00 103 L 7.69 3.94 0.00 1.63 1.53 0.81 0.87 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 0.00 104 W 8.26 4.47 0.00 3.46 3.66 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 0.00 105 Q 8.10 3.64 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 106 R 7.59 3.80 0.00 1.94 1.99 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 107 L 8.54 3.97 0.00 1.77 1.99 1.03 1.37 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 0.00 108 D 8.63 4.56 0.00 3.26 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 0.00 109 A 7.92 4.07 1.40 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 0.00 0.00 0.00 0.00 0.00 110 A 7.95 4.12 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 0.00 111 L 8.49 4.25 0.00 2.04 1.90 1.34 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.02 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 0.00 0.00 0.00 113 Q 7.46 4.48 0.00 1.75 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 114 H 7.74 5.04 0.00 2.96 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.07 4.55 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 116 I 8.31 4.63 1.72 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 1.16 0.85 -0.17 0.00 0.00 117 K 8.28 4.42 0.00 1.69 1.63 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.29 7.81 118 W 8.63 4.58 0.00 2.68 1.74 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 0.00 119 E 8.80 4.20 0.00 1.79 1.67 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 2.16 2.21 0.00 120 W 8.42 5.08 0.00 3.24 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 0.00 121 V 8.54 4.30 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 0.85 0.00 0.00 1.02 0.00 0.00 122 K 8.45 4.63 0.00 1.69 1.73 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.41 7.81 123 G 9.02 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 0.00 124 H 8.19 4.65 0.00 3.31 3.44 0.00 5.48 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.95 4.62 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.05 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 0.00 0.00 0.00 127 H 8.61 4.74 0.00 3.17 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.40 0.00 2.05 2.06 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 129 E 7.74 3.77 0.00 1.16 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 0.00 0.00 0.00 1.47 2.02 0.00 130 N 7.90 4.48 0.00 2.93 2.96 0.00 0.00 6.96 8.21 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 0.00 131 E 8.10 4.01 0.00 2.16 2.00 0.00 0.00 0.00 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 2.53 0.00 132 R 7.96 3.94 0.00 1.87 2.01 0.00 3.07 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 133 C 8.06 4.20 0.00 3.34 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 0.00 134 D 8.03 4.40 0.00 3.12 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 0.00 135 E 8.21 3.93 0.00 2.10 2.21 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 2.31 2.36 0.00 136 L 8.28 3.94 0.00 1.93 1.70 0.96 0.97 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 0.00 137 A 8.51 4.00 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 0.00 138 R 8.10 3.87 0.00 1.79 2.02 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 139 A 8.03 4.10 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 0.00 140 A 8.27 3.95 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 0.00 141 A 7.68 4.11 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 0.00 142 M 7.49 4.31 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 143 N 7.64 4.98 0.00 2.62 2.63 0.00 0.00 7.17 7.61 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 0.00 144 P 0.00 4.46 0.00 2.26 2.11 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 145 T 8.20 4.47 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 1.20 0.00 0.00 146 L 7.64 4.54 0.00 0.71 1.28 0.59 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.45 4.81 0.00 1.94 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 2.28 2.33 0.00 148 D 8.64 4.83 0.00 2.66 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 0.00 149 T 8.50 4.05 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 150 G 7.80 4.42 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 0.00 151 Y 7.46 4.30 0.00 3.14 3.04 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 0.00 152 Q 6.93 4.08 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 153 V 7.89 3.51 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 0.86 0.00 0.00 0.89 0.00 0.00 154 E 6.71 4.73 0.00 1.66 1.12 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 2.28 2.26 0.00 155 V 8.70 3.74 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 0.61 0.00 0.00 0.89 0.00 0.00