NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1047 8.0549 120.3917 62.4292 32.4035 175.1864 2 L 3.9712 8.2682 127.5757 52.5866 42.2910 176.0262 3 S 4.5855 9.1434 118.1515 57.3949 66.5242 174.8168 4 E 4.2607 8.7718 121.8390 59.4051 29.3021 178.7493 5 G 3.6485 8.1089 105.3124 47.8879 0.0000 175.3378 6 E 3.9090 8.1260 121.0457 58.9710 29.3834 179.5096 7 W 4.4533 8.2484 119.0298 59.8597 29.0659 178.3870 8 Q 4.0830 8.6115 119.8494 59.1223 28.4325 178.2573 9 L 4.0693 8.0369 120.1682 57.6283 41.6455 179.5743 10 V 3.7397 8.0605 118.1869 66.3209 31.5657 178.1896 11 L 4.3291 8.4726 118.5112 57.4915 41.2221 179.0286 12 H 4.1733 8.3324 118.3421 59.2949 30.3176 177.4462 13 V 3.7823 7.8967 120.6522 64.3912 31.4551 178.1421 14 W 3.9192 8.4376 128.9652 60.0575 30.2728 177.7933 15 A 4.0408 8.1154 120.3568 54.9869 17.8735 179.4533 16 K 3.9133 7.6828 116.7679 59.3473 32.0133 179.7374 17 V 2.8330 6.9785 118.1938 65.4857 31.0777 177.4063 18 E 3.8246 7.3636 117.2274 58.6278 29.4162 178.2868 19 A 4.1714 7.3572 120.0448 54.1835 19.6469 177.5627 20 D 4.6666 7.8622 116.4493 52.2246 42.4511 175.6187 21 V 3.5190 7.7859 122.8898 65.5794 32.1066 176.7757 22 A 4.0372 7.9653 120.2068 55.1856 18.3494 179.7005 23 G 3.5854 8.4449 105.7710 47.6601 0.0000 175.6826 24 H 4.1516 8.2173 118.6772 58.4631 28.6127 178.1436 25 G 3.5292 8.2876 107.8065 47.7665 0.0000 175.5393 26 Q 3.8174 8.0362 122.1315 58.9353 29.0501 178.0364 27 D 4.2566 7.9229 119.8627 57.3379 40.7457 178.9433 28 I 3.6307 7.8670 120.3739 64.4287 37.1302 178.5781 29 L 3.3888 7.8397 119.9598 57.5100 41.2108 179.6898 30 I 3.6558 7.6567 119.9490 64.2101 36.9227 178.4612 31 R 3.7844 7.9904 119.6577 59.1691 29.9315 178.2473 32 L 3.9426 7.9654 120.4260 58.3426 41.5967 179.0606 33 F 4.5841 8.2064 118.0738 60.5475 38.5689 177.9702 34 K 4.0429 8.1920 117.5168 59.6602 32.0216 179.4571 35 S 4.2820 8.1331 114.4442 60.2925 64.0124 174.4622 36 H 4.6482 8.0510 118.3241 51.8205 29.3025 171.6933 37 P 4.4295 0.0000 0.0000 64.5355 31.5248 177.4461 38 E 4.0692 8.2149 116.0988 59.3313 29.3699 179.2091 39 T 4.0358 8.1897 111.6182 64.6946 68.8669 176.4028 40 L 3.6039 7.8612 123.2405 57.6579 41.7895 178.5004 41 E 4.0016 7.7109 117.5568 58.8105 29.6066 178.3070 42 K 4.4722 8.0472 116.7666 56.8096 32.6602 177.3335 43 F 4.6902 8.2050 119.4583 55.6148 38.3008 175.7676 44 D 4.3646 8.4909 125.1065 57.0328 41.1149 179.3096 45 R 3.9831 7.9550 118.3223 58.3827 30.1832 176.6389 46 F 5.0687 7.4252 111.9794 56.5799 40.5743 176.5721 47 K 4.0756 8.3420 120.5029 58.8653 32.3291 177.6971 48 H 4.4011 8.0864 114.4969 57.2658 29.0090 175.3499 49 L 4.1677 7.6901 121.8140 54.4210 41.7625 176.6794 50 K 4.4547 9.3701 123.1137 56.3180 34.3984 176.5430 51 T 4.7334 7.5217 108.0231 58.9774 73.2227 174.2791 52 E 3.9316 8.5903 121.0324 59.1841 29.7249 178.5591 53 A 3.9989 7.9406 120.5028 55.1712 18.2812 179.2680 54 E 3.9165 8.0247 115.9252 59.7966 29.9470 179.1740 55 M 4.1696 8.0878 118.6210 58.4804 31.8544 179.0911 56 K 4.0034 8.4334 117.2014 58.8505 32.2367 178.5798 57 A 4.4006 7.5977 119.4384 52.2231 19.1773 177.2791 58 S 4.2125 7.4173 113.3258 57.9922 62.7881 174.5012 59 E 4.0489 8.8786 129.0367 59.1914 29.5254 177.9478 60 D 4.4215 8.1725 117.9027 57.0333 41.2789 177.8242 61 L 3.4595 8.0802 121.1355 57.8077 42.1877 178.8070 62 K 3.8489 7.8709 119.1523 59.3451 32.2012 178.6140 63 K 3.9794 8.3043 120.1530 59.8761 32.1351 178.3318 64 H 4.4838 8.7140 118.7261 59.0817 29.7551 177.3335 65 G 3.6916 8.4520 108.1044 47.8650 0.0000 175.8373 66 V 3.6222 7.7839 120.0897 65.9172 31.5584 178.2507 67 T 3.8774 7.7693 115.3532 66.6059 68.3433 176.6994 68 V 3.5855 8.1290 120.3779 66.1978 31.5862 178.1794 69 L 4.2849 8.2233 118.7169 57.9393 41.3901 179.7063 70 T 4.0063 8.2680 115.9312 66.4669 68.5151 176.6561 71 A 3.9859 8.0097 122.7159 55.0936 18.3769 179.4942 72 L 3.7464 8.1074 119.0540 58.0551 42.1154 179.4031 73 G 3.1956 8.5561 105.9631 47.5892 0.0000 175.5508 74 A 3.9994 7.7679 122.2390 54.7503 18.6341 179.6784 75 I 3.7722 7.4231 117.9933 64.6244 37.2487 178.4393 76 L 3.9675 7.8446 120.1192 57.9088 41.2272 179.6726 77 K 3.9758 7.7697 116.3268 58.1980 32.2415 178.6147 78 K 3.9607 7.8768 118.3226 55.7282 32.9000 176.3552 79 K 2.0000 8.2740 118.4939 56.3978 29.7806 174.7910 80 G 4.0719 7.9340 105.6888 45.8719 0.0000 173.5638 81 H 4.8360 7.8484 118.1777 54.7777 27.6041 175.5054 82 H 5.5749 7.2094 112.8846 54.7663 29.5259 175.7842 83 E 3.9592 8.3454 122.6364 60.5960 29.0757 179.1384 84 A 4.0250 7.9265 118.2312 55.0593 17.2044 178.9992 85 E 4.1236 8.1254 116.8439 59.2956 29.6932 178.9141 86 L 4.3154 8.3083 120.6339 57.6129 42.0999 178.9691 87 K 3.9162 7.9485 118.3776 59.1820 32.0531 177.3736 88 P 4.2691 0.0000 0.0000 65.3298 31.2123 178.4114 89 L 3.9972 7.4867 118.2886 58.2040 41.9912 178.9035 90 A 4.1369 8.3412 120.9866 55.2592 18.3539 179.4974 91 Q 3.8202 8.1024 116.7554 59.2103 28.8465 179.4689 92 S 4.0034 8.1945 115.1922 61.7846 63.0484 176.2178 93 H 4.2185 8.6765 119.9292 58.0901 28.1056 177.7553 94 A 2.9001 7.8683 123.2325 54.8110 17.9584 179.5428 95 T 3.8430 6.9549 107.4348 62.1057 69.3762 175.6316 96 K 4.1454 7.3192 120.7486 58.3669 33.1158 176.9551 97 H 4.3091 8.2040 114.2555 56.0287 29.5390 175.5230 98 K 3.7990 7.4811 116.6007 56.2153 28.7271 175.6414 99 I 4.1752 8.3700 118.8001 58.8276 38.4707 175.1359 100 P 4.6035 0.0000 0.0000 62.2937 32.0208 177.7671 101 I 3.4786 8.6339 122.3284 64.2575 36.8329 178.7857 102 K 3.6836 7.8815 120.1531 59.6681 31.9573 178.2453 103 Y 4.0684 7.9239 116.9228 60.7415 37.7292 178.2160 104 L 4.1922 7.7638 119.8428 57.5299 41.7857 178.8334 105 E 3.9673 7.9738 119.4602 59.1674 29.5702 178.7832 106 F 4.4797 7.8148 117.8432 60.9089 38.9908 177.6014 107 I 3.8511 8.1496 118.0270 63.9811 37.6452 178.0865 108 S 4.1958 8.2682 116.3507 61.7317 62.6896 176.4993 109 E 4.0434 8.5495 121.0271 59.3269 29.0949 179.3242 110 A 4.0527 8.1565 120.9957 54.9833 18.3194 179.7861 111 I 3.6655 8.2469 118.7728 64.7504 37.2970 178.7159 112 I 3.8334 8.0802 120.7907 64.5596 36.8750 178.0377 113 H 4.1223 8.4839 119.0877 59.4256 29.8176 177.5714 114 V 3.5449 8.0427 120.1654 65.9436 31.3173 177.9779 115 L 3.7894 8.0876 119.1877 57.7484 41.0300 178.9633 116 H 4.4124 7.8333 117.5424 59.3624 29.9275 177.2591 117 S 4.1945 8.0502 116.2600 61.0799 62.7452 176.0447 118 R 4.2197 7.6956 118.4474 56.6696 31.4294 176.2489 119 H 5.0075 8.0887 116.7636 53.3955 30.2387 172.8517 120 P 4.2092 0.0000 0.0000 66.0554 31.2768 179.1619 121 G 3.6913 8.1719 106.1484 47.3764 0.0000 173.6318 122 D 5.0412 8.1734 117.7444 53.9336 41.8057 176.1521 123 F 4.9454 7.9975 119.7669 56.6034 39.5298 174.4921 124 G 3.8961 7.7888 108.3394 43.9145 0.0000 172.5307 125 A 3.8840 8.4785 120.9356 55.1689 18.1601 179.5375 126 D 4.1813 7.9479 116.9537 56.5758 39.5496 178.6099 127 A 3.9283 7.7089 121.7862 54.7035 18.4272 179.3788 128 Q 3.1849 7.6652 116.8557 58.7719 28.6796 179.3801 129 G 3.5171 8.0644 106.4916 47.6618 0.0000 175.5978 130 A 3.8355 7.9179 123.3166 55.0285 18.3329 179.4240 131 M 4.0325 8.4635 117.1941 58.7706 32.2803 177.8632 132 N 4.3205 8.5959 117.6682 56.6812 39.0174 176.9584 133 K 3.8713 8.2492 119.7741 59.3083 32.0903 179.1815 134 A 3.8319 7.9544 120.9920 55.2117 18.3219 179.7689 135 L 4.0732 8.3038 117.8433 57.8797 41.5675 179.6239 136 E 4.0080 8.4578 118.9864 59.1440 29.2987 179.0287 137 L 3.9649 8.2831 120.7686 58.0718 42.1271 178.6377 138 F 4.1204 8.2714 120.5402 61.6405 39.3076 177.3863 139 R 3.4896 8.2065 117.5047 58.7521 29.8801 178.9586 140 K 3.8202 8.2873 119.8114 59.7280 32.0769 178.6878 141 D 4.3516 8.3382 119.4662 57.2949 40.6246 178.8542 142 I 3.5219 7.6189 120.2663 64.2275 36.9378 178.2793 143 A 3.6606 8.1634 121.7482 55.0011 18.0880 179.5864 144 A 3.9476 7.8175 118.8530 55.2494 18.4710 180.0787 145 K 4.0251 7.7974 117.0904 59.5750 32.0524 179.2121 146 Y 4.0563 8.5076 117.4696 60.9969 37.8674 178.4331 147 K 3.9180 8.4726 120.8167 59.5941 32.0429 178.0136 148 E 3.9572 7.9406 118.0837 59.5419 29.6731 178.4863 149 L 4.3562 7.7664 115.5998 55.5265 41.7945 177.8504 150 G 3.8011 8.2237 107.3597 45.8271 0.0000 173.5296 151 Y 4.4449 8.5001 114.9866 56.9812 38.5789 174.2267 152 Q 4.1422 8.3297 121.8451 60.0901 28.9814 177.1159 153 G 3.8083 9.1663 113.5179 45.5371 0.0000 172.4879 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 V 8.05 4.10 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 1.07 0.00 0.00 0.96 0.00 0.00 2 L 8.27 3.97 0.00 0.68 0.60 0.51 -0.67 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 3 S 9.14 4.59 0.00 4.02 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 4 E 8.77 4.26 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 2.43 2.51 0.00 5 G 8.11 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.13 3.91 0.00 2.01 1.73 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 2.22 2.26 0.00 7 W 8.25 4.45 0.00 3.56 3.15 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 8 Q 8.61 4.08 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 8.04 4.07 0.00 1.97 1.74 0.94 0.83 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 10 V 8.06 3.74 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 1.25 0.00 0.00 0.89 0.00 0.00 11 L 8.47 4.33 0.00 1.85 1.81 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.33 4.17 0.00 3.33 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.90 3.78 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 1.04 0.00 0.00 0.84 0.00 0.00 14 W 8.44 3.92 0.00 3.66 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 15 A 8.12 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.68 3.91 0.00 1.50 1.49 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.44 7.81 17 V 6.98 2.83 0.70 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 -0.09 0.00 0.00 0.12 0.00 0.00 18 E 7.36 3.82 0.00 1.96 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 2.31 2.33 0.00 19 A 7.36 4.17 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 20 D 7.86 4.67 0.00 2.70 2.48 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 21 V 7.79 3.52 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 1.06 0.00 0.00 0.89 0.00 0.00 22 A 7.97 4.04 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 23 G 8.44 3.59 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 0.00 0.00 0.00 24 H 8.22 4.15 0.00 3.27 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.29 3.53 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 26 Q 8.04 3.82 0.00 2.07 2.02 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 2.25 2.28 0.00 27 D 7.92 4.26 0.00 2.80 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 28 I 7.87 3.63 1.97 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 1.50 0.77 0.88 0.00 0.00 29 L 7.84 3.39 0.00 1.24 0.71 0.71 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.66 3.66 1.84 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 1.37 0.71 0.88 0.00 0.00 31 R 7.99 3.78 0.00 1.89 2.11 0.00 3.06 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 L 7.97 3.94 0.00 1.76 1.47 1.09 1.15 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 33 F 8.21 4.58 0.00 3.11 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 34 K 8.19 4.04 0.00 1.68 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.58 7.81 35 S 8.13 4.28 0.00 3.71 3.56 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 36 H 8.05 4.65 0.00 3.01 2.76 0.00 5.64 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 37 P 0.00 4.43 0.00 2.14 2.11 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 38 E 8.21 4.07 0.00 2.31 2.28 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 1.99 2.39 0.00 39 T 8.19 4.04 4.57 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 0.00 0.00 0.00 1.02 0.00 0.00 40 L 7.86 3.60 0.00 1.28 1.73 -0.06 0.63 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 41 E 7.71 4.00 0.00 2.17 2.15 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 2.37 2.45 0.00 42 K 8.05 4.47 0.00 1.97 1.70 0.00 2.00 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.76 1.94 7.81 43 F 8.20 4.69 0.00 3.31 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.49 4.36 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 45 R 7.96 3.98 0.00 1.46 1.03 0.00 2.97 0.00 0.00 2.81 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.30 0.00 46 F 7.43 5.07 0.00 2.85 2.68 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 47 K 8.34 4.08 0.00 1.86 2.17 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.32 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.41 7.81 48 H 8.09 4.40 0.00 3.30 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.69 4.17 0.00 1.60 1.58 0.90 0.75 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 50 K 9.37 4.45 0.00 1.76 1.81 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.51 7.81 51 T 7.52 4.73 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 1.20 0.00 0.00 52 E 8.59 3.93 0.00 2.04 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 2.35 2.35 0.00 53 A 7.94 4.00 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 54 E 8.02 3.92 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 55 M 8.09 4.17 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 56 K 8.43 4.00 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 57 A 7.60 4.40 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 58 S 7.42 4.21 0.00 3.94 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 59 E 8.88 4.05 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 60 D 8.17 4.42 0.00 2.95 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 61 L 8.08 3.46 0.00 1.43 1.65 0.02 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.87 3.85 0.00 1.85 1.98 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.30 3.98 0.00 1.98 2.10 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.71 4.48 0.00 3.69 3.61 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.45 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 66 V 7.78 3.62 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 1.04 0.00 0.00 0.99 0.00 0.00 67 T 7.77 3.88 4.41 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 1.27 0.00 0.00 68 V 8.13 3.59 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 1.08 0.00 0.00 0.99 0.00 0.00 69 L 8.22 4.28 0.00 1.80 1.90 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.27 4.01 4.46 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 1.26 0.00 0.00 71 A 8.01 3.99 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 72 L 8.11 3.75 0.00 1.58 1.70 0.26 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.56 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 0.00 0.00 0.00 74 A 7.77 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.42 3.77 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 0.94 0.00 0.00 76 L 7.84 3.97 0.00 1.29 1.55 -0.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.77 3.98 0.00 1.70 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.46 7.81 78 K 7.88 3.96 0.00 1.90 1.79 0.00 1.89 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.76 7.81 79 K 8.27 2.00 0.00 1.16 0.74 0.00 1.44 0.00 0.00 1.36 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.34 0.85 7.81 80 G 7.93 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 81 H 7.85 4.84 0.00 3.15 3.24 0.00 5.60 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 82 H 7.21 5.57 0.00 3.35 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.35 3.96 0.00 2.08 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 2.41 2.48 0.00 84 A 7.93 4.02 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 85 E 8.13 4.12 0.00 2.24 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 0.00 2.40 2.43 0.00 86 L 8.31 4.32 0.00 1.97 1.67 0.76 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.95 3.92 0.00 2.01 1.86 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 88 P 0.00 4.27 0.00 2.19 2.12 0.00 3.75 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 2.13 2.16 0.00 89 L 7.49 4.00 0.00 1.88 1.88 0.93 1.31 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 90 A 8.34 4.14 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 91 Q 8.10 3.82 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 92 S 8.19 4.00 0.00 3.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.68 4.22 0.00 3.48 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.87 2.90 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 6.95 3.84 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 0.99 0.00 0.00 96 K 7.32 4.15 0.00 1.55 1.72 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.20 4.31 0.00 2.96 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.48 3.80 0.00 1.85 1.82 0.00 1.87 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.36 7.81 99 I 8.37 4.18 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 1.09 0.00 0.00 100 P 0.00 4.60 0.00 1.59 1.76 0.00 2.21 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 1.35 1.83 0.00 101 I 8.63 3.48 1.71 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.70 0.00 0.00 102 K 7.88 3.68 0.00 1.74 1.70 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 0.58 7.81 103 Y 7.92 4.07 0.00 3.17 3.10 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 0.00 104 L 7.76 4.19 0.00 1.79 1.84 0.63 1.03 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 0.00 105 E 7.97 3.97 0.00 1.97 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 2.38 2.38 0.00 106 F 7.81 4.48 0.00 3.23 2.82 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 0.00 107 I 8.15 3.85 2.02 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 1.57 1.54 1.07 0.00 0.00 108 S 8.27 4.20 0.00 4.20 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 0.00 109 E 8.55 4.04 0.00 2.24 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 2.71 2.60 0.00 110 A 8.16 4.05 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 0.00 111 I 8.25 3.67 2.13 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 1.60 0.90 1.05 0.00 0.00 112 I 8.08 3.83 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.10 1.18 0.00 0.00 113 H 8.48 4.12 0.00 3.41 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.04 3.54 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 0.89 0.00 0.00 0.97 0.00 0.00 115 L 8.09 3.79 0.00 0.83 0.39 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.83 4.41 0.00 3.62 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.05 4.19 0.00 3.90 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 0.00 118 R 7.70 4.22 0.00 1.38 1.61 0.00 3.12 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 119 H 8.09 5.01 0.00 3.19 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.21 0.00 2.19 2.25 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 121 G 8.17 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 0.00 122 D 8.17 5.04 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.00 4.95 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.79 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 0.00 0.00 0.00 125 A 8.48 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.95 4.18 0.00 2.83 2.89 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 0.00 127 A 7.71 3.93 1.25 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 0.00 0.00 0.00 128 Q 7.67 3.18 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 129 G 8.06 3.52 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 0.00 130 A 7.92 3.84 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 0.00 131 M 8.46 4.03 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 132 N 8.60 4.32 0.00 2.92 2.92 0.00 0.00 7.24 6.81 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 0.00 133 K 8.25 3.87 0.00 1.84 1.65 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 7.95 3.83 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 0.00 135 L 8.30 4.07 0.00 1.74 1.81 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.46 4.01 0.00 2.17 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 2.34 2.58 0.00 137 L 8.28 3.96 0.00 1.87 2.00 1.00 1.32 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 0.00 138 F 8.27 4.12 0.00 3.13 3.23 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 0.00 139 R 8.21 3.49 0.00 2.01 1.84 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 140 K 8.29 3.82 0.00 1.83 2.04 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.34 4.35 0.00 2.82 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 0.00 142 I 7.62 3.52 1.46 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.23 0.34 0.00 0.00 143 A 8.16 3.66 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 0.00 144 A 7.82 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.80 4.03 0.00 2.05 1.94 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.51 4.06 0.00 3.09 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 0.00 147 K 8.47 3.92 0.00 1.92 2.00 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.94 3.96 0.00 2.04 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 2.35 2.39 0.00 149 L 7.77 4.36 0.00 1.99 1.98 0.82 1.06 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 0.00 150 G 8.22 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 0.00 151 Y 8.50 4.44 0.00 2.73 2.79 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 0.00 0.00 0.00 152 Q 8.33 4.14 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 153 G 9.17 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