NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4115 8.2893 120.3486 55.3668 33.0743 174.7339 2 N 4.6606 8.5811 124.0447 51.4702 38.9272 172.9986 3 I 4.5962 8.7862 121.0330 59.6020 41.9511 176.3257 4 I 4.3612 8.3274 123.8938 59.6432 38.4248 175.1293 5 K 4.4468 8.5972 124.8423 54.3889 34.0164 176.2768 6 A 4.5769 8.3827 126.4023 50.7739 21.2576 175.0401 7 N 5.0785 8.1707 116.7035 51.9032 41.5592 175.6517 8 V 3.8801 8.2123 114.7694 62.9289 32.2728 176.8821 9 A 4.2436 8.0574 123.5184 52.1693 18.6701 177.8804 10 A 4.6100 8.2042 121.6087 51.2607 21.5313 174.1011 11 P 4.6883 0.0000 0.0000 64.8414 32.1719 178.8575 12 D 4.7504 8.0761 115.6669 54.3067 40.5197 175.7726 13 A 4.6436 7.6091 124.6749 51.8017 20.2891 178.2718 14 R 4.8254 9.5724 120.5380 55.0969 32.7912 175.8618 15 V 4.9439 8.8559 124.2595 60.0130 34.8013 173.9646 16 A 4.8948 8.4602 128.3659 50.0746 21.6244 175.2312 17 I 4.7947 8.7456 123.2778 59.5560 39.5498 174.6575 18 T 4.8562 8.5782 117.6971 59.9631 70.8201 173.4888 19 I 5.1924 8.3450 126.1255 58.2195 40.7949 174.3511 20 A 5.0736 8.4099 127.4928 51.1612 19.3607 177.9491 21 R 4.4546 9.3042 119.5668 58.4425 30.2689 176.9692 22 F 4.6016 8.2462 121.4633 59.8532 39.7132 174.3001 23 N 4.6613 9.8810 124.0263 54.5928 35.5625 176.1816 24 Q 4.1887 8.2740 120.1994 59.3785 28.0882 177.7941 25 F 3.8828 8.5003 121.6132 61.1627 39.4239 176.3681 26 I 4.2036 8.2053 118.5546 63.7150 37.7675 177.8089 27 N 4.3837 8.2552 116.6427 56.2124 38.2943 176.9263 28 D 4.5781 8.7604 120.9188 57.6551 41.0116 178.7899 29 S 4.0703 7.9802 112.9228 61.0930 62.3628 175.4494 30 L 4.0551 7.8132 123.2127 58.7736 41.6667 178.2748 31 L 3.8961 8.3805 120.5121 57.4283 41.9467 178.7166 32 D 4.4976 8.5431 118.5020 57.2521 40.9630 179.8058 33 G 3.5805 8.1433 105.8748 47.8202 0.0000 175.1902 34 A 3.9325 7.8729 123.4023 54.7587 18.4211 179.2838 35 V 3.4419 7.8873 116.2853 66.3268 31.5315 177.4015 36 D 4.3111 8.1596 117.0956 57.6056 40.9662 177.8703 37 A 3.9558 8.2730 121.1607 55.7000 18.3411 179.0190 38 L 3.8749 8.4333 116.9639 59.2403 41.8247 179.8143 39 T 4.1889 8.1863 110.8587 64.1334 68.6114 176.3320 40 R 3.8738 8.3007 123.7806 58.2298 30.6709 177.9888 41 I 4.0827 7.9666 117.1878 63.5169 37.8483 177.1290 42 G 3.7304 7.9440 106.5374 45.2879 0.0000 173.9591 43 Q 3.8122 8.3932 119.8440 56.4635 28.0771 172.8598 44 V 3.8204 7.5318 116.9819 62.0424 32.2068 175.2146 45 K 4.2546 8.5863 128.9102 56.3337 32.5236 176.5589 46 D 4.7461 8.8047 124.5686 53.9507 39.1103 176.2308 47 D 4.7911 7.9885 117.1350 53.7990 40.2439 176.3107 48 N 4.7161 8.5821 117.7377 53.6653 39.3706 174.1138 49 I 4.9651 7.5870 120.2280 60.3139 38.3921 175.2249 50 T 4.7394 8.8630 117.1985 59.7159 72.0383 172.9912 51 V 4.6177 8.3858 123.1530 61.0625 34.2859 174.5201 52 V 4.3233 9.0823 128.7955 60.8380 33.8621 174.3889 53 W 4.9515 8.9879 128.9562 56.3563 29.6304 176.4294 54 V 4.3852 8.6835 119.1686 59.0157 33.7256 174.7285 55 P 4.3222 0.0000 0.0000 65.0847 31.3450 176.9182 56 G 4.5250 7.9658 108.2938 42.7107 0.0000 174.0579 57 A 4.0843 8.4870 120.6856 54.8992 18.0822 179.2204 58 Y 4.2020 8.2088 117.0912 60.7259 39.1721 177.4825 59 E 4.1535 8.2285 118.4724 57.6656 29.6819 178.4061 60 L 3.8934 7.5475 119.8511 58.1485 41.6220 177.0357 61 P 4.1578 0.0000 0.0000 65.0246 31.1630 177.9063 62 L 3.8740 7.7543 117.8465 58.4874 42.2430 179.3226 63 A 3.9787 7.8271 120.1237 55.5983 18.3361 179.8404 64 T 3.8387 8.1419 108.3777 64.5056 68.7245 176.1989 65 E 3.8405 9.0176 122.9809 59.1725 29.6179 178.2500 66 A 4.0077 7.9705 120.5609 55.6320 18.1958 179.5387 67 L 4.0719 7.5791 114.8061 57.9893 41.9773 179.5039 68 A 4.2344 8.3091 120.7496 55.1220 18.2303 179.8752 69 K 3.9756 8.2554 116.2934 59.5256 32.1272 179.0686 70 S 4.2022 8.1645 113.0942 59.4006 61.1171 175.8721 71 G 3.9614 8.4970 110.6127 46.3398 0.0000 176.1634 72 K 3.9367 7.6658 120.1349 56.3607 31.8530 182.1965 73 Y 5.0902 6.9161 113.4984 56.8165 40.5470 175.4388 74 D 4.7499 9.1733 121.5947 55.4715 41.8380 176.5153 75 A 4.5402 7.2756 117.8010 51.2835 22.3941 175.0928 76 V 4.7296 8.1891 120.2567 61.0259 34.6350 174.4923 77 V 4.3477 8.7410 128.2399 61.5461 33.2695 174.1867 78 A 4.9224 8.6564 130.4181 49.7123 20.8024 175.2204 79 L 5.2880 7.9241 123.1394 52.6983 44.5079 176.4081 80 G 4.2020 7.7657 108.5529 45.9316 0.0000 171.8607 81 T 5.1155 8.5017 115.9069 61.5290 72.1300 174.3554 82 V 4.2205 9.0346 125.1404 61.3625 34.1437 173.8711 83 I 4.7168 8.1943 128.7020 59.5798 38.6922 175.9744 84 R 3.6839 8.4113 127.7729 56.5349 30.3124 176.3874 85 G 4.4155 8.3326 116.0153 44.3043 0.0000 173.0088 86 G 3.6333 8.7918 107.6993 47.5548 0.0000 173.3818 87 T 4.5128 7.5846 108.3457 59.6771 71.4711 173.6156 88 A 4.4316 8.3680 121.3506 52.7592 18.7510 178.5874 89 H 4.2623 8.3387 119.5131 60.1862 29.8715 176.8324 90 F 4.0077 8.4835 121.8649 61.6137 38.9786 176.6757 91 E 3.6046 8.1041 118.4188 59.4281 29.4003 178.2800 92 Y 4.3431 7.3974 115.7974 60.5251 38.1935 177.5613 93 V 3.6720 7.6997 119.5166 65.8475 31.6889 177.8120 94 A 4.0903 7.8179 120.2004 55.2317 18.0711 179.5658 95 G 3.6389 8.0931 104.7983 47.6606 0.0000 175.9576 96 G 3.9036 8.6208 107.9372 45.6828 0.0000 174.6501 97 A 4.3594 7.7775 122.5469 54.2863 19.7925 179.1629 98 S 4.1036 8.1170 111.6114 61.8049 62.3587 176.2404 99 N 4.4345 8.4551 119.3362 56.0127 38.3419 177.3539 100 G 3.7246 7.6437 105.7450 48.0605 0.0000 175.4078 101 L 3.9801 8.1245 121.5936 57.2395 41.8994 179.5466 102 A 3.9791 8.0275 120.4782 55.1821 18.2670 179.5330 103 S 3.9619 8.3395 111.7326 61.5456 62.4559 176.1711 104 V 3.5530 7.7570 120.6863 66.2640 31.1029 177.7627 105 A 4.3127 7.8229 121.1428 54.8090 18.0125 179.4220 106 Q 3.8924 7.6589 116.3460 59.2063 29.1456 177.8478 107 D 4.5226 8.0264 119.3894 57.0859 41.2413 178.5533 108 S 4.3327 8.2992 113.0193 58.8171 63.4160 175.6302 109 G 3.8921 8.1171 109.3776 45.7035 0.0000 173.7307 110 V 3.9696 7.5076 121.0574 61.6436 33.0145 173.6095 111 P 4.5117 0.0000 0.0000 62.6177 32.5375 175.1781 112 V 4.8709 8.3884 123.3519 61.0289 34.0703 174.2108 113 A 4.4646 8.8910 130.3403 50.8674 20.4565 176.2411 114 F 4.6610 9.0071 126.8063 56.2784 38.3940 175.8892 115 G 3.9505 8.1181 118.2481 44.9374 0.0000 170.9726 116 V 4.5733 6.0911 117.5837 60.5792 33.8259 176.0801 117 L 4.2715 8.8283 129.4818 55.1238 42.8144 176.6339 118 T 5.0996 8.7000 112.3743 58.8414 68.8804 172.5814 119 T 4.5852 8.1541 120.9233 61.0138 72.0701 175.1289 120 E 4.1144 9.8570 120.9682 57.4462 30.4202 177.3197 121 S 4.7105 7.5913 111.8739 55.5723 67.6421 174.7812 122 I 3.6838 8.2427 123.1558 64.3135 36.5858 177.9590 123 E 3.9259 8.1913 118.9755 59.7674 29.5966 178.6458 124 Q 4.2856 8.1104 117.4322 58.7883 28.8028 178.5507 125 A 4.0017 7.8044 121.6599 55.4564 18.3326 179.6713 126 I 3.7418 7.8968 118.1389 64.7529 37.1358 178.5434 127 E 4.5692 8.0418 120.2323 58.0624 29.2472 178.4338 128 R 4.5307 7.8979 115.6359 55.6143 30.5091 176.6448 129 A 4.8431 7.2845 121.9544 52.6818 19.5075 177.1284 130 G 4.4595 8.0627 108.0443 48.0444 0.0000 175.3675 131 T 4.5992 7.5425 115.2863 59.9751 68.8512 175.7451 132 K 3.7872 9.2244 117.0600 59.3174 31.7877 177.8019 133 A 4.5739 7.8168 119.3538 52.0273 19.9802 178.8667 134 G 3.7507 8.1361 110.6682 47.2859 0.0000 173.8309 135 N 5.2673 8.2340 117.5566 50.9126 40.8750 175.5859 136 K 4.0408 8.9657 128.8958 59.1631 32.0853 178.9031 137 G 4.0878 8.2940 107.8031 47.2846 0.0000 175.4484 138 A 4.0487 7.9043 123.1290 54.4298 18.3919 179.2587 139 E 3.8380 8.4150 117.6711 59.3400 29.7652 178.8962 140 A 4.0365 8.5927 122.3361 54.4079 18.4097 179.4192 141 A 3.9122 8.1684 119.4113 55.2617 18.3961 179.8555 142 L 3.9153 8.0843 117.7557 58.2750 41.2800 179.9509 143 T 3.8426 8.1609 109.4023 64.6979 68.4598 175.9473 144 A 3.9879 8.0341 123.8298 54.9952 18.4401 179.0485 145 L 3.8709 7.9809 116.6435 58.2057 41.8622 179.3182 146 E 4.1738 8.3963 120.2644 59.0746 29.4199 178.9947 147 M 4.0397 8.0054 118.1561 58.4095 31.9481 178.4078 148 I 3.6941 7.6789 119.9393 64.8762 37.2828 178.1467 149 N 4.3200 7.9927 116.3261 56.2433 38.1610 177.5654 150 V 3.5893 7.9092 119.0265 66.0834 31.5973 177.9168 151 L 4.0810 8.1533 117.8499 57.7708 41.9270 178.8084 152 K 3.9887 8.3155 119.4976 59.5853 31.8705 177.1912 153 A 4.6062 8.2261 120.5354 51.7656 19.2159 177.2802 154 I 3.8499 7.7178 120.9697 63.1764 37.8078 173.8772 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 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.79 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.36 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.60 4.45 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.58 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 7 N 8.17 5.08 0.00 2.73 2.64 0.00 0.00 6.87 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 8 V 8.21 3.88 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.06 4.24 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 10 A 8.20 4.61 1.21 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 0.00 0.00 11 P 0.00 4.69 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.75 0.00 2.69 2.72 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 0.00 0.00 0.00 0.00 13 A 7.61 4.64 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 14 R 9.57 4.83 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.86 4.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 16 A 8.46 4.89 0.28 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 0.00 0.00 0.00 17 I 8.75 4.79 1.68 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 1.17 0.89 0.74 0.00 0.00 18 T 8.58 4.86 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 1.09 0.00 0.00 19 I 8.34 5.19 0.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.15 0.43 0.00 0.00 20 A 8.41 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.30 4.45 0.00 2.10 2.54 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.25 4.60 0.00 3.16 2.98 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 23 N 9.88 4.66 0.00 2.99 3.00 0.00 0.00 6.88 7.97 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 24 Q 8.27 4.19 0.00 2.53 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 25 F 8.50 3.88 0.00 3.14 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 26 I 8.21 4.20 2.11 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 1.67 0.80 0.95 0.00 0.00 27 N 8.26 4.38 0.00 2.87 2.91 0.00 0.00 7.09 8.08 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 28 D 8.76 4.58 0.00 2.66 2.72 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 0.00 0.00 0.00 0.00 29 S 7.98 4.07 0.00 3.82 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 30 L 7.81 4.06 0.00 1.92 1.63 0.94 0.55 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 31 L 8.38 3.90 0.00 1.80 1.77 0.78 1.41 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 32 D 8.54 4.50 0.00 2.87 2.69 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 33 G 8.14 3.58 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 0.00 0.00 0.00 34 A 7.87 3.93 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 35 V 7.89 3.44 2.07 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 0.98 0.00 0.00 0.94 0.00 0.00 36 D 8.16 4.31 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 37 A 8.27 3.96 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 38 L 8.43 3.87 0.00 1.84 1.73 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.19 4.19 4.24 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 1.31 0.00 0.00 40 R 8.30 3.87 0.00 1.79 2.24 0.00 3.24 0.00 0.00 3.59 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 7.97 4.08 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 42 G 7.94 3.73 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 0.00 0.00 0.00 43 Q 8.39 3.81 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.53 3.82 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 0.93 0.00 0.00 0.99 0.00 0.00 45 K 8.59 4.25 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.75 0.00 2.83 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 47 D 7.99 4.79 0.00 2.79 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 48 N 8.58 4.72 0.00 2.87 2.99 0.00 0.00 6.91 7.47 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 49 I 7.59 4.97 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.89 0.00 0.00 50 T 8.86 4.74 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 1.49 0.00 0.00 51 V 8.39 4.62 2.07 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 0.49 0.00 0.00 0.84 0.00 0.00 52 V 9.08 4.32 1.98 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.95 0.00 3.20 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 54 V 8.68 4.39 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 0.81 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.97 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 57 A 8.49 4.08 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 58 Y 8.21 4.20 0.00 2.92 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 59 E 8.23 4.15 0.00 2.02 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 2.63 2.58 0.00 60 L 7.55 3.89 0.00 1.77 1.71 0.88 0.95 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 61 P 0.00 4.16 0.00 2.02 1.86 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 62 L 7.75 3.87 0.00 1.63 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.98 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 64 T 8.14 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 1.19 0.00 0.00 65 E 9.02 3.84 0.00 1.99 2.17 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 2.31 2.33 0.00 66 A 7.97 4.01 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 67 L 7.58 4.07 0.00 1.75 1.65 0.62 0.77 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 68 A 8.31 4.23 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 69 K 8.26 3.98 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.16 4.20 0.00 3.92 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 71 G 8.50 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.67 3.94 0.00 1.83 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.92 5.09 0.00 3.06 2.97 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 74 D 9.17 4.75 0.00 2.55 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 75 A 7.28 4.54 1.20 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 76 V 8.19 4.73 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 0.96 0.00 0.00 0.85 0.00 0.00 77 V 8.74 4.35 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.66 4.92 1.21 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 0.00 0.00 79 L 7.92 5.29 0.00 1.38 1.40 0.85 0.63 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 80 G 7.77 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 0.00 0.00 0.00 81 T 8.50 5.12 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 1.20 0.00 0.00 82 V 9.03 4.22 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 0.90 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.72 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.84 0.00 0.00 84 R 8.41 3.68 0.00 0.67 1.40 0.00 3.08 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 85 G 8.33 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 86 G 8.79 3.63 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 87 T 7.58 4.51 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 1.24 0.00 0.00 88 A 8.37 4.43 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 89 H 8.34 4.26 0.00 3.27 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.01 0.00 3.10 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 91 E 8.10 3.60 0.00 1.94 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 2.01 2.18 0.00 92 Y 7.40 4.34 0.00 2.98 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 93 V 7.70 3.67 1.94 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 1.05 0.00 0.00 0.76 0.00 0.00 94 A 7.82 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.09 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 0.00 0.00 0.00 96 G 8.62 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 97 A 7.78 4.36 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 0.00 0.00 0.00 0.00 0.00 98 S 8.12 4.10 0.00 3.71 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 99 N 8.46 4.43 0.00 2.80 2.82 0.00 0.00 6.95 7.55 0.00 0.00 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 G 7.64 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.12 3.98 0.00 1.87 1.82 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.03 3.98 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 0.00 103 S 8.34 3.96 0.00 3.96 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 0.00 104 V 7.76 3.55 2.23 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 1.03 0.00 0.00 0.95 0.00 0.00 105 A 7.82 4.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.66 3.89 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.03 4.52 0.00 2.70 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 0.00 108 S 8.30 4.33 0.00 4.03 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 0.00 109 G 8.12 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 0.00 110 V 7.51 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 0.96 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.51 0.00 2.12 1.96 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.87 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 0.81 0.00 0.00 0.93 0.00 0.00 113 A 8.89 4.46 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 0.00 114 F 9.01 4.66 0.00 3.00 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 0.00 115 G 8.12 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 0.00 116 V 6.09 4.57 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 0.70 0.00 0.00 -0.11 0.00 0.00 117 L 8.83 4.27 0.00 1.60 1.58 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.70 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 1.24 0.00 0.00 119 T 8.15 4.59 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 1.23 0.00 0.00 120 E 9.86 4.11 0.00 1.96 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 2.31 2.30 0.00 121 S 7.59 4.71 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.24 3.68 1.84 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 1.48 0.73 0.87 0.00 0.00 123 E 8.19 3.93 0.00 1.93 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 0.00 2.30 2.49 0.00 124 Q 8.11 4.29 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.80 4.00 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 0.00 126 I 7.90 3.74 2.01 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 1.88 1.29 0.99 0.00 0.00 127 E 8.04 4.57 0.00 2.24 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 2.34 2.39 0.00 128 R 7.90 4.53 0.00 1.88 1.93 0.00 3.11 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 129 A 7.28 4.84 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 0.00 130 G 8.06 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 0.00 0.00 0.00 0.00 131 T 7.54 4.60 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 1.23 0.00 0.00 132 K 9.22 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.57 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 0.00 134 G 8.14 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 0.00 0.00 0.00 135 N 8.23 5.27 0.00 2.70 2.65 0.00 0.00 6.93 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 0.00 136 K 8.97 4.04 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.29 4.09 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 0.00 138 A 7.90 4.05 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 0.00 139 E 8.42 3.84 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 140 A 8.59 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 0.00 141 A 8.17 3.91 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 L 8.08 3.92 0.00 1.97 1.72 0.96 0.59 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 0.00 143 T 8.16 3.84 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 1.24 0.00 0.00 144 A 8.03 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.98 3.87 0.00 1.85 1.91 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.40 4.17 0.00 2.01 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 2.32 2.24 0.00 147 M 8.01 4.04 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.68 3.69 2.06 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 1.68 0.86 0.92 0.00 0.00 149 N 7.99 4.32 0.00 2.95 2.86 0.00 0.00 6.73 8.40 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 0.00 150 V 7.91 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.15 4.08 0.00 1.79 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.32 3.99 0.00 1.91 2.06 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.50 7.81 153 A 8.23 4.61 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 0.00 154 I 7.72 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.91 0.00 0.00