NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.2893 120.3486 55.3530 33.0632 174.6933 2 N 4.6454 8.5943 124.1292 51.4501 38.8838 173.0059 3 I 4.5868 8.8259 121.4150 59.5528 41.8187 176.2714 4 I 4.3659 8.3252 123.9187 59.6052 38.4913 175.1896 5 K 4.4362 8.6074 124.8689 54.4031 34.0475 176.2644 6 A 4.5298 8.3975 126.5798 50.8867 20.7331 175.0313 7 N 5.0518 8.1875 116.7662 51.9734 41.4605 175.5735 8 V 3.9147 8.1725 114.1931 62.5933 32.3144 176.8039 9 A 4.2750 8.0632 123.5943 52.0868 18.6954 178.0212 10 A 4.6268 8.2517 122.7064 51.2604 21.5129 174.0966 11 P 4.6580 0.0000 0.0000 64.7910 32.2021 178.7103 12 D 4.7375 8.0698 116.0571 54.2339 40.5781 175.7528 13 A 4.6369 7.6476 124.4207 51.8090 20.2853 178.3025 14 R 4.8421 9.4398 121.0515 55.1273 32.4727 175.8556 15 V 4.9484 8.8655 124.3326 59.9923 34.8569 173.9601 16 A 4.9082 8.4828 128.2659 50.0523 21.6027 175.1462 17 I 4.8083 8.6554 123.5957 59.5352 39.5899 174.7084 18 T 4.7609 8.6358 117.5052 59.9503 70.8813 173.2168 19 I 5.2050 8.3200 126.5526 58.2153 40.5529 174.5199 20 A 5.0285 8.4291 127.8508 51.3059 19.1562 177.9252 21 R 4.4312 9.2627 119.5821 58.4979 30.2528 176.9515 22 F 4.5667 8.2088 121.2172 60.1212 39.6311 174.3851 23 N 4.7179 9.8536 124.0059 54.3021 35.6151 176.0941 24 Q 4.2604 8.3214 120.2166 59.3970 28.0544 178.0839 25 F 4.1285 8.5109 121.5842 61.0175 39.4272 176.3629 26 I 4.2099 8.3700 119.0308 63.7686 37.6445 177.7343 27 N 4.3643 8.3011 116.5942 56.3402 38.2524 177.0072 28 D 4.4541 8.6997 120.7743 57.5684 40.9773 178.7518 29 S 4.0561 7.9515 113.0705 60.9900 62.4639 175.3386 30 L 4.0387 7.8662 123.2950 58.7258 41.6348 178.4099 31 L 3.8499 8.3253 120.3826 57.7416 41.9508 178.5100 32 D 4.4991 8.5003 118.5926 57.3991 40.9857 179.7725 33 G 3.5842 8.1203 105.7112 47.7645 0.0000 175.3209 34 A 3.9844 7.8226 123.3930 54.6826 18.4818 179.4041 35 V 3.4476 7.8717 116.6548 66.2682 31.5933 177.3897 36 D 4.2964 8.1997 117.2458 57.8289 40.9842 177.5928 37 A 3.8942 8.4205 120.7577 55.8662 18.3711 179.0543 38 L 3.8436 8.6508 116.0497 59.2259 41.9093 179.9198 39 T 4.1867 8.2707 110.8057 64.0568 68.6382 176.2923 40 R 3.8502 8.1661 123.6182 58.3652 30.6261 178.0320 41 I 4.0557 7.9901 117.0603 63.6191 37.7322 177.1787 42 G 3.7342 7.9480 106.5880 45.2366 0.0000 174.1430 43 Q 3.6877 8.2570 119.8410 56.4799 28.0317 172.8557 44 V 3.7863 7.4517 116.4995 62.0667 32.2502 175.0318 45 K 4.2667 8.5545 128.7816 56.2638 32.6498 176.5338 46 D 4.7110 8.7807 124.4636 53.9317 39.2032 176.2074 47 D 4.7946 7.9807 117.2174 53.7579 40.2140 176.3088 48 N 4.7211 8.4322 117.7538 53.6198 39.3633 174.0572 49 I 4.9578 7.5851 120.2258 60.1812 38.4872 175.1696 50 T 4.7112 8.8092 117.3069 59.7036 71.9099 173.0197 51 V 4.6094 8.4104 123.6394 61.0936 34.0709 174.5658 52 V 4.3034 8.9401 128.8549 60.8369 33.5754 174.5076 53 W 4.9607 8.9881 129.1171 56.4989 29.6093 176.5050 54 V 4.4399 8.6612 119.0305 59.0608 33.7953 174.9626 55 P 4.3157 0.0000 0.0000 65.2557 31.4872 176.8497 56 G 4.5246 7.9963 108.7726 42.7936 0.0000 174.1109 57 A 4.0867 8.4893 120.8048 54.8261 18.1200 179.2925 58 Y 4.1885 8.1817 117.0176 60.5826 39.0551 177.3749 59 E 4.1657 8.2342 118.9549 58.0040 29.6766 178.4701 60 L 3.8807 7.5365 119.4190 58.1935 41.6011 177.0289 61 P 4.1854 0.0000 0.0000 64.6806 31.1427 177.9979 62 L 3.8899 7.6908 117.9929 58.4641 42.2878 179.2703 63 A 3.9920 7.7572 120.1381 55.6641 18.3089 179.8445 64 T 3.8462 8.1457 108.2527 64.4855 68.7371 176.2043 65 E 3.8434 9.0034 122.9549 59.1882 29.6504 178.2794 66 A 4.0133 7.9919 120.5735 55.6157 18.1885 179.6057 67 L 4.1069 7.5667 114.8418 57.9018 41.9528 179.4977 68 A 4.2189 8.3337 120.8391 55.1761 18.2180 179.7993 69 K 3.9284 8.2129 116.1951 59.6530 32.1321 178.9392 70 S 4.2073 8.0683 112.9151 59.5380 62.1013 175.8078 71 G 3.9449 8.4663 110.5739 46.2053 0.0000 175.9476 72 K 3.5987 7.7050 120.4483 56.2726 31.8605 182.1249 73 Y 5.1248 6.9791 113.3459 56.9069 40.7402 175.4629 74 D 4.7199 9.1549 122.1880 55.9692 41.8367 176.4685 75 A 4.5348 7.3550 117.4206 51.2358 22.4680 175.0738 76 V 4.7482 8.1962 120.1892 61.0442 34.4681 174.4937 77 V 4.3715 8.7332 128.3159 61.5041 33.3848 174.1490 78 A 4.9429 8.5693 130.0697 49.6495 20.9172 175.1725 79 L 5.2898 7.8679 123.2221 52.6250 44.4240 176.3464 80 G 4.1963 7.7397 108.2424 46.1723 0.0000 171.9270 81 T 5.0829 8.1765 116.4857 61.4960 71.9760 174.4531 82 V 4.2250 9.0225 125.0858 61.3749 34.1976 173.8648 83 I 4.7749 8.2044 128.7369 59.6218 38.6387 175.9937 84 R 3.6454 8.4233 127.7855 56.5515 30.3328 176.3423 85 G 4.4136 8.3346 115.9655 44.2033 0.0000 172.9144 86 G 3.6440 8.7698 107.5531 47.4553 0.0000 173.3420 87 T 4.5337 7.6021 108.3558 59.7147 71.6157 173.4809 88 A 4.4878 8.3739 121.3271 52.7324 18.8286 178.6677 89 H 4.3042 8.3047 120.2431 60.3271 29.6217 176.9350 90 F 4.0628 8.4803 121.9475 61.4437 39.0046 176.5777 91 E 3.5697 7.9597 118.2739 59.5791 29.3753 178.4781 92 Y 4.3015 7.4126 115.9446 60.8769 38.2062 177.5181 93 V 3.7034 7.7122 119.3105 65.8550 31.5656 177.7849 94 A 4.0812 7.8095 120.4329 55.1439 18.1054 179.7440 95 G 3.5987 8.1015 104.6306 47.8245 0.0000 176.0815 96 G 3.8497 8.6288 108.2806 45.8176 0.0000 174.7136 97 A 4.3038 7.7217 122.5355 54.1867 19.8280 179.0934 98 S 4.1223 8.3113 111.9203 61.8197 62.3728 176.2777 99 N 4.4164 8.4682 119.3745 56.0171 38.3283 177.3629 100 G 3.7638 7.6643 106.0897 48.1054 0.0000 175.4899 101 L 3.9929 7.9463 121.6566 57.2152 41.7641 179.5641 102 A 3.9766 8.0310 120.5987 55.0950 18.2445 179.5004 103 S 3.9404 8.3247 111.8497 61.5499 62.4321 176.1863 104 V 3.5424 7.7539 120.6399 66.2202 31.0762 177.6717 105 A 4.3400 7.8108 121.1987 54.8100 18.0099 179.4135 106 Q 3.8811 7.7078 116.4846 59.2476 29.1357 177.8511 107 D 4.5275 8.0851 119.4236 56.9655 41.2519 178.4266 108 S 4.3730 8.3382 112.8771 58.5830 63.5263 175.6112 109 G 3.8962 8.2176 109.8292 45.6747 0.0000 173.7708 110 V 3.9403 7.5630 121.1581 61.6656 33.0035 173.6128 111 P 4.5230 0.0000 0.0000 62.7010 32.4582 175.1442 112 V 4.8943 8.4135 123.6173 61.0181 34.0516 174.2229 113 A 4.4753 8.8839 130.2705 50.8811 20.5237 176.2093 114 F 4.8122 9.0205 126.6197 56.2393 38.5333 175.9021 115 G 3.9786 8.1189 118.3726 44.9677 0.0000 170.8709 116 V 4.6438 6.1593 117.5399 60.5828 33.9249 176.0304 117 L 4.2676 8.7693 129.3801 55.0893 42.7887 176.5572 118 T 4.9198 8.5205 112.9832 59.8340 68.8820 172.6346 119 T 4.5992 8.7141 120.8492 60.9405 71.9533 175.3087 120 E 4.0797 9.7081 120.8123 57.4662 30.4341 177.3789 121 S 4.7121 7.5963 111.9388 55.5791 67.6381 174.7884 122 I 3.6977 8.2356 123.1886 64.3169 36.5869 178.0287 123 E 3.9215 8.1735 119.0309 59.7111 29.6613 178.6509 124 Q 4.2762 8.0537 117.3641 58.7661 28.7621 178.4162 125 A 4.0085 7.8215 121.4822 55.4695 18.3337 179.7181 126 I 3.7554 7.8605 118.1249 64.6923 37.1152 178.5516 127 E 4.5531 8.0503 120.2153 58.0621 29.3004 178.4107 128 R 4.5360 8.0037 115.8442 55.6723 30.5178 176.6953 129 A 4.7428 7.2326 121.9749 52.6840 19.4951 177.0607 130 G 4.4535 7.9716 108.0221 48.1106 0.0000 175.3576 131 T 4.5776 7.5675 115.0746 59.9833 68.9526 175.8112 132 K 3.8018 9.1776 117.0689 59.3610 31.8187 177.7217 133 A 4.5640 7.8098 119.1692 52.0474 19.9679 179.0409 134 G 3.7284 8.1573 109.9082 47.4233 0.0000 173.9668 135 N 5.2165 8.2657 118.5722 50.9916 41.1936 175.6188 136 K 4.0311 8.8882 129.1390 59.0226 32.0971 179.3191 137 G 4.0523 8.2247 107.6276 47.3795 0.0000 175.6026 138 A 3.9950 7.8956 123.5116 54.3305 18.4523 179.2188 139 E 3.8383 8.5556 118.0049 59.4525 29.7691 178.9417 140 A 4.0831 8.5711 122.3809 54.3769 18.3656 179.4222 141 A 3.8862 8.1081 119.3672 55.3308 18.4016 179.9020 142 L 3.9308 8.0356 117.6935 58.2074 41.2878 179.9548 143 T 3.8657 8.0684 109.2982 64.4407 68.5271 176.3098 144 A 3.9784 7.8876 124.0043 55.0699 18.3852 179.0657 145 L 3.8588 7.8779 117.0157 58.1966 41.7592 179.2602 146 E 4.1677 8.3847 120.3311 59.1283 29.4368 178.9777 147 M 4.0452 8.0025 118.1692 58.3593 31.9168 178.4735 148 I 3.6917 7.6643 119.9317 64.8019 37.2967 178.1767 149 N 4.3109 7.9552 116.5524 56.2444 38.1608 177.5119 150 V 3.5896 7.8715 118.9194 66.1106 31.8086 177.9043 151 L 4.0812 8.3585 118.8079 57.8372 41.3781 179.1259 152 K 3.8413 8.0515 118.2516 59.5749 32.0836 177.0915 153 A 4.4560 8.2185 120.3795 51.7715 19.3702 177.2620 154 I 3.8748 7.7813 120.9480 63.1711 37.7516 173.9386 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 8.59 4.65 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 8.83 4.59 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 4.37 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 0.60 0.91 0.00 0.00 5 K 8.61 4.44 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.40 4.53 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 7 N 8.19 5.05 0.00 2.73 2.64 0.00 0.00 6.86 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 8.17 3.91 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 4.27 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 10 A 8.25 4.63 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.66 0.00 2.23 2.39 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 8.07 4.74 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 7.65 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 9.44 4.84 0.00 1.42 1.79 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 1.45 1.40 0.00 15 V 8.87 4.95 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.48 4.91 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 8.66 4.81 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.73 0.00 0.00 18 T 8.64 4.76 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.32 5.20 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 0.79 -0.18 0.34 0.00 0.00 20 A 8.43 5.03 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 21 R 9.26 4.43 0.00 2.10 2.52 0.00 2.87 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 22 F 8.21 4.57 0.00 3.14 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 23 N 9.85 4.72 0.00 2.96 3.02 0.00 0.00 6.87 7.74 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 24 Q 8.32 4.26 0.00 2.53 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 4.13 0.00 3.14 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 26 I 8.37 4.21 2.11 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 1.66 0.74 0.95 0.00 0.00 27 N 8.30 4.36 0.00 2.87 2.91 0.00 0.00 7.06 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 8.70 4.45 0.00 2.64 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 7.95 4.06 0.00 3.82 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 30 L 7.87 4.04 0.00 1.91 1.64 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.33 3.85 0.00 1.76 1.79 0.77 1.05 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 8.50 4.50 0.00 2.85 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 33 G 8.12 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 7.82 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 35 V 7.87 3.45 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 0.97 0.00 0.00 0.91 0.00 0.00 36 D 8.20 4.30 0.00 2.82 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.42 3.89 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 38 L 8.65 3.84 0.00 1.83 1.72 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.27 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 1.25 0.00 0.00 40 R 8.17 3.85 0.00 1.80 2.25 0.00 3.24 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 7.99 4.06 2.06 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 0.96 0.91 0.00 0.00 42 G 7.95 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 8.26 3.69 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.45 3.79 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 0.91 0.00 0.00 0.99 0.00 0.00 45 K 8.55 4.27 0.00 1.80 1.67 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 8.78 4.71 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 7.98 4.79 0.00 2.78 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 8.43 4.72 0.00 2.90 2.99 0.00 0.00 6.91 7.02 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 49 I 7.59 4.96 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 0.53 0.89 0.00 0.00 50 T 8.81 4.71 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 1.52 0.00 0.00 51 V 8.41 4.61 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 0.50 0.00 0.00 0.84 0.00 0.00 52 V 8.94 4.30 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 0.94 0.00 0.00 0.87 0.00 0.00 53 W 8.99 4.96 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 8.66 4.44 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 0.87 0.00 0.00 1.05 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.32 0.00 3.75 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 2.04 0.00 56 G 8.00 4.52 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 57 A 8.49 4.09 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 58 Y 8.18 4.19 0.00 2.91 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 59 E 8.23 4.17 0.00 2.00 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 7.54 3.88 0.00 1.79 1.71 0.86 0.76 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 61 P 0.00 4.19 0.00 2.03 1.85 0.00 3.66 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 2.05 2.09 0.00 62 L 7.69 3.89 0.00 1.64 1.67 0.92 0.90 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 63 A 7.76 3.99 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 64 T 8.15 3.85 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 1.26 0.00 0.00 65 E 9.00 3.84 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 66 A 7.99 4.01 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 67 L 7.57 4.11 0.00 1.74 1.70 0.65 1.10 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 68 A 8.33 4.22 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 69 K 8.21 3.93 0.00 1.86 1.91 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 1.61 7.81 70 S 8.07 4.21 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 8.47 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 72 K 7.71 3.60 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.98 5.12 0.00 2.74 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.15 4.72 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 7.35 4.53 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 8.20 4.75 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 0.98 0.00 0.00 0.86 0.00 0.00 77 V 8.73 4.37 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.57 4.94 1.22 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 79 L 7.87 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.74 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 8.18 5.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 V 9.02 4.23 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 0.90 0.00 0.00 0.88 0.00 0.00 83 I 8.20 4.77 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 1.23 0.69 0.84 0.00 0.00 84 R 8.42 3.65 0.00 0.67 1.37 0.00 3.07 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 85 G 8.33 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 0.00 0.00 0.00 0.00 86 G 8.77 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 87 T 7.60 4.53 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 1.25 0.00 0.00 88 A 8.37 4.49 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 89 H 8.30 4.30 0.00 3.26 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 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 4.06 0.00 3.11 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 91 E 7.96 3.57 0.00 1.97 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 2.00 2.17 0.00 92 Y 7.41 4.30 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.71 3.70 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 1.05 0.00 0.00 0.75 0.00 0.00 94 A 7.81 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.10 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 0.00 0.00 0.00 96 G 8.63 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 0.00 0.00 0.00 97 A 7.72 4.30 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 98 S 8.31 4.12 0.00 3.70 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 99 N 8.47 4.42 0.00 2.87 2.82 0.00 0.00 6.95 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 0.00 100 G 7.66 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.95 3.99 0.00 2.04 1.81 1.03 1.08 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 0.00 102 A 8.03 3.98 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 0.00 103 S 8.32 3.94 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 7.75 3.54 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 1.04 0.00 0.00 0.96 0.00 0.00 105 A 7.81 4.34 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 0.00 106 Q 7.71 3.88 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.09 4.53 0.00 2.69 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 8.34 4.37 0.00 4.02 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 8.22 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 0.00 110 V 7.56 3.94 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 4.52 0.00 2.12 1.97 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 8.41 4.89 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 8.88 4.48 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.02 4.81 0.00 2.99 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 0.00 115 G 8.12 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 0.00 116 V 6.16 4.64 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 0.67 0.00 0.00 -0.06 0.00 0.00 117 L 8.77 4.27 0.00 1.62 1.58 0.92 0.57 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 8.52 4.92 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 1.25 0.00 0.00 119 T 8.71 4.60 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 1.23 0.00 0.00 120 E 9.71 4.08 0.00 1.94 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 2.31 2.30 0.00 121 S 7.60 4.71 0.00 3.94 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 3.70 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 1.47 0.59 0.86 0.00 0.00 123 E 8.17 3.92 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 2.29 2.48 0.00 124 Q 8.05 4.28 0.00 2.31 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 2.37 2.36 0.00 125 A 7.82 4.01 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 0.00 126 I 7.86 3.76 2.00 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 1.89 1.01 0.99 0.00 0.00 127 E 8.05 4.55 0.00 2.23 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 2.40 0.00 128 R 8.00 4.54 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.23 4.74 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 0.00 130 G 7.97 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.57 4.58 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 9.18 3.80 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 3.07 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.81 4.56 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 0.00 134 G 8.16 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 0.00 135 N 8.27 5.22 0.00 2.70 2.65 0.00 0.00 6.94 6.75 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 0.00 136 K 8.89 4.03 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.22 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 0.00 138 A 7.90 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 0.00 139 E 8.56 3.84 0.00 2.02 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 8.57 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 0.00 141 A 8.11 3.89 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 0.00 142 L 8.04 3.93 0.00 1.99 1.72 0.91 0.58 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 0.00 143 T 8.07 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 1.24 0.00 0.00 144 A 7.89 3.98 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 0.00 145 L 7.88 3.86 0.00 1.87 1.91 0.97 0.89 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 0.00 146 E 8.38 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 8.00 4.05 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 2.90 0.00 148 I 7.66 3.69 2.05 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 1.69 0.83 0.92 0.00 0.00 149 N 7.96 4.31 0.00 2.92 2.86 0.00 0.00 6.73 9.03 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 0.00 150 V 7.87 3.59 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 0.83 0.00 0.00 0.97 0.00 0.00 151 L 8.36 4.08 0.00 1.93 1.69 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.05 3.84 0.00 1.83 2.11 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.22 4.46 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 7.78 3.87 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