NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2905 8.2931 120.3272 56.2625 33.3603 175.5280 2 G 3.9466 8.7987 106.7490 45.2572 0.0000 171.4798 3 S 4.6715 9.0408 115.9635 57.0348 66.9159 172.9494 4 S 4.7727 8.7393 120.4113 58.8924 63.0306 175.0331 5 H 4.4238 7.9771 120.4067 54.4193 26.9651 172.3751 6 H 4.6960 7.8546 115.8104 54.1037 28.8603 176.0492 7 H 4.5049 8.5254 123.3158 54.6319 27.2785 173.1304 8 H 4.7619 8.4537 119.8181 54.1940 29.9645 175.0350 9 H 4.9275 7.9626 123.5426 54.8612 28.3545 174.7653 10 H 4.3085 8.2958 117.4501 57.4133 27.7377 175.3457 11 S 4.4122 8.0543 117.4743 57.1109 65.4115 174.5791 12 S 4.3641 8.7419 120.5793 57.2891 61.9524 174.6415 13 G 3.7964 8.3819 120.3631 44.2393 0.0000 171.1712 14 L 4.4427 7.6284 119.0983 53.5434 42.4223 176.8095 15 V 4.2483 8.0142 117.7577 58.1825 33.4885 174.3568 16 P 4.2039 0.0000 0.0000 62.7819 31.4660 176.6410 17 R 4.0805 8.3263 119.9495 55.3815 31.4711 176.4304 18 G 3.8301 8.5096 105.3322 46.2237 0.0000 174.0440 19 S 4.6994 7.0422 115.1715 58.7947 63.5080 175.8218 20 H 4.2160 7.9301 121.3585 60.4140 28.6402 176.8251 21 M 4.2004 8.0952 118.3387 57.0471 32.2879 177.5922 22 W 4.5804 8.2665 118.6238 57.5899 29.7880 177.8757 23 N 4.1701 7.9994 117.5040 56.9885 38.2972 176.4496 24 D 4.6378 8.2255 119.6216 57.2415 40.9077 178.3903 25 L 3.8168 8.0626 120.1913 58.0411 42.0311 178.7395 26 A 3.8434 7.8753 120.2390 55.1832 18.3106 179.6524 27 V 3.6055 7.8788 116.7724 66.3202 31.7092 177.3963 28 Y 3.4580 8.2093 119.5124 60.7209 38.5124 178.3545 29 I 3.5494 7.5962 120.4942 64.2971 36.9148 178.3495 30 I 3.6381 7.6989 119.8909 64.6891 37.0445 178.4859 31 R 4.0211 7.8375 117.5088 59.1957 29.8982 178.5683 32 C 4.1900 7.5266 115.7685 59.9562 28.2999 174.4731 33 S 4.1200 8.1355 111.9858 56.6733 62.9645 174.7165 34 G 3.6789 9.2008 104.8310 42.9271 0.0000 171.7664 35 P 4.4537 0.0000 0.0000 63.5400 31.8602 176.4162 36 G 3.6845 9.4257 106.4819 46.1802 0.0000 172.4445 37 T 4.3042 7.1848 112.1034 61.6255 71.4817 171.1834 38 R 5.1842 8.3217 120.6846 54.3086 33.2115 175.4782 39 V 4.8678 8.6968 122.7553 61.1018 34.9079 174.0731 40 V 4.6678 8.7887 127.7595 61.2787 33.6697 173.8175 41 E 3.9398 9.1877 130.0676 54.4923 30.9852 174.4059 42 V 4.3977 8.2151 128.4553 61.5621 33.3374 176.5806 43 G 4.0502 8.5620 115.4343 45.2025 0.0000 174.4291 44 A 3.8977 7.7691 122.3896 52.7651 19.5569 181.9378 45 G 4.0957 8.3160 104.1259 45.6954 0.0000 173.5061 46 R 4.4720 8.8615 115.7189 55.1934 31.9482 174.4161 47 F 4.5391 8.5979 118.3672 56.7880 40.3889 173.7257 48 L 4.6302 7.6423 127.6989 54.4342 42.5721 178.6452 49 Y 3.7913 6.9997 121.2957 60.6812 38.5862 177.6234 50 V 3.3898 7.7109 118.7800 66.0218 31.7325 177.7492 51 S 4.3119 8.0704 114.9537 61.0332 62.8208 175.9628 52 D 4.2332 7.9407 121.4699 57.0399 40.9698 177.5054 53 Y 3.8746 8.0701 120.4549 60.5921 38.7145 178.2018 54 I 3.6434 8.0666 121.1789 64.3908 37.1099 178.6581 55 R 4.7889 8.0097 116.6091 58.1545 29.3092 178.3773 56 K 4.0964 7.5846 118.5791 59.2066 32.3141 178.3850 57 H 4.2086 7.7303 115.7433 57.0042 29.4588 176.1557 58 S 4.5648 8.2504 116.2051 56.6373 67.5134 174.2299 59 K 4.6468 8.4652 127.3697 55.7359 29.6287 175.8504 60 V 4.3004 7.2832 121.1229 60.4820 34.2190 178.0338 61 D 4.5701 8.9566 123.6701 53.7921 40.5123 173.1684 62 L 4.7250 8.1964 125.2012 54.0985 43.2033 175.5163 63 V 4.2364 9.2632 128.4061 61.3573 33.2210 174.4313 64 L 4.9942 8.4068 128.6338 53.9327 43.3574 175.8241 65 T 4.9715 8.5807 113.3951 60.1599 71.3885 172.3462 66 D 4.4232 8.2042 121.6975 53.6102 45.6276 174.7927 67 I 4.2044 8.2240 124.7191 62.2238 37.9926 176.8891 68 K 3.7360 8.6053 121.3363 57.4483 30.6927 172.0861 69 P 4.5869 0.0000 0.0000 63.2764 32.7906 176.8817 70 S 4.6207 8.5417 110.3591 57.9635 63.2292 172.7623 71 H 4.7881 7.8652 116.5498 53.8926 30.9362 173.2424 72 G 3.8164 8.6855 113.3032 48.2106 0.0000 171.9594 73 G 3.6535 8.4027 122.2573 45.2594 0.0000 172.5476 74 I 4.1053 6.9937 123.0565 60.0052 37.3974 175.7792 75 V 3.5843 8.9616 126.2684 63.2872 31.8683 176.8156 76 R 4.4499 8.3470 130.8710 55.7802 29.6538 174.6849 77 D 4.8990 7.4169 118.4794 52.8345 44.1752 173.9356 78 D 5.0264 8.4231 115.6029 52.7753 43.8172 176.9941 79 I 4.3308 8.2045 123.2534 61.7315 39.5957 176.5221 80 T 4.1517 8.1674 113.5420 64.0539 67.5526 174.4458 81 S 4.6490 8.3019 117.1199 55.6402 63.3112 171.2999 82 P 5.2351 0.0000 0.0000 61.8413 32.5376 177.4643 83 R 4.4405 8.4408 119.9747 55.2474 30.1116 177.2602 84 M 4.5248 8.7618 124.5668 58.1244 31.6894 178.3004 85 E 3.9744 8.2763 116.8686 59.5868 29.4998 178.8679 86 I 3.7840 7.5326 119.8966 63.9735 37.3424 177.3096 87 Y 4.3559 7.5001 116.6333 59.0404 38.1813 176.0002 88 R 4.1013 7.8448 119.6018 57.4402 30.5952 177.0681 89 G 3.9146 9.0775 110.0955 45.0781 0.0000 173.2237 90 A 4.5351 7.3871 122.1677 51.5126 19.6485 177.3724 91 A 4.4579 9.1684 122.6425 53.6335 20.5906 177.2425 92 L 4.8567 7.6853 115.7530 53.9729 46.1000 174.6114 93 I 5.3275 9.2285 125.9891 59.8089 40.7193 174.0419 94 Y 5.4643 9.0610 124.5349 55.3057 41.9880 174.4552 95 S 4.9121 9.2946 116.1794 56.9524 66.6918 173.4038 96 I 4.3603 8.7482 126.4802 60.2494 37.1368 175.6447 97 R 3.9124 8.0479 128.8303 56.4256 28.1465 173.2917 98 P 4.6645 0.0000 0.0000 60.6244 33.0809 175.3502 99 P 4.3209 0.0000 0.0000 62.8189 31.9536 176.7652 100 A 4.2727 8.3302 125.1183 52.2301 18.2238 178.2572 101 E 4.6039 8.1029 117.1968 57.1939 33.1981 176.7144 102 I 4.1782 7.5780 111.4915 61.0187 38.0789 176.9862 103 H 4.1543 8.1161 118.0540 59.3387 28.0466 177.3733 104 S 4.0223 7.5307 117.1077 61.5051 62.3574 176.7098 105 S 4.1226 7.9080 117.4569 61.4016 62.5034 176.7790 106 L 3.9164 7.6449 121.3660 57.9155 41.4739 179.1790 107 M 4.1192 8.1590 118.9757 58.3966 31.9033 179.0624 108 R 4.0131 7.8404 115.9147 58.9308 29.5995 179.2040 109 V 3.4408 7.3762 118.6462 65.7360 31.5198 177.7193 110 A 4.0150 7.9476 120.5374 55.4454 18.0422 179.1477 111 D 4.4307 8.1130 114.9214 57.2599 41.3158 178.1261 112 A 4.1413 7.8717 120.7060 55.2690 18.5759 179.6334 113 V 3.9063 7.8732 109.3035 61.7323 32.2873 176.7001 114 G 3.7574 8.9319 106.1437 46.2847 0.0000 172.7206 115 A 4.9618 7.5906 118.6496 49.3088 23.3736 176.4426 116 R 4.3492 8.1961 119.4928 56.2161 31.4348 175.0897 117 L 5.6956 9.0868 129.5505 53.5048 43.8200 175.0004 118 I 5.1410 8.6245 126.8378 59.7220 40.2547 174.2842 119 I 4.7587 9.5413 128.7453 59.4651 40.1759 174.8811 120 K 4.6768 8.6855 129.4286 54.5643 32.5621 173.8659 121 P 4.8240 0.0000 0.0000 61.6014 34.4167 176.0505 122 L 4.4425 8.1996 117.1766 54.3657 42.7843 177.8777 123 T 4.1550 7.9487 110.3701 63.7836 68.9923 174.8803 124 G 4.2987 7.4180 109.1011 44.2777 0.0000 172.2558 125 E 4.5279 8.0450 118.5332 54.3010 32.8118 174.0100 126 D 4.6781 8.5044 125.4407 53.4950 42.4234 175.8099 127 I 3.7228 7.8855 121.7415 61.3815 38.0178 176.1242 128 V 3.1311 8.5601 119.7908 63.7107 29.2940 169.4664 129 T 4.6707 6.9899 114.1448 60.1193 71.2456 172.3851 130 E 4.2231 8.3684 121.7145 55.8446 30.0406 178.2706 131 R 4.2946 8.1505 121.5182 55.8404 28.1147 175.3801 132 K 4.4106 8.0520 119.2552 56.9380 35.2012 176.8088 133 M 4.9402 7.8498 116.2973 54.2182 33.7596 175.9302 134 K 4.7506 8.9598 119.8735 54.9777 35.9470 174.8661 135 L 3.8798 8.2726 125.1943 54.4971 42.6142 176.0455 136 V 4.3073 8.5760 119.7310 59.3609 35.2489 174.3946 137 N 5.0382 8.4008 120.5907 51.5511 41.1151 173.3510 138 Y 4.4553 8.7690 125.6693 56.2783 40.9132 174.3539 139 G 3.8637 8.3652 118.0412 45.7715 0.0000 172.9713 140 R 4.5091 8.1162 121.3379 54.9306 33.1724 174.5644 141 T 4.4203 7.9185 113.0203 60.8763 68.9804 172.4780 142 Y 5.0567 7.5447 125.3105 55.4624 41.5484 174.3878 143 F 5.2672 7.9832 115.2579 56.6498 42.1402 171.6093 144 Y 5.2459 9.5001 116.7638 56.3745 40.2545 175.4055 145 E 5.5095 9.3058 122.0342 54.9385 33.6065 174.4481 146 Y 5.1615 9.0983 121.5600 56.4575 42.4201 173.9711 147 I 4.3047 8.2882 128.0195 59.7929 37.5753 175.3647 148 A 3.8007 7.5021 130.6910 51.1770 18.4020 177.0491 149 E 4.1246 8.5919 120.9820 56.5547 30.6925 177.1031 150 V 4.0110 8.1420 120.8934 61.9487 32.7291 176.1701 151 R 4.1521 8.1949 123.7269 55.7104 30.6672 176.7693 152 S 4.2438 8.3439 114.7900 58.5561 63.1291 174.4469 153 R 4.1800 8.3990 123.2509 56.5236 29.9701 176.5184 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 4.29 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 G 8.80 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 3 S 9.04 4.67 0.00 3.84 3.79 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 4 S 8.74 4.77 0.00 3.78 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 5 H 7.98 4.42 0.00 3.11 3.21 0.00 5.88 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 6 H 7.85 4.70 0.00 3.36 3.34 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.53 4.50 0.00 3.18 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.45 4.76 0.00 3.15 3.30 0.00 5.65 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 9 H 7.96 4.93 0.00 3.17 3.30 0.00 5.53 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.30 4.31 0.00 3.18 3.36 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.05 4.41 0.00 3.95 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 12 S 8.74 4.36 0.00 3.86 3.86 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 13 G 8.38 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 14 L 7.63 4.44 0.00 1.64 1.64 0.93 0.95 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 15 V 8.01 4.25 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 0.88 0.00 0.00 0.97 0.00 0.00 16 P 0.00 4.20 0.00 2.16 2.06 0.00 3.52 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 1.64 1.91 0.00 17 R 8.33 4.08 0.00 1.89 1.99 0.00 3.08 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 18 G 8.51 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.04 4.70 0.00 3.60 3.79 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 20 H 7.93 4.22 0.00 3.22 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.10 4.20 0.00 1.73 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 22 W 8.27 4.58 0.00 3.65 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.00 4.17 0.00 2.84 2.99 0.00 0.00 6.89 7.85 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 24 D 8.23 4.64 0.00 2.89 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.06 3.82 0.00 1.66 1.99 0.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.88 3.84 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 27 V 7.88 3.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.23 0.00 0.00 28 Y 8.21 3.46 0.00 2.50 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 29 I 7.60 3.55 1.76 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.36 0.68 0.00 0.00 30 I 7.70 3.64 2.05 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 1.49 0.66 0.90 0.00 0.00 31 R 7.84 4.02 0.00 1.68 1.89 0.00 3.32 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 32 C 7.53 4.19 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.14 4.12 0.00 3.95 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 34 G 9.20 3.68 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 35 P 0.00 4.45 0.00 2.04 2.07 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 36 G 9.43 3.68 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 37 T 7.18 4.30 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 1.29 0.00 0.00 38 R 8.32 5.18 0.00 1.95 1.79 0.00 3.11 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 39 V 8.70 4.87 2.20 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 1.36 0.00 0.00 0.98 0.00 0.00 40 V 8.79 4.67 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 1.10 0.00 0.00 1.02 0.00 0.00 41 E 9.19 3.94 0.00 1.65 1.64 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 2.04 1.69 0.00 42 V 8.22 4.40 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 1.15 0.00 0.00 1.00 0.00 0.00 43 G 8.56 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 44 A 7.77 3.90 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 45 G 8.32 4.10 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 0.00 0.00 0.00 46 R 8.86 4.47 0.00 1.77 1.91 0.00 3.22 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 47 F 8.60 4.54 0.00 2.80 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 48 L 7.64 4.63 0.00 1.57 1.51 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.00 3.79 0.00 2.42 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 0.00 0.00 0.00 50 V 7.71 3.39 2.57 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 1.12 0.00 0.00 1.35 0.00 0.00 51 S 8.07 4.31 0.00 4.11 4.36 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 52 D 7.94 4.23 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.07 3.87 0.00 2.44 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 54 I 8.07 3.64 2.04 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.68 0.90 0.00 0.00 55 R 8.01 4.79 0.00 1.91 2.06 0.00 3.04 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 56 K 7.58 4.10 0.00 1.83 1.76 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.50 7.81 57 H 7.73 4.21 0.00 3.02 3.23 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.25 4.56 0.00 3.73 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 59 K 8.47 4.65 0.00 1.78 1.70 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.36 7.81 60 V 7.28 4.30 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 0.90 0.00 0.00 1.00 0.00 0.00 61 D 8.96 4.57 0.00 2.81 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 62 L 8.20 4.72 0.00 1.72 1.59 1.10 1.09 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 63 V 9.26 4.24 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 0.80 0.00 0.00 0.97 0.00 0.00 64 L 8.41 4.99 0.00 1.62 1.53 0.90 0.66 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 65 T 8.58 4.97 4.27 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 1.07 0.00 0.00 66 D 8.20 4.42 0.00 2.73 2.49 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 67 I 8.22 4.20 1.88 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 1.37 0.67 0.92 0.00 0.00 68 K 8.61 3.74 0.00 1.94 1.86 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.41 7.81 69 P 0.00 4.59 0.00 2.23 2.12 0.00 3.70 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 1.99 2.05 0.00 70 S 8.54 4.62 0.00 3.78 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 71 H 7.87 4.79 0.00 3.25 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.69 3.82 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 0.00 0.00 0.00 73 G 8.40 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 74 I 6.99 4.11 1.88 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 1.17 0.61 0.93 0.00 0.00 75 V 8.96 3.58 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 0.92 0.00 0.00 0.91 0.00 0.00 76 R 8.35 4.45 0.00 1.83 1.90 0.00 3.24 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 77 D 7.42 4.90 0.00 2.58 2.57 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 0.00 78 D 8.42 5.03 0.00 2.76 2.47 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 0.00 0.00 0.00 0.00 79 I 8.20 4.33 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.93 0.00 0.00 80 T 8.17 4.15 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 1.37 0.00 0.00 81 S 8.30 4.65 0.00 3.97 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 82 P 0.00 5.24 0.00 2.43 2.18 0.00 3.38 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 83 R 8.44 4.44 0.00 1.87 1.92 0.00 3.51 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 84 M 8.76 4.52 0.00 2.12 2.20 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 2.74 2.62 0.00 85 E 8.28 3.97 0.00 2.10 2.11 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 2.27 2.36 0.00 86 I 7.53 3.78 1.22 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 1.37 0.46 0.60 0.00 0.00 87 Y 7.50 4.36 0.00 3.02 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 88 R 7.84 4.10 0.00 1.82 1.90 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 89 G 9.08 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.39 4.54 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 91 A 9.17 4.46 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 92 L 7.69 4.86 0.00 1.71 1.52 0.88 1.13 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 93 I 9.23 5.33 1.95 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 1.42 0.74 1.00 0.00 0.00 94 Y 9.06 5.46 0.00 3.15 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 95 S 9.29 4.91 0.00 3.80 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 96 I 8.75 4.36 2.11 0.00 0.00 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 1.25 1.01 0.88 0.00 0.00 97 R 8.05 3.91 0.00 2.12 1.95 0.00 3.34 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 98 P 0.00 4.66 0.00 2.23 2.07 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 99 P 0.00 4.32 0.00 2.21 2.03 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 100 A 8.33 4.27 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 0.00 101 E 8.10 4.60 0.00 2.02 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 2.18 2.28 0.00 102 I 7.58 4.18 1.86 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 1.70 0.63 0.91 0.00 0.00 103 H 8.12 4.15 0.00 3.34 3.58 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.53 4.02 0.00 3.76 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 0.00 105 S 7.91 4.12 0.00 3.97 3.86 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 0.00 106 L 7.64 3.92 0.00 1.87 1.70 0.94 0.92 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 0.00 107 M 8.16 4.12 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.47 0.00 108 R 7.84 4.01 0.00 2.00 2.17 0.00 2.75 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 109 V 7.38 3.44 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 0.41 0.00 0.00 0.72 0.00 0.00 110 A 7.95 4.01 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.11 4.43 0.00 3.03 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 0.00 112 A 7.87 4.14 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 0.00 113 V 7.87 3.91 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 1.01 0.00 0.00 1.12 0.00 0.00 114 G 8.93 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 0.00 115 A 7.59 4.96 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 0.00 116 R 8.20 4.35 0.00 1.95 1.85 0.00 3.16 0.00 0.00 3.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 117 L 9.09 5.70 0.00 1.96 1.82 1.09 0.90 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 0.00 118 I 8.62 5.14 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 0.72 0.00 0.00 119 I 9.54 4.76 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.99 0.00 0.00 120 K 8.69 4.68 0.00 1.87 1.85 0.00 1.15 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.21 1.09 7.81 121 P 0.00 4.82 0.00 2.27 2.11 0.00 3.93 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 122 L 8.20 4.44 0.00 1.79 1.63 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.95 4.16 4.33 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 1.12 0.00 0.00 124 G 7.42 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 0.00 0.00 0.00 0.00 125 E 8.04 4.53 0.00 1.89 1.79 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 2.18 2.29 0.00 126 D 8.50 4.68 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.72 1.57 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.21 0.64 0.00 0.00 128 V 8.56 3.13 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 0.65 0.00 0.00 0.88 0.00 0.00 129 T 6.99 4.67 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 1.07 0.00 0.00 130 E 8.37 4.22 0.00 1.93 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 0.00 2.29 2.33 0.00 131 R 8.15 4.29 0.00 1.77 1.87 0.00 3.19 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 132 K 8.05 4.41 0.00 1.52 1.47 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.21 7.81 133 M 7.85 4.94 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 134 K 8.96 4.75 0.00 1.81 1.95 0.00 1.38 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.44 7.81 135 L 8.27 3.88 0.00 0.94 1.30 0.59 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.58 4.31 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 0.78 0.00 0.00 0.87 0.00 0.00 137 N 8.40 5.04 0.00 2.43 2.62 0.00 0.00 6.61 7.20 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 0.00 138 Y 8.77 4.46 0.00 2.79 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 0.00 139 G 8.37 3.86 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 0.00 0.00 0.00 140 R 8.12 4.51 0.00 1.67 1.85 0.00 3.28 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 141 T 7.92 4.42 4.27 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 1.50 0.00 0.00 142 Y 7.54 5.06 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 7.98 5.27 0.00 3.32 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 0.00 144 Y 9.50 5.25 0.00 3.04 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 0.00 145 E 9.31 5.51 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 146 Y 9.10 5.16 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.29 4.30 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.82 0.00 0.00 148 A 7.50 3.80 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 0.00 149 E 8.59 4.12 0.00 1.97 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 0.00 2.28 2.31 0.00 150 V 8.14 4.01 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 0.82 0.00 0.00 0.92 0.00 0.00 151 R 8.19 4.15 0.00 1.85 1.85 0.00 3.45 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 152 S 8.34 4.24 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.40 4.18 0.00 1.84 1.82 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00