NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4407 8.1933 115.4106 58.5005 64.1718 175.0020 -1 N 4.3931 8.7469 120.7730 53.9638 38.6442 174.2189 0 A 4.4676 8.2920 128.3642 52.0552 18.7699 178.7400 0 K 4.4676 8.3420 124.9642 55.7552 32.7699 177.5400 3 V 4.7467 8.5016 124.7837 60.8703 35.2324 173.7766 4 L 4.7951 8.5863 128.3326 52.9842 45.0659 174.5618 5 L 4.6513 8.7209 128.9400 53.6039 43.9388 175.0659 6 V 4.4577 8.3162 127.6681 61.4659 32.8092 174.6287 7 L 4.9995 9.0407 129.2260 53.6403 44.0919 175.6539 8 T 4.9942 8.2668 114.6939 60.3972 70.4003 173.1436 9 D 4.4581 8.9669 124.7931 57.6915 40.6363 177.3273 10 A 3.9984 8.4760 120.6005 55.4506 18.3783 178.2168 11 Y 4.4042 7.8443 119.0113 56.3466 38.5086 176.7379 12 S 4.2559 9.0254 122.7561 58.5463 61.3122 174.6267 13 D 4.5030 9.3452 124.3852 53.6809 39.0287 178.0838 14 C 4.9850 8.2128 127.7038 54.7060 45.2921 174.0504 15 E 3.9684 8.2112 125.1873 59.1729 29.9587 177.4334 16 K 3.8693 8.2460 117.9335 59.6139 32.1312 178.7609 17 A 4.1446 8.0877 120.0233 55.5490 18.4694 179.5573 18 I 3.7768 7.5349 117.1360 64.7313 37.0713 178.9594 19 T 3.7224 8.0708 116.6887 66.8066 68.4640 176.0124 20 Y 4.1405 8.0259 118.3953 61.2301 37.8546 178.6228 21 A 3.8980 8.0109 121.3779 55.3186 18.3834 179.6412 22 V 3.0638 7.5297 116.3119 66.3518 31.3668 177.7988 23 N 4.2587 8.1076 115.9291 56.6267 38.3472 177.4178 24 F 3.9994 8.5624 118.6874 60.3122 38.6524 177.7822 25 S 4.3857 7.9902 112.7421 61.5681 62.2036 175.1243 26 E 4.1830 8.9251 122.3903 58.0281 28.5365 179.0417 27 K 3.8591 6.7275 123.6937 59.6848 33.0381 178.2113 28 L 4.2829 7.8863 115.2315 53.4688 42.2706 176.8088 29 G 3.9494 7.4010 106.9870 45.7340 0.0000 172.8762 30 A 4.6570 8.0126 118.8357 50.6309 21.9626 178.9306 31 E 4.3941 8.6030 121.5109 54.8904 29.2711 173.4355 32 L 4.6288 8.2730 126.1476 54.4890 43.2423 175.1148 33 D 5.2278 9.2241 125.3798 52.5545 45.0834 174.7941 34 I 4.8446 8.1524 120.7403 59.3941 40.7714 174.2392 35 L 4.6877 8.9052 127.8040 52.9496 45.2875 174.6861 36 A 4.8783 8.7436 128.4598 50.1564 21.6692 175.1078 37 V 4.2582 8.5074 123.9693 61.8058 32.8766 176.3649 38 L 4.7770 8.7418 132.7023 53.8691 38.2693 177.0898 39 E 4.2577 8.0661 123.1011 59.4145 29.8492 177.5112 40 D 4.4135 8.2068 118.5538 57.3143 40.9650 178.7369 41 V 3.7711 8.1271 118.5567 66.1291 31.6658 177.1812 42 Y 4.2212 8.2108 119.2108 61.0989 38.5997 177.9569 43 N 4.0228 8.4957 117.0420 55.4373 38.5106 176.9737 44 L 3.9518 7.3134 121.5085 57.7325 42.4362 178.1909 45 E 3.1027 7.7181 118.3864 59.1896 29.2734 179.8066 46 R 3.6168 7.4246 117.3787 59.2070 30.2132 179.0517 47 A 3.7801 7.4964 120.1506 54.7136 18.0063 178.8530 48 N 4.1753 8.0593 116.5870 56.6383 38.8187 176.8206 49 V 3.5282 7.5493 119.3969 66.7408 31.6435 178.1487 50 T 3.7878 7.5192 114.0360 65.4033 68.1848 175.7284 51 F 5.1594 7.6671 117.0458 55.8460 40.0753 176.0519 52 G 4.0716 9.5308 106.4565 46.3696 0.0000 173.8396 53 L 4.3982 7.2311 115.9790 52.6553 42.5918 175.5155 54 P 4.3230 0.0000 0.0000 63.3087 31.6939 176.2936 55 F 4.8722 8.3834 123.1667 55.0950 39.8715 171.8661 56 P 4.2446 0.0000 0.0000 61.6313 31.8522 176.1816 57 P 4.1970 0.0000 0.0000 64.8658 31.2142 178.7393 58 E 3.9491 7.9401 117.5783 58.9162 29.3462 178.8895 59 I 3.5689 7.2158 120.0198 64.2012 37.1721 178.0742 60 K 3.8243 7.7137 119.5833 59.5522 32.1143 177.9524 61 E 3.7551 7.7582 119.2190 59.4978 29.5189 178.5849 62 E 3.9724 8.7865 119.2533 59.0867 29.4767 178.9581 63 S 4.1504 8.0304 115.6291 61.4243 62.8206 176.7112 64 K 3.9407 7.9345 121.2895 59.1761 31.5750 179.6630 65 K 3.9819 7.9465 118.9444 59.4148 31.8851 179.6436 66 R 3.9283 8.0074 118.3970 59.2099 30.0774 179.1144 67 I 3.7483 7.5861 119.5631 64.5214 37.1228 178.2537 68 E 3.9717 8.4066 119.3972 59.3600 29.2314 179.2484 69 R 3.8837 8.2167 118.7842 59.8396 30.2220 178.7180 70 R 4.1317 8.2605 117.6301 59.1577 29.9584 179.2589 71 L 4.2424 7.8250 118.6575 57.8701 41.7019 179.2815 72 R 4.0026 8.1259 118.0804 59.5273 29.9463 178.5510 73 E 4.0655 8.4312 118.1895 59.8523 29.6722 179.8046 74 V 3.6081 7.6088 116.3860 65.5899 31.6105 177.8108 75 W 3.7965 8.9967 128.4721 60.4113 30.3953 177.3882 76 E 4.3509 8.7012 119.5259 58.8571 29.2235 178.3819 77 K 3.9774 8.1790 118.2393 59.1328 32.1309 178.0611 78 L 4.2778 7.4738 117.9296 55.2695 42.6560 177.0310 79 T 4.5667 8.0416 109.1316 59.2955 70.8174 174.9933 80 G 3.7774 8.9220 113.5008 47.0566 0.0000 172.6031 81 S 4.8167 8.4327 115.3797 56.9286 64.0827 174.5773 82 T 4.3585 8.3245 121.2121 63.8608 68.8941 174.8724 83 E 3.9795 8.1593 122.4069 56.5786 29.4689 176.3737 84 I 3.4978 7.6308 124.0938 57.9412 40.3511 173.7480 85 P 4.2887 0.0000 0.0000 62.2824 31.8025 176.3572 86 G 3.7216 8.2302 108.5148 45.4358 0.0000 173.1236 87 V 4.2216 8.0395 122.1271 60.9262 33.5009 174.5206 88 E 4.5327 8.3797 127.2072 55.0556 31.2915 174.4588 89 Y 5.0823 8.5209 121.9411 56.4911 40.2952 175.4189 90 R 4.6850 8.8290 121.0561 54.6456 34.9676 174.4581 91 I 4.5262 8.2730 123.9022 60.5400 38.3882 174.7280 92 G 2.9336 7.6205 112.6498 45.1411 0.0000 168.8854 93 P 4.5439 0.0000 0.0000 62.2963 31.6415 176.5462 94 L 3.8043 9.0918 125.5165 58.3899 41.8128 179.3077 95 S 4.1357 8.0066 113.0247 61.7784 62.8467 176.1331 96 E 3.8807 8.1195 122.6146 58.8652 29.4152 178.3644 97 E 3.9743 8.4164 118.8828 59.4482 29.3912 179.7244 98 V 3.6980 8.1010 118.3734 65.7336 31.7361 178.1394 99 K 3.9797 7.9318 117.7897 59.5086 31.7422 179.3166 100 K 3.9550 7.7039 116.7675 59.5555 32.1134 178.8342 101 F 4.1667 8.1277 119.3550 61.4116 39.5017 177.1138 102 V 4.1479 8.7014 117.9569 64.6543 31.0688 174.5955 103 E 3.7021 8.0518 118.6363 56.1616 29.1825 177.4246 104 G 3.9867 8.4104 117.9342 47.1170 0.0000 172.2877 105 K 4.1820 7.7581 113.3162 55.1969 34.2292 178.0567 106 G 3.8150 8.2021 106.3083 45.9598 0.0000 173.4323 107 Y 4.3292 7.6546 117.0362 57.9448 38.4865 175.5936 108 E 4.7129 8.8755 120.2176 56.3487 32.0202 175.0068 109 L 5.1652 7.7575 121.9441 53.6266 46.2577 174.3209 110 V 4.4135 8.6273 124.6906 60.9358 34.6332 174.0768 111 V 4.4027 8.3728 128.4965 61.0688 32.9445 174.3712 112 W 4.7277 8.9389 128.9829 55.6622 30.4779 176.1214 113 A 4.4014 9.1980 128.2710 51.9115 17.1597 176.2055 114 C 4.5145 8.2824 116.7056 57.8240 38.9782 173.3216 115 Y 3.6285 7.4874 120.9740 55.9872 39.0777 172.9295 116 P 3.6889 0.0000 0.0000 62.7510 31.6683 176.9142 117 S 3.8537 8.6279 119.3565 61.5861 62.1860 176.2866 118 A 3.9056 7.5262 122.8750 55.1170 18.1310 178.3553 119 Y 4.5647 7.5168 113.1858 59.6081 38.5672 177.0852 120 L 4.0737 7.6315 119.0687 55.5924 41.6644 178.1766 121 C 3.6351 7.8867 119.4971 62.4314 31.4237 175.4956 122 K 3.9391 7.9351 120.2967 59.5251 31.9074 178.4630 123 V 3.5987 7.7430 117.9247 66.2946 31.1221 177.7865 124 I 3.7586 7.7888 118.4108 64.5595 37.0062 177.6421 125 D 4.5623 7.7153 117.6835 57.0088 41.1108 178.1633 126 G 3.7691 8.1861 105.8546 46.9323 0.0000 174.2330 127 L 4.1630 7.7246 121.2567 54.7620 42.6930 177.8479 128 N 4.9327 8.3675 120.7482 51.1214 37.7973 173.2855 129 L 4.6313 7.0523 116.7076 54.5292 44.0319 176.5005 130 A 4.3567 8.8331 121.7658 52.1226 19.8034 176.7341 131 S 5.1533 8.5951 115.5271 56.7247 66.0966 173.4412 132 L 4.4282 9.2917 128.1315 53.6266 43.1846 175.3362 133 I 4.4790 8.3024 128.4955 60.3839 38.5152 175.6326 134 V 4.1396 7.9487 128.2440 60.9641 33.1137 176.1607 135 K 4.1475 8.5929 126.4718 56.7353 32.0791 176.8182 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 -2 S 8.19 4.44 0.00 4.02 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 -1 N 8.75 4.39 0.00 2.82 2.88 0.00 0.00 6.68 6.46 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 A 8.29 4.47 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 0 K 8.34 4.47 0.00 1.63 1.40 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 3 V 8.50 4.75 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 0.87 0.00 0.00 1.03 0.00 0.00 4 L 8.59 4.80 0.00 0.27 0.78 0.62 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.72 4.65 0.00 1.71 1.44 0.91 0.69 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 6 V 8.32 4.46 1.55 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 0.73 0.00 0.00 0.25 0.00 0.00 7 L 9.04 5.00 0.00 1.68 1.56 0.93 -0.25 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 8 T 8.27 4.99 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 1.68 0.00 0.00 9 D 8.97 4.46 0.00 3.04 2.80 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 10 A 8.48 4.00 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 0.00 0.00 0.00 0.00 0.00 11 Y 7.84 4.40 0.00 3.13 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 12 S 9.03 4.26 0.00 3.85 3.50 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 0.00 0.00 0.00 0.00 13 D 9.35 4.50 0.00 2.86 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 14 C 8.21 4.98 0.00 3.09 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 15 E 8.21 3.97 0.00 2.11 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 2.39 2.42 0.00 16 K 8.25 3.87 0.00 1.94 2.05 0.00 1.80 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.58 7.81 17 A 8.09 4.14 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 18 I 7.53 3.78 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 1.10 0.00 0.00 19 T 8.07 3.72 4.38 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 1.04 0.00 0.00 20 Y 8.03 4.14 0.00 3.24 3.07 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 21 A 8.01 3.90 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 22 V 7.53 3.06 1.90 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 0.57 0.00 0.00 -0.16 0.00 0.00 23 N 8.11 4.26 0.00 3.09 2.81 0.00 0.00 7.13 8.23 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 24 F 8.56 4.00 0.00 3.31 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 25 S 7.99 4.39 0.00 3.97 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 26 E 8.93 4.18 0.00 1.94 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 2.47 2.37 0.00 27 K 6.73 3.86 0.00 1.72 1.80 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 28 L 7.89 4.28 0.00 1.68 1.58 0.13 0.80 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 29 G 7.40 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 30 A 8.01 4.66 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 31 E 8.60 4.39 0.00 2.10 1.91 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 2.38 2.33 0.00 32 L 8.27 4.63 0.00 1.80 1.71 1.00 1.56 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 33 D 9.22 5.23 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.15 4.84 1.88 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 1.20 1.01 0.74 0.00 0.00 35 L 8.91 4.69 0.00 0.85 0.95 0.53 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.74 4.88 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 37 V 8.51 4.26 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 0.91 0.00 0.00 0.81 0.00 0.00 38 L 8.74 4.78 0.00 1.81 1.88 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.07 4.26 0.00 2.15 2.13 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 2.58 2.61 0.00 40 D 8.21 4.41 0.00 3.23 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.13 3.77 2.40 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 1.26 0.00 0.00 1.12 0.00 0.00 42 Y 8.21 4.22 0.00 3.17 3.26 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 43 N 8.50 4.02 0.00 2.89 2.80 0.00 0.00 6.76 7.00 0.00 0.00 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 L 7.31 3.95 0.00 2.07 1.62 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.72 3.10 0.00 1.97 1.75 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 1.81 2.16 0.00 46 R 7.42 3.62 0.00 1.75 1.69 0.00 2.32 0.00 0.00 2.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.00 47 A 7.50 3.78 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 48 N 8.06 4.18 0.00 2.57 2.71 0.00 0.00 6.63 8.51 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 49 V 7.55 3.53 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 0.80 0.00 0.00 0.85 0.00 0.00 50 T 7.52 3.79 3.13 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 0.40 0.00 0.00 51 F 7.67 5.16 0.00 3.20 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 52 G 9.53 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 53 L 7.23 4.40 0.00 1.81 1.67 0.96 0.98 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 54 P 0.00 4.32 0.00 2.08 2.05 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 55 F 8.38 4.87 0.00 2.84 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 56 P 0.00 4.24 0.00 2.06 1.97 0.00 3.51 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 2.06 2.07 0.00 57 P 0.00 4.20 0.00 2.08 2.02 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 58 E 7.94 3.95 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 2.34 2.40 0.00 59 I 7.22 3.57 1.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.91 0.00 0.00 60 K 7.71 3.82 0.00 1.75 1.84 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.50 7.81 61 E 7.76 3.76 0.00 1.99 1.86 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 2.25 2.31 0.00 62 E 8.79 3.97 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 63 S 8.03 4.15 0.00 4.05 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 64 K 7.93 3.94 0.00 1.62 1.11 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.56 1.43 7.81 65 K 7.95 3.98 0.00 1.93 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.57 7.81 66 R 8.01 3.93 0.00 1.90 2.00 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.00 0.00 67 I 7.59 3.75 2.20 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.33 0.99 0.00 0.00 68 E 8.41 3.97 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 2.38 2.52 0.00 69 R 8.22 3.88 0.00 2.06 2.09 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 70 R 8.26 4.13 0.00 2.07 2.04 0.00 3.38 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 71 L 7.82 4.24 0.00 1.94 1.69 0.83 0.93 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 72 R 8.13 4.00 0.00 2.08 2.04 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 73 E 8.43 4.07 0.00 2.06 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 2.38 2.65 0.00 74 V 7.61 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.04 0.00 0.00 75 W 9.00 3.80 0.00 3.76 3.12 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 0.00 76 E 8.70 4.35 0.00 2.25 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 2.39 2.38 0.00 77 K 8.18 3.98 0.00 1.79 2.06 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 78 L 7.47 4.28 0.00 1.73 1.51 0.85 0.41 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 79 T 8.04 4.57 4.26 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 1.11 0.00 0.00 80 G 8.92 3.78 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 0.00 0.00 0.00 81 S 8.43 4.82 0.00 3.89 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 82 T 8.32 4.36 4.26 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 1.21 0.00 0.00 83 E 8.16 3.98 0.00 2.02 1.91 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 2.34 2.31 0.00 84 I 7.63 3.50 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.36 0.30 0.00 0.00 85 P 0.00 4.29 0.00 1.85 1.95 0.00 2.46 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 86 G 8.23 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 87 V 8.04 4.22 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.78 0.00 0.00 88 E 8.38 4.53 0.00 1.80 1.70 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 2.31 2.74 0.00 89 Y 8.52 5.08 0.00 2.86 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 90 R 8.83 4.68 0.00 1.61 1.88 0.00 3.29 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 91 I 8.27 4.53 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 1.16 0.00 0.00 92 G 7.62 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 0.00 0.00 0.00 93 P 0.00 4.54 0.00 2.14 2.02 0.00 3.40 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 94 L 9.09 3.80 0.00 1.50 1.40 0.82 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.01 4.14 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.12 3.88 0.00 2.03 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 2.35 2.39 0.00 97 E 8.42 3.97 0.00 2.12 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 2.31 2.37 0.00 98 V 8.10 3.70 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 1.06 0.00 0.00 1.00 0.00 0.00 99 K 7.93 3.98 0.00 2.04 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.76 7.81 100 K 7.70 3.96 0.00 1.96 1.91 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.70 7.81 101 F 8.13 4.17 0.00 3.10 3.06 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 0.00 0.00 0.00 102 V 8.70 4.15 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 1.07 0.00 0.00 1.01 0.00 0.00 103 E 8.05 3.70 0.00 2.16 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 2.34 0.00 104 G 8.41 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 0.00 0.00 0.00 105 K 7.76 4.18 0.00 1.65 1.24 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 1.39 7.81 106 G 8.20 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 0.00 107 Y 7.65 4.33 0.00 3.00 2.85 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 0.00 108 E 8.88 4.71 0.00 2.06 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 0.00 2.47 2.33 0.00 109 L 7.76 5.17 0.00 1.76 1.47 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.63 4.41 1.78 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 -0.55 0.00 0.00 0.66 0.00 0.00 111 V 8.37 4.40 1.85 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 0.88 0.00 0.00 0.53 0.00 0.00 112 W 8.94 4.73 0.00 3.27 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 0.00 113 A 9.20 4.40 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 0.00 114 C 8.28 4.51 0.00 3.20 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 0.00 115 Y 7.49 3.63 0.00 2.88 2.80 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 0.00 116 P 0.00 3.69 0.00 0.62 1.17 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 117 S 8.63 3.85 0.00 3.89 4.01 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 0.00 118 A 7.53 3.91 1.06 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 0.00 0.00 0.00 0.00 0.00 119 Y 7.52 4.56 0.00 3.05 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 0.00 120 L 7.63 4.07 0.00 1.30 0.93 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 121 C 7.89 3.64 0.00 2.94 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 0.00 122 K 7.94 3.94 0.00 1.90 1.77 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.55 7.81 123 V 7.74 3.60 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.89 0.00 0.00 124 I 7.79 3.76 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.37 0.92 0.00 0.00 125 D 7.72 4.56 0.00 2.74 2.83 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 0.00 126 G 8.19 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 0.00 0.00 0.00 127 L 7.72 4.16 0.00 1.75 1.72 1.21 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.37 4.93 0.00 2.72 2.80 0.00 0.00 6.80 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 0.00 129 L 7.05 4.63 0.00 1.71 1.77 0.98 0.72 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 0.00 130 A 8.83 4.36 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 0.00 131 S 8.60 5.15 0.00 3.86 4.06 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 0.00 0.00 0.00 132 L 9.29 4.43 0.00 1.59 1.39 0.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.30 4.48 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.85 0.00 0.00 134 V 7.95 4.14 2.12 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 1.11 0.00 0.00 0.76 0.00 0.00 135 K 8.59 4.15 0.00 1.78 1.69 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.39 7.81