NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2359 8.2644 123.5750 52.1202 19.4517 174.8085 2 E 4.0488 8.5400 115.5200 56.3896 30.4998 176.8850 3 C 4.3062 9.0897 121.4832 57.5164 39.3194 171.7458 4 S 4.4300 7.1590 112.2659 56.5760 65.9817 173.5334 5 V 4.6382 8.3091 119.4215 60.3487 35.2657 173.4213 6 D 5.3980 8.5389 120.6110 52.6063 43.5811 175.5788 7 I 4.8113 8.6799 122.3577 59.5736 42.1066 173.4827 8 Q 5.2924 9.8146 128.1254 54.0746 32.2639 174.7028 9 G 4.5243 8.9614 110.1808 44.7245 0.0000 172.3388 10 N 5.8401 8.2393 124.3278 50.6792 39.9459 174.7245 11 D 4.6106 8.7685 117.0300 55.5135 41.0284 176.6261 12 Q 4.3419 8.1361 121.0014 58.4457 29.7043 176.7001 13 M 3.0568 7.2703 108.5429 56.0779 29.8121 175.4527 14 Q 4.4920 7.3334 124.7046 54.6742 33.0688 175.2193 15 F 5.3462 8.4751 120.5494 56.6341 40.2279 175.9463 16 N 4.5880 8.6170 120.6030 54.8635 37.6693 175.0446 17 T 4.7790 7.7595 111.8428 60.1854 70.8313 172.4631 18 N 5.2419 8.6356 119.8427 52.4903 39.2523 173.4055 19 A 5.2197 7.9034 120.2107 51.0068 22.4308 175.6022 20 I 4.6705 8.8087 122.1029 59.7202 40.9399 174.7355 21 T 4.9494 8.5205 121.7597 61.8045 71.2276 173.3510 22 V 3.9641 8.6348 127.1482 61.1077 33.1302 174.4657 23 D 4.9487 8.5911 127.3884 53.6222 41.8733 177.1726 24 K 4.1835 8.6925 126.1432 59.0263 32.2779 178.7392 25 S 4.2644 8.1892 114.0140 60.9792 63.0236 175.4238 26 C 4.5069 7.5764 117.4340 56.9322 41.3166 173.6731 27 K 4.2230 8.7175 123.3702 58.4733 33.0426 176.7652 28 Q 4.9494 7.9139 115.9597 53.8064 32.4854 174.8728 29 F 4.7189 8.4095 123.5972 56.5597 42.8838 173.6537 30 T 4.8934 7.7222 122.0762 61.5941 71.5281 173.1120 31 V 4.3623 8.3780 125.8556 61.0287 34.0134 173.8443 32 N 5.2261 8.6053 125.6618 51.5301 40.7562 173.2857 33 L 5.1392 8.8618 127.5323 53.5335 44.2717 175.3826 34 S 5.1151 8.9520 119.7371 56.8541 67.0058 172.5893 35 H 5.6860 8.9600 121.4850 52.5792 31.1770 170.8933 36 P 4.4846 0.0000 0.0000 63.3840 32.1965 175.6212 37 G 3.9419 7.8336 107.8865 44.9734 0.0000 173.3451 38 N 4.9564 8.8072 117.0876 52.6076 41.7567 174.3714 39 L 4.4495 7.9421 119.4103 52.6600 43.1920 174.6531 40 P 4.4697 0.0000 0.0000 61.7700 32.6042 177.1179 41 K 3.8178 8.8204 119.7356 59.7592 31.8497 177.8284 42 N 5.0149 8.2337 112.0462 53.9250 37.8426 174.8536 43 V 4.2404 7.7529 117.0882 64.4622 33.5888 175.9599 44 M 4.4216 7.9059 116.5442 54.2976 32.1803 175.4386 45 G 4.0592 6.6415 105.2360 46.0218 0.0000 173.4072 46 H 5.4949 9.3440 119.4712 53.9055 33.7020 172.0840 47 N 5.5577 8.8734 117.0789 51.2958 41.9500 172.3595 48 W 4.9400 9.2121 128.1593 55.5933 33.7051 173.9575 49 V 4.5120 8.1574 127.0909 60.7245 34.0927 173.7206 50 L 4.5730 7.8374 129.5066 53.4227 44.6644 175.0927 51 S 5.0767 8.3230 118.5664 57.6819 67.1831 174.0278 52 T 4.5884 8.5626 109.8400 61.1156 69.3222 175.2637 53 A 4.0599 8.8452 124.6151 55.3577 18.3197 179.7912 54 A 4.0489 7.8272 117.8800 55.0317 18.8663 178.8038 55 D 4.4814 8.0102 116.0149 55.8976 41.0878 178.2321 56 M 3.5997 7.4556 118.4954 58.8426 32.1193 177.9394 57 Q 3.9355 7.9621 118.9469 58.7950 29.2105 178.3318 58 G 3.5076 7.8641 106.4473 47.7154 0.0000 175.6603 59 V 3.6289 7.6509 121.3782 65.4892 31.5223 178.1043 60 V 3.5695 7.6072 117.7977 66.3547 31.3621 177.9276 61 T 3.8299 7.8948 115.2668 67.0540 68.1553 176.4466 62 D 4.5339 8.0751 119.1186 56.9286 41.0668 178.8634 63 G 4.0798 8.2862 108.0691 47.4460 0.0000 175.3303 64 M 4.1164 8.2998 120.8601 58.5167 32.0554 178.2589 65 A 4.1693 7.8366 119.1345 54.8738 18.9176 179.2776 66 S 4.2302 8.1322 113.5855 58.6652 63.0033 175.5907 67 G 4.0147 7.2221 105.7248 44.6088 0.0000 174.2627 68 L 3.1191 7.6421 120.1312 57.4491 42.2822 178.7738 69 D 4.2301 7.8696 117.1621 55.8178 39.6698 177.0061 70 K 4.2805 7.6815 116.9521 55.2901 32.2178 176.0452 71 D 4.4509 8.3929 117.5780 55.8379 39.2443 173.0468 72 Y 3.8358 7.5168 111.6116 58.5884 36.0482 170.8644 73 L 4.8798 7.4657 116.1298 52.7489 46.2415 176.7355 74 K 4.3829 8.5454 124.2250 55.0809 32.5112 174.7607 75 P 4.2955 0.0000 0.0000 64.1245 31.9380 175.8233 76 D 4.8124 8.6436 119.1389 55.1349 38.4886 174.0314 77 D 4.4750 7.5397 118.8470 53.8775 41.4020 176.8946 78 S 4.3125 8.6920 122.1184 60.9113 63.2657 175.5274 79 R 4.0715 7.9325 118.9899 57.6582 30.2086 176.6417 80 V 3.9450 7.2408 116.6358 62.3919 31.1077 175.5687 81 I 4.0235 8.5445 129.8786 64.3030 37.5787 176.3138 82 A 4.7356 7.4503 120.8104 51.6752 22.4605 174.7768 83 H 5.2809 8.3987 112.1613 55.1562 30.9064 173.8748 84 T 4.4803 8.7778 112.0299 60.3755 70.6524 173.7666 85 K 4.3229 8.7057 123.7274 56.4183 33.3033 175.4909 86 L 4.9359 8.8135 125.9405 53.9081 42.6693 175.6502 87 I 4.7626 9.1954 120.3134 59.3167 41.1702 175.5431 88 G 4.4553 8.5149 111.1311 44.4711 0.0000 173.1492 89 S 4.9305 7.1590 114.0996 58.9543 63.3343 175.1254 90 G 3.9704 8.8203 110.2564 45.5206 0.0000 173.1304 91 E 4.6774 7.6275 119.5791 54.9390 31.7053 175.1159 92 K 5.0822 8.4124 122.4657 55.1207 35.7433 174.2267 93 D 4.8143 9.0065 123.9673 53.6831 45.4771 173.4403 94 S 5.7472 8.6013 116.0377 56.5692 67.6645 173.9557 95 V 4.5747 8.0542 119.1178 60.7691 34.6108 173.6038 96 T 5.1771 8.6511 120.2339 61.7680 70.9790 173.2078 97 F 5.1320 8.4766 119.8176 55.0891 42.4096 173.3684 98 D 4.9902 8.6751 118.9370 53.4606 41.8009 178.2844 99 V 3.7731 8.6166 124.2440 65.3643 31.7529 177.7177 100 S 4.3724 8.0312 112.5803 59.8529 62.8990 174.7500 101 K 4.2743 7.7908 119.6284 57.0314 32.3938 176.4328 102 L 4.5041 7.7328 119.7939 52.4844 42.9780 175.8218 103 K 4.6818 8.9320 122.1067 54.4120 34.7393 175.3700 104 E 4.1509 8.7482 122.9620 57.7192 29.8848 176.5667 105 G 3.8597 8.9534 114.3425 46.5685 0.0000 172.4955 106 E 4.5411 7.7156 117.4764 53.7668 32.8523 174.4611 107 Q 4.4051 8.0925 123.2993 54.3922 30.8346 174.5366 108 Y 5.2109 8.3272 120.9767 56.6688 41.2196 174.9207 109 M 5.2223 9.2231 120.0911 53.7573 36.8133 174.5442 110 S 4.6242 8.8237 116.9802 56.6150 66.3642 172.8176 111 F 5.2175 7.3369 115.4631 56.7705 41.5797 171.6944 112 C 5.5214 9.1435 120.2247 57.3758 32.5350 173.5613 113 T 4.4581 9.1213 115.3316 61.3411 69.2604 174.8562 114 F 3.1749 8.0751 125.8530 57.4779 39.7717 172.3907 115 P 4.0856 0.0000 0.0000 64.1740 31.9443 174.8502 116 G 4.4300 9.4015 116.0103 46.5613 0.0000 175.1099 117 H 4.0785 8.1252 118.1299 58.4542 28.8668 177.7253 118 S 4.4045 8.2897 112.2858 61.0917 62.7850 175.5111 119 A 4.1111 8.0493 123.7101 54.5487 18.2333 178.1178 120 L 4.4443 7.8179 113.3369 55.7651 43.3943 176.8415 121 M 4.2856 7.9228 120.2145 52.8585 30.6126 173.8964 122 K 5.0230 7.9755 120.2308 55.7366 35.6704 173.6673 123 G 4.3186 9.1753 112.9036 46.0848 0.0000 171.9729 124 T 4.9187 8.3864 110.0828 60.3801 71.3083 174.1998 125 L 5.1742 8.4584 124.3887 53.9493 44.6298 175.1523 126 T 4.7477 8.9672 117.6213 59.7959 71.5006 173.0006 127 L 5.0509 8.5825 126.7040 53.6035 43.7385 176.1308 128 K 4.4596 9.0429 125.0415 57.1130 32.8416 175.9391 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 A 8.26 4.24 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 2 E 8.54 4.05 0.00 2.08 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 2.34 2.41 0.00 3 C 9.09 4.31 0.00 3.05 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 4 S 7.16 4.43 0.00 3.49 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.31 4.64 2.26 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 0.70 0.00 0.00 0.95 0.00 0.00 6 D 8.54 5.40 0.00 2.50 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.68 4.81 1.70 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.46 0.64 0.00 0.00 8 Q 9.81 5.29 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 9 G 8.96 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 10 N 8.24 5.84 0.00 2.76 2.88 0.00 0.00 7.29 7.88 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 11 D 8.77 4.61 0.00 2.70 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 12 Q 8.14 4.34 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 13 M 7.27 3.06 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 14 Q 7.33 4.49 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 15 F 8.48 5.35 0.00 3.05 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 16 N 8.62 4.59 0.00 2.91 3.01 0.00 0.00 6.63 7.05 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 17 T 7.76 4.78 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 1.23 0.00 0.00 18 N 8.64 5.24 0.00 2.82 3.05 0.00 0.00 5.66 8.04 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 19 A 7.90 5.22 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.81 4.67 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.93 0.00 0.00 21 T 8.52 4.95 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 1.22 0.00 0.00 22 V 8.63 3.96 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 0.71 0.00 0.00 0.40 0.00 0.00 23 D 8.59 4.95 0.00 2.83 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 24 K 8.69 4.18 0.00 1.89 1.87 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 25 S 8.19 4.26 0.00 3.93 3.93 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 26 C 7.58 4.51 0.00 3.18 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.72 4.22 0.00 1.73 1.81 0.00 1.48 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.52 7.81 28 Q 7.91 4.95 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 29 F 8.41 4.72 0.00 2.67 1.63 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 30 T 7.72 4.89 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 1.09 0.00 0.00 31 V 8.38 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 -0.14 0.00 0.00 0.18 0.00 0.00 32 N 8.61 5.23 0.00 2.70 2.63 0.00 0.00 5.98 6.58 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 33 L 8.86 5.14 0.00 1.70 1.53 1.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.95 5.12 0.00 3.93 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 35 H 8.96 5.69 0.00 3.28 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.48 0.00 2.19 2.20 0.00 4.07 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 37 G 7.83 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 38 N 8.81 4.96 0.00 2.63 2.77 0.00 0.00 6.89 7.37 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 39 L 7.94 4.45 0.00 1.87 1.53 0.90 0.99 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 40 P 0.00 4.47 0.00 2.37 2.19 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 41 K 8.82 3.82 0.00 1.85 1.94 0.00 1.81 0.00 0.00 2.05 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.63 7.81 42 N 8.23 5.01 0.00 3.01 3.03 0.00 0.00 5.82 7.75 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 43 V 7.75 4.24 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 0.97 0.00 0.00 44 M 7.91 4.42 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 45 G 6.64 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 0.00 0.00 0.00 46 H 9.34 5.49 0.00 3.12 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.87 5.56 0.00 2.87 3.16 0.00 0.00 5.62 9.02 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 48 W 9.21 4.94 0.00 3.26 2.94 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 49 V 8.16 4.51 1.11 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 0.67 0.00 0.00 0.88 0.00 0.00 50 L 7.84 4.57 0.00 0.68 0.97 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.32 5.08 0.00 4.13 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 52 T 8.56 4.59 4.18 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 1.40 0.00 0.00 53 A 8.85 4.06 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 54 A 7.83 4.05 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 55 D 8.01 4.48 0.00 2.72 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 56 M 7.46 3.60 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.77 0.00 57 Q 7.96 3.94 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 G 7.86 3.51 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 0.00 0.00 0.00 59 V 7.65 3.63 2.29 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 1.31 0.00 0.00 1.02 0.00 0.00 60 V 7.61 3.57 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 0.97 0.00 0.00 0.50 0.00 0.00 61 T 7.89 3.83 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 62 D 8.08 4.53 0.00 2.68 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 63 G 8.29 4.08 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 0.00 0.00 0.00 64 M 8.30 4.12 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 65 A 7.84 4.17 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 66 S 8.13 4.23 0.00 4.02 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 67 G 7.22 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 0.00 0.00 0.00 68 L 7.64 3.12 0.00 1.52 1.51 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.87 4.23 0.00 2.76 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 70 K 7.68 4.28 0.00 1.85 1.95 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.33 7.81 71 D 8.39 4.45 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 72 Y 7.52 3.84 0.00 3.20 3.09 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 73 L 7.47 4.88 0.00 1.80 1.49 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.55 4.38 0.00 1.72 1.88 0.00 1.61 0.00 0.00 2.37 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 75 P 0.00 4.30 0.00 2.21 1.95 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 76 D 8.64 4.81 0.00 2.75 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 77 D 7.54 4.47 0.00 2.74 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 S 8.69 4.31 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 4.07 0.00 2.00 2.07 0.00 3.17 0.00 0.00 3.16 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 80 V 7.24 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 0.77 0.00 0.00 0.96 0.00 0.00 81 I 8.54 4.02 1.64 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 1.12 0.60 0.76 0.00 0.00 82 A 7.45 4.74 1.14 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 0.00 0.00 0.00 83 H 8.40 5.28 0.00 3.11 3.21 0.00 5.72 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 84 T 8.78 4.48 4.49 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 1.29 0.00 0.00 85 K 8.71 4.32 0.00 2.05 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.66 7.81 86 L 8.81 4.94 0.00 1.86 1.98 1.28 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.20 4.76 1.93 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 1.27 0.81 0.97 0.00 0.00 88 G 8.51 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 89 S 7.16 4.93 0.00 4.01 3.74 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 90 G 8.82 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 0.00 0.00 0.00 91 E 7.63 4.68 0.00 2.04 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 0.00 2.27 2.41 0.00 92 K 8.41 5.08 0.00 1.70 1.63 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.45 7.81 93 D 9.01 4.81 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.60 5.75 0.00 3.68 3.70 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 95 V 8.05 4.57 2.24 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 0.85 0.00 0.00 1.08 0.00 0.00 96 T 8.65 5.18 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 1.13 0.00 0.00 97 F 8.48 5.13 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.68 4.99 0.00 2.88 2.66 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 99 V 8.62 3.77 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 0.97 0.00 0.00 0.85 0.00 0.00 100 S 8.03 4.37 0.00 4.04 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 0.00 101 K 7.79 4.27 0.00 1.89 1.90 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 102 L 7.73 4.50 0.00 1.62 1.45 0.91 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.93 4.68 0.00 1.94 1.96 0.00 1.41 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.56 7.81 104 E 8.75 4.15 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 2.31 2.40 0.00 105 G 8.95 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 0.00 106 E 7.72 4.54 0.00 1.97 1.58 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 2.11 2.37 0.00 107 Q 8.09 4.41 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.40 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 108 Y 8.33 5.21 0.00 3.08 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 0.00 109 M 9.22 5.22 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 110 S 8.82 4.62 0.00 2.73 3.45 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 0.00 111 F 7.34 5.22 0.00 3.09 3.14 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 0.00 112 C 9.14 5.52 0.00 3.11 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 0.00 113 T 9.12 4.46 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 1.51 0.00 0.00 114 F 8.08 3.17 0.00 2.90 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 0.00 0.00 0.00 0.00 115 P 0.00 4.09 0.00 1.90 1.83 0.00 2.55 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 1.48 1.50 0.00 116 G 9.40 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.13 4.08 0.00 3.31 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.29 4.40 0.00 3.92 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 0.00 119 A 8.05 4.11 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 0.00 120 L 7.82 4.44 0.00 1.63 1.66 0.87 0.85 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 M 7.92 4.29 0.00 0.94 1.82 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 122 K 7.98 5.02 0.00 1.89 1.74 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.43 7.81 123 G 9.18 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 0.00 0.00 0.00 0.00 124 T 8.39 4.92 4.28 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 1.24 0.00 0.00 125 L 8.46 5.17 0.00 1.73 1.67 1.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.97 4.75 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 1.24 0.00 0.00 127 L 8.58 5.05 0.00 1.77 1.70 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 128 K 9.04 4.46 0.00 1.85 1.84 0.00 1.29 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.64 7.81