NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.1358 8.2531 123.5668 53.0018 18.2874 175.5997 16 G 4.1642 8.2055 116.1738 45.7565 0.0000 171.2501 17 I 3.5518 7.6177 123.1497 63.4314 38.4335 176.0999 18 T 3.8895 7.6390 116.1535 62.8842 69.1001 174.9429 19 G 3.6417 7.3122 112.5531 45.0901 0.0000 170.8155 20 T 4.9243 7.7337 116.3404 61.6582 70.9450 174.0279 21 W 5.6086 8.9766 124.7664 55.3115 34.1310 173.7878 22 Y 5.8496 9.7657 118.3737 55.5815 42.3368 174.5677 23 N 5.9266 8.9596 119.4797 50.0893 40.3895 175.2951 24 Q 4.1700 8.7302 116.0411 58.3207 28.5785 177.1821 25 L 4.2208 8.3282 118.2406 55.4463 42.1812 177.6585 26 G 4.0781 8.3578 106.6056 45.1043 0.0000 173.6931 27 S 4.6975 8.2473 115.2824 58.4022 64.7733 172.9883 28 T 4.6344 8.7769 119.2810 61.7402 71.1988 173.4560 29 F 4.9216 8.8045 127.8860 56.5669 42.1968 173.2339 30 I 4.5933 8.2214 128.3442 59.4968 38.8099 175.5881 31 V 4.5977 8.0848 125.7355 60.1706 35.4337 174.2903 32 T 4.6696 8.4569 117.6010 61.7353 72.2889 172.6821 33 A 4.7236 8.7099 129.1432 50.1867 20.1239 177.3309 34 G 3.7992 9.5390 112.3727 45.1624 0.0000 174.2769 35 A 4.1986 8.5131 123.0468 53.8566 18.5481 178.1213 36 D 4.5454 8.1065 114.0791 53.0659 40.0330 177.2170 37 G 3.2899 8.3543 108.3627 45.3238 0.0000 172.6709 38 A 5.1081 7.8829 121.1742 50.4790 21.2396 176.8938 39 L 5.2442 8.7738 120.5629 53.1516 45.1311 175.9607 40 T 4.9519 9.0166 112.2190 59.6530 72.8264 174.5654 41 G 4.0729 6.9621 107.6027 46.4177 0.0000 171.1908 42 T 5.2832 7.5931 109.4241 60.2179 72.8000 172.6183 43 Y 5.2527 9.2218 123.9976 55.8737 42.7001 173.7371 44 E 5.2583 9.0239 126.3667 54.5707 32.5743 174.6978 45 S 4.9579 9.3577 121.7294 57.7504 63.4001 173.6675 46 A 4.3622 8.5483 129.3289 53.3675 18.9194 177.1623 47 V 4.3546 7.1778 107.8107 60.1982 35.6223 175.5441 48 G 3.6268 8.4516 108.7337 44.8885 0.0000 174.0844 49 N 4.5440 7.9735 116.2588 51.6828 37.0852 173.5557 50 A 4.9147 7.5381 122.5128 50.7945 22.5018 175.7693 51 E 4.7597 9.6468 117.4897 56.1556 32.9388 177.1756 52 S 3.8143 8.5421 115.2501 58.2478 61.9571 170.1673 53 R 4.9676 8.4348 116.5987 55.8828 31.4408 175.6894 54 Y 4.7663 8.8762 119.4010 55.8942 41.6897 175.4606 55 V 4.3153 8.5451 123.0100 62.9731 32.1836 174.9981 56 L 5.2030 8.7702 125.9234 54.5463 44.4052 175.1366 57 T 4.9151 8.5959 114.0466 61.3400 71.3695 173.0757 58 G 4.6862 9.1549 114.4533 46.1573 0.0000 171.3849 59 R 5.6100 8.9533 117.2545 55.2433 34.9808 174.0286 60 Y 5.2772 8.8398 119.2146 55.4249 41.8947 174.4304 61 D 4.4659 8.9248 120.5099 53.7117 41.5103 176.3941 62 S 4.2736 8.2283 119.4691 58.6282 63.7030 175.1123 63 A 4.6545 8.0768 123.0417 50.7956 19.1679 173.9710 64 P 4.7167 0.0000 0.0000 60.7106 33.0891 176.7552 65 A 4.2101 8.3217 122.7967 52.3685 18.7900 178.5768 66 T 4.2354 8.5375 110.3839 62.4282 68.9597 174.4199 67 D 4.8102 7.7478 123.3815 52.6422 41.7789 177.6645 68 G 4.0743 8.5444 110.4961 46.5747 0.0000 174.1027 69 S 4.3391 7.8341 115.7988 58.0228 63.3710 174.1165 70 G 4.0515 8.3121 109.7406 45.9680 0.0000 173.1832 71 T 4.7853 8.9026 117.0956 61.5104 70.1156 174.7422 72 A 4.8159 8.6722 129.4360 52.3114 19.9802 175.8816 73 L 4.9105 8.8409 120.6053 55.4753 44.7378 173.9623 74 G 5.0914 9.0064 103.6499 45.8689 0.0000 172.6016 75 W 5.8685 8.0747 117.4316 55.5157 31.4972 173.3712 76 T 5.1768 8.9825 117.2215 62.1929 72.2501 173.9262 77 V 4.3380 8.3076 123.0155 61.8820 34.6573 172.9821 78 A 4.4753 8.2948 130.6750 50.1096 19.6507 178.3755 79 W 4.2870 8.3367 125.5633 55.2407 27.4625 175.9281 80 K 5.3082 7.8656 118.6751 55.1323 35.1927 174.4277 81 N 4.8743 8.7616 124.2634 51.9471 39.6493 174.3447 82 N 4.4742 8.3259 117.0143 54.4807 38.4643 174.9831 83 Y 4.7866 8.2407 116.6198 58.9033 40.7067 176.1305 84 R 4.7703 7.9654 115.9301 54.6192 34.3582 173.4471 85 N 5.2682 8.6127 117.5395 52.2768 41.0295 173.9142 86 A 4.3687 9.2927 128.5169 51.6682 20.1395 175.9219 87 H 4.2176 8.8291 113.6014 56.0665 26.7778 173.4697 88 S 5.2655 7.5597 111.5511 57.6388 67.1999 173.7754 89 A 4.9786 9.1535 121.0200 50.8571 22.8218 175.3448 90 T 5.0310 8.5290 117.6638 61.7192 72.2845 173.3134 91 T 4.9405 8.3024 114.5334 59.6526 72.0912 172.5242 92 W 4.9081 8.8061 125.7800 54.7411 31.6643 174.7788 93 S 4.9724 8.5793 119.4102 56.7786 64.5792 172.4487 94 G 4.5178 8.5876 114.5131 46.5299 0.0000 171.7690 95 Q 5.2855 8.4518 118.5860 55.0122 32.6814 173.7173 96 Y 4.9211 9.2099 122.8268 56.6827 41.1882 174.6860 97 V 4.2016 8.3073 125.4139 61.0050 34.3217 175.5871 98 G 3.9826 7.8005 118.6045 43.9744 0.0000 168.6702 99 G 3.7937 8.7677 103.3474 44.1969 0.0000 173.0696 100 A 4.0664 8.8171 121.6265 55.1697 18.5385 179.2632 101 E 4.4101 7.6969 118.2993 54.3532 28.3253 174.7383 102 A 4.4927 7.9747 124.4607 52.0786 19.9941 176.5281 103 R 5.5856 9.1630 119.7305 54.7882 35.5175 174.7149 104 I 4.9908 8.9123 121.3622 59.9160 40.5641 174.1158 105 N 5.3348 8.8672 125.8617 52.2582 39.8374 174.8976 106 T 5.4232 9.2100 113.2029 60.1362 73.3967 172.5954 107 Q 4.8428 9.1269 119.8126 53.8644 33.1125 174.7281 108 W 5.3411 8.0817 119.3576 54.5160 32.4796 174.0748 109 L 5.1689 8.5794 119.1820 53.0005 45.1314 175.5191 110 L 4.9864 9.1166 126.6939 53.8177 44.0918 174.8404 111 T 5.0475 8.9223 124.3974 62.1650 70.5903 174.2221 112 S 5.0903 8.7689 122.6243 56.5544 65.1068 174.4204 113 G 3.9146 8.7810 111.8563 46.5919 0.0000 173.0176 114 T 4.7633 8.1966 113.1721 59.9029 72.4466 173.1505 115 T 4.1501 8.0888 111.7056 60.8369 70.0101 175.2887 116 E 3.9554 8.9650 121.4706 59.9260 29.1325 179.6753 117 A 4.1220 7.4129 119.7306 54.6465 18.7619 178.4266 118 N 4.5471 7.9766 112.0814 53.0591 38.9102 176.6449 119 A 4.0308 7.9281 126.5327 54.3488 18.2094 179.9638 120 W 4.4217 8.3751 113.4773 58.4495 27.9572 176.5950 121 K 4.2117 6.7683 118.6863 56.1454 32.2561 177.1348 122 S 4.2649 7.9456 115.5888 60.3656 63.7759 173.1652 123 T 4.9879 7.6619 117.6201 61.7877 70.6055 173.5714 124 L 4.7745 8.8050 126.9880 53.4182 44.1031 176.0886 125 V 4.4901 7.9455 120.3094 60.3396 34.4333 175.2850 126 G 2.9347 6.5269 108.2870 46.0655 0.0000 170.6886 127 H 5.2927 7.9192 114.3028 54.6584 31.2687 172.8713 128 D 5.2567 9.1918 121.6846 52.7547 44.8647 174.8590 129 T 5.1090 8.8377 117.9613 61.9277 71.6785 172.9947 130 F 5.6206 9.5534 125.3867 56.2211 41.8290 174.7606 131 T 5.2073 9.5760 119.8895 61.7407 71.2205 173.4358 132 K 4.0125 8.0547 127.7338 55.4612 33.1342 176.0308 133 V 4.2552 7.7116 126.2052 59.3758 33.2270 174.9537 134 K 3.6647 8.8108 125.8580 55.9084 31.9472 174.4146 135 P 4.3647 0.0000 0.0000 63.0137 31.1882 176.2631 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 15 A 8.25 4.14 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 16 G 8.21 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.62 3.55 1.33 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.36 0.42 0.00 0.00 18 T 7.64 3.89 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 1.10 0.00 0.00 19 G 7.31 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 20 T 7.73 4.92 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 0.94 0.00 0.00 21 W 8.98 5.61 0.00 3.24 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.77 5.85 0.00 3.03 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 23 N 8.96 5.93 0.00 2.46 1.62 0.00 0.00 6.48 7.40 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 24 Q 8.73 4.17 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 25 L 8.33 4.22 0.00 1.91 1.82 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.36 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 27 S 8.25 4.70 0.00 4.05 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 28 T 8.78 4.63 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 0.92 0.00 0.00 29 F 8.80 4.92 0.00 2.55 2.77 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 30 I 8.22 4.59 1.70 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 1.13 0.75 0.75 0.00 0.00 31 V 8.08 4.60 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 0.00 0.00 0.02 0.00 0.00 0.50 0.00 0.00 32 T 8.46 4.67 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 33 A 8.71 4.72 0.68 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 34 G 9.54 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 35 A 8.51 4.20 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 36 D 8.11 4.55 0.00 2.78 2.77 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 37 G 8.35 3.29 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 0.00 38 A 7.88 5.11 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 39 L 8.77 5.24 0.00 1.64 1.45 0.98 -0.02 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 40 T 9.02 4.95 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 1.20 0.00 0.00 41 G 6.96 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 42 T 7.59 5.28 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 1.21 0.00 0.00 43 Y 9.22 5.25 0.00 3.07 2.87 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 44 E 9.02 5.26 0.00 2.08 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 0.00 2.37 2.54 0.00 45 S 9.36 4.96 0.00 4.09 3.71 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 46 A 8.55 4.36 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 47 V 7.18 4.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.87 0.00 0.00 48 G 8.45 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.97 4.54 0.00 2.61 2.64 0.00 0.00 6.62 7.96 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 50 A 7.54 4.91 1.04 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 0.00 0.00 51 E 9.65 4.76 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 52 S 8.54 3.81 0.00 3.99 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 53 R 8.43 4.97 0.00 1.77 1.90 0.00 3.23 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 54 Y 8.88 4.77 0.00 2.95 2.77 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 55 V 8.55 4.32 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 0.80 0.00 0.00 0.93 0.00 0.00 56 L 8.77 5.20 0.00 2.08 1.79 0.82 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.60 4.92 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 1.26 0.00 0.00 58 G 9.15 4.69 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 0.00 0.00 0.00 59 R 8.95 5.61 0.00 1.78 1.82 0.00 3.42 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 60 Y 8.84 5.28 0.00 3.09 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 61 D 8.92 4.47 0.00 2.88 2.68 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 62 S 8.23 4.27 0.00 3.84 3.37 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 63 A 8.08 4.65 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 64 P 0.00 4.72 0.00 2.14 2.10 0.00 3.79 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 65 A 8.32 4.21 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 66 T 8.54 4.24 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 1.23 0.00 0.00 67 D 7.75 4.81 0.00 2.92 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 68 G 8.54 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 69 S 7.83 4.34 0.00 3.96 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 70 G 8.31 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 71 T 8.90 4.79 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 72 A 8.67 4.82 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.84 4.91 0.00 1.96 1.97 1.20 0.46 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 74 G 9.01 5.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.07 5.87 0.00 3.51 3.27 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 76 T 8.98 5.18 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 1.18 0.00 0.00 77 V 8.31 4.34 1.72 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 -0.43 0.00 0.00 0.99 0.00 0.00 78 A 8.29 4.48 1.19 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 0.00 0.00 79 W 8.34 4.29 0.00 3.40 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 80 K 7.87 5.31 0.00 1.91 1.72 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.48 7.81 81 N 8.76 4.87 0.00 2.48 2.31 0.00 0.00 7.09 7.81 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 82 N 8.33 4.47 0.00 1.87 2.42 0.00 0.00 6.55 7.46 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 83 Y 8.24 4.79 0.00 3.04 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 84 R 7.97 4.77 0.00 2.06 1.91 0.00 3.21 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 85 N 8.61 5.27 0.00 2.63 2.58 0.00 0.00 6.91 7.96 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 86 A 9.29 4.37 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 87 H 8.83 4.22 0.00 3.34 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.56 5.27 0.00 4.02 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 89 A 9.15 4.98 1.15 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 0.00 0.00 90 T 8.53 5.03 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 -0.22 0.00 0.00 91 T 8.30 4.94 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 1.14 0.00 0.00 92 W 8.81 4.91 0.00 1.78 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 0.00 0.00 0.00 93 S 8.58 4.97 0.00 3.82 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 94 G 8.59 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 95 Q 8.45 5.29 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 96 Y 9.21 4.92 0.00 3.01 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 97 V 8.31 4.20 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 0.84 0.00 0.00 0.92 0.00 0.00 98 G 7.80 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 99 G 8.77 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 0.00 0.00 0.00 100 A 8.82 4.07 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 0.00 101 E 7.70 4.41 0.00 1.98 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 0.00 2.24 2.29 0.00 102 A 7.97 4.49 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.16 5.59 0.00 1.80 1.95 0.00 3.41 0.00 0.00 3.52 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 104 I 8.91 4.99 1.86 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.05 1.03 0.00 0.00 105 N 8.87 5.33 0.00 2.71 2.83 0.00 0.00 6.20 8.33 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 0.00 106 T 9.21 5.42 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 107 Q 9.13 4.84 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 108 W 8.08 5.34 0.00 2.68 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 0.00 0.00 0.00 0.00 109 L 8.58 5.17 0.00 1.53 1.53 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.12 4.99 0.00 1.56 1.68 0.98 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.92 5.05 4.23 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 1.19 0.00 0.00 112 S 8.77 5.09 0.00 3.67 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 0.00 113 G 8.78 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 0.00 114 T 8.20 4.76 4.17 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 0.00 0.00 1.20 0.00 0.00 115 T 8.09 4.15 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 1.20 0.00 0.00 116 E 8.97 3.96 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 2.42 2.36 0.00 117 A 7.41 4.12 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 0.00 118 N 7.98 4.55 0.00 2.69 2.64 0.00 0.00 6.82 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.93 4.03 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 0.00 120 W 8.38 4.42 0.00 3.59 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 0.00 121 K 6.77 4.21 0.00 1.15 0.74 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.70 7.81 122 S 7.95 4.26 0.00 4.17 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 0.00 123 T 7.66 4.99 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 1.19 0.00 0.00 124 L 8.80 4.77 0.00 1.80 1.72 0.94 0.48 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 0.00 125 V 7.95 4.49 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 0.55 0.00 0.00 0.65 0.00 0.00 126 G 6.53 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 0.00 127 H 7.92 5.29 0.00 3.19 3.13 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 0.00 128 D 9.19 5.26 0.00 2.96 2.30 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 0.00 129 T 8.84 5.11 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 1.34 0.00 0.00 130 F 9.55 5.62 0.00 3.12 3.33 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 0.00 131 T 9.58 5.21 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 1.29 0.00 0.00 132 K 8.05 4.01 0.00 0.79 0.94 0.00 0.96 0.00 0.00 1.32 0.00 0.00 2.65 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.74 0.21 7.81 133 V 7.71 4.26 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 0.77 0.00 0.00 0.95 0.00 0.00 134 K 8.81 3.66 0.00 1.68 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 135 P 0.00 4.36 0.00 2.15 1.92 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00