NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4421 8.1627 120.6130 55.5477 34.4565 172.6657 2 V 3.9235 8.3073 118.0304 62.7226 31.7092 175.7146 3 I 4.1966 9.2679 131.7335 63.7633 38.2230 175.7482 4 A 4.6572 7.7011 121.2648 51.0165 22.5974 174.8094 5 T 4.8436 8.4311 117.2633 61.7273 71.0700 173.7931 6 I 4.4678 8.6595 127.3948 59.2154 40.1262 175.1429 7 Q 4.4935 8.7625 126.7476 55.8320 29.1333 177.3931 8 A 4.5426 9.2293 126.4942 54.5732 18.5903 178.7419 9 E 4.2021 8.5301 111.5649 58.4624 30.1571 176.3344 10 D 4.8289 8.0144 120.3224 54.7582 41.3312 176.3588 11 H 4.5474 7.8603 114.1712 55.3000 29.6456 175.3069 12 S 4.4896 8.5315 116.5086 60.6953 63.8311 173.6992 13 Q 4.8171 7.9500 120.2387 55.1044 32.6802 172.8412 14 Q 4.3916 7.9612 119.6059 55.1186 32.1146 173.4089 15 S 3.8728 7.6144 113.8825 57.6280 65.2422 174.7782 16 G 4.2009 9.4257 114.8515 46.4182 0.0000 171.9186 17 T 4.8545 7.8673 109.1935 59.9605 72.0459 172.9632 18 Q 4.5965 8.4847 120.5385 54.6478 32.7228 173.6021 19 Q 4.8688 8.7194 126.6483 56.4357 30.1949 174.4568 20 E 4.8555 8.9273 120.9636 55.2026 33.5549 174.3382 21 T 4.5195 8.5554 117.7163 64.0840 69.1404 173.7688 22 T 5.0157 8.4536 120.6704 60.5783 69.5441 174.0300 23 T 4.4577 8.7384 116.5708 61.2969 69.4496 174.4479 24 D 4.4458 7.8060 122.6173 54.2565 41.6729 175.5251 25 T 3.9307 8.3346 118.8770 65.8054 68.6062 174.6874 26 G 3.9163 8.8261 114.9951 43.9066 0.0000 175.5469 27 G 3.6314 8.6810 108.2347 48.7486 0.0000 172.5612 28 G 4.0393 8.6990 107.9195 45.6479 0.0000 172.9744 29 K 5.2688 8.4227 122.7943 54.4118 36.1860 174.5981 30 N 5.2839 9.2126 119.2939 50.9914 41.4262 173.2574 31 V 4.3376 8.9254 120.3126 62.5396 33.3852 175.2570 32 G 4.0413 8.7590 114.1528 44.8446 0.0000 170.9731 33 Y 3.5865 7.1958 113.1440 58.8165 35.3280 171.1389 34 I 4.1663 6.9222 119.4541 60.2686 38.8794 175.5065 35 D 4.8630 8.8325 123.4368 51.7717 45.0502 174.6650 36 A 4.4284 8.5599 123.0805 54.4511 18.4867 177.4924 37 G 4.1742 8.9525 111.5327 45.4253 0.0000 173.9535 38 D 4.7920 8.0558 119.3653 54.4199 42.1742 175.5105 39 W 5.7802 8.1754 116.5575 55.6899 32.3208 173.2643 40 L 5.0093 9.5285 120.3038 53.1022 45.2436 175.4722 41 S 4.9691 9.2100 118.7900 56.2952 64.9354 173.9927 42 Y 4.8674 8.7420 124.4646 57.6833 38.4172 177.9945 43 A 4.0429 7.9575 125.6671 55.1055 18.5669 180.4276 44 G 3.8118 8.2085 104.3393 47.7298 0.0000 174.0906 45 T 4.5868 7.5483 110.0491 58.4877 68.2302 171.5093 46 P 4.5750 0.0000 0.0000 63.5360 32.7578 175.5664 47 V 4.4390 8.6312 122.8788 61.1146 34.3883 173.7066 48 N 5.1289 8.7728 126.2260 52.6540 40.1574 173.8175 49 I 4.3495 8.5375 128.0320 59.0475 38.2742 175.2510 50 P 4.3316 0.0000 0.0000 65.2189 31.7407 176.6146 51 S 4.7110 7.5598 110.0776 56.7781 65.8297 174.4119 52 S 4.6072 8.6897 119.1798 57.9409 63.6642 175.5293 53 G 3.7574 7.9117 110.6774 45.5307 0.0000 170.6134 54 S 4.8469 8.0368 116.2545 58.2377 63.2670 174.5430 55 Y 4.6757 9.0699 124.2566 55.9950 41.9914 174.1203 56 L 4.9017 8.7376 125.2007 54.0109 43.9697 175.0262 57 I 4.5141 8.5689 127.8528 59.5872 39.2678 174.4999 58 E 5.1264 8.8633 126.6976 54.6994 32.7145 174.6453 59 Y 4.8761 8.7523 120.2247 56.1748 42.0408 174.4948 60 R 4.4281 8.2198 125.1193 55.1435 30.9815 175.4085 61 V 5.4853 9.0500 119.5171 59.7480 36.3830 174.7408 62 A 4.6219 8.3204 122.4472 49.4459 22.8074 175.4036 63 S 4.3580 8.5750 115.2275 57.3416 65.7973 174.9800 64 Q 3.3369 7.1672 128.7988 58.6161 28.7995 176.3499 65 N 4.6184 7.3917 110.4650 51.8089 40.3647 175.8612 66 G 3.6583 8.0147 107.7940 44.7822 0.0000 173.6186 67 G 3.9174 7.9148 104.3699 44.8838 0.0000 174.1545 68 G 4.2332 7.6988 107.0556 46.6884 0.0000 172.7511 69 S 5.0126 8.5542 113.2491 56.9799 66.7551 173.2624 70 L 5.3990 8.3999 120.7412 54.5333 44.5733 174.9414 71 T 5.0746 9.0708 116.4973 61.8406 71.4413 172.9395 72 F 5.5399 9.4408 129.7524 56.9807 41.4474 174.5088 73 E 4.7939 8.3538 122.7926 55.4268 33.5022 173.6942 74 E 4.5343 8.5903 118.6215 55.3913 30.9959 176.9100 75 A 4.0563 8.5739 126.4131 54.1621 18.7995 177.7156 76 G 3.8291 8.3814 110.8097 44.4842 0.0000 173.9332 77 G 3.9347 7.2928 106.3206 44.8547 0.0000 173.8123 78 A 4.7691 7.4284 119.9942 49.6533 22.2862 174.4385 79 P 4.4252 0.0000 0.0000 62.6448 33.1001 175.4212 80 V 4.0588 8.1777 121.4409 63.2030 31.7689 175.2585 81 H 4.7657 8.8722 125.1733 57.4728 30.0537 175.2975 82 G 4.3144 7.4402 103.4292 46.3002 0.0000 172.0994 83 T 5.3406 8.6019 109.2703 60.0344 72.2541 173.1697 84 I 4.4543 8.0982 121.3514 59.5868 41.8111 173.5942 85 A 4.5262 8.4293 130.5144 51.5757 18.8535 176.6749 86 I 4.1726 8.1877 122.8458 58.7176 38.9635 173.9867 87 P 4.6489 0.0000 0.0000 61.7252 32.5362 176.1771 88 A 4.0738 8.4359 124.0821 52.7108 18.7096 177.6902 89 T 4.3092 8.3485 111.5396 60.3119 70.2668 174.8248 90 G 3.8806 8.2448 109.8458 45.6449 0.0000 173.6703 91 G 3.7335 7.1090 106.9512 44.7552 0.0000 174.2311 92 W 4.3474 8.5776 119.0867 58.8621 29.1114 177.1595 93 Q 4.3899 7.8470 116.5676 55.7098 29.6268 175.0075 94 T 4.4197 7.3152 115.4718 61.8013 69.4552 173.6336 95 W 5.1773 8.5711 126.3482 55.4103 31.4799 175.4241 96 T 4.7780 8.9760 116.6305 61.1666 71.1838 172.1682 97 T 5.0079 8.5089 121.9716 61.8337 70.2637 174.1149 98 I 4.7184 8.5070 120.0702 59.4822 40.9154 174.3084 99 Q 5.3067 8.3444 119.2086 55.7427 31.3709 172.7963 100 H 5.1141 9.2399 115.6210 54.8901 32.6641 171.8771 101 T 5.1041 8.4097 108.6585 60.4846 70.8082 174.1536 102 V 4.6563 8.5027 115.2860 59.8805 36.7581 173.6264 103 N 5.2820 8.7869 121.0779 52.9825 40.1698 174.2090 104 L 5.0404 9.0841 125.2685 52.7581 45.7665 176.3180 105 S 4.7998 8.8648 117.2913 57.8462 64.1293 173.8469 106 A 4.1778 8.4483 124.0026 53.3351 19.0606 176.3179 107 G 3.6127 8.3856 105.6421 43.8647 0.0000 172.2341 108 S 4.7039 8.4217 114.4748 58.2147 63.1306 174.2025 109 H 4.7366 9.1677 124.0834 53.8873 32.3221 173.0924 110 Q 4.6367 8.5090 120.9323 54.2935 30.6982 175.1348 111 F 5.2091 8.6410 123.2207 56.9405 41.3187 175.1872 112 G 4.7675 9.2837 107.1944 45.1351 0.0000 171.5120 113 I 5.5190 9.3012 121.1775 59.2346 41.0417 174.4500 114 K 5.1707 9.1919 127.9214 54.5331 34.8942 174.6277 115 A 5.0213 9.2778 130.3023 52.0520 18.9742 177.6597 116 N 4.6913 9.2305 120.7697 55.3057 40.0230 175.8624 117 A 4.6792 7.9871 119.0383 50.7183 22.9053 177.1478 118 G 4.3447 8.0269 109.9960 44.3739 0.0000 175.1001 119 G 4.4510 9.9789 113.2602 44.7602 0.0000 172.8755 120 W 5.6866 7.4127 114.3963 54.9859 31.6576 173.6837 121 N 5.2809 9.5787 118.1937 51.5557 41.8003 173.5728 122 L 5.4318 8.8579 122.5069 54.1284 45.0095 176.1400 123 N 4.5151 9.5789 126.0589 55.3150 40.1973 174.4035 124 W 5.5930 7.1740 113.0606 55.8729 31.6927 172.7260 125 I 5.1292 9.1323 120.7567 59.5646 40.7803 174.8484 126 R 5.0078 8.9269 125.0613 54.6944 33.6995 173.6250 127 I 4.8095 8.7053 126.9697 59.7106 39.5713 174.4461 128 N 5.5552 9.0542 123.7099 51.0326 42.5863 174.4270 129 K 4.3268 8.9032 121.5618 56.6233 33.2417 177.4929 130 T 4.0777 7.8780 110.9755 61.8440 68.9012 174.2969 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 8.16 4.44 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 2 V 8.31 3.92 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 0.76 0.00 0.00 0.94 0.00 0.00 3 I 9.27 4.20 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.96 0.00 0.00 4 A 7.70 4.66 1.23 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 0.00 0.00 5 T 8.43 4.84 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 0.82 0.00 0.00 6 I 8.66 4.47 1.69 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.51 0.00 0.00 7 Q 8.76 4.49 0.00 2.23 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 8 A 9.23 4.54 1.56 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 0.00 0.00 0.00 9 E 8.53 4.20 0.00 2.28 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 2.32 2.31 0.00 10 D 8.01 4.83 0.00 3.01 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 11 H 7.86 4.55 0.00 3.29 2.84 0.00 5.71 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 12 S 8.53 4.49 0.00 3.96 4.09 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 13 Q 7.95 4.82 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 14 Q 7.96 4.39 0.00 1.70 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.48 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 15 S 7.61 3.87 0.00 2.72 2.63 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 16 G 9.43 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.87 4.85 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 1.09 0.00 0.00 18 Q 8.48 4.60 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 19 Q 8.72 4.87 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 20 E 8.93 4.86 0.00 2.10 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 0.00 2.40 2.37 0.00 21 T 8.56 4.52 4.29 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 1.30 0.00 0.00 22 T 8.45 5.02 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 1.13 0.00 0.00 23 T 8.74 4.46 4.34 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 1.29 0.00 0.00 24 D 7.81 4.45 0.00 1.58 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 0.00 0.00 0.00 0.00 25 T 8.33 3.93 4.29 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 1.23 0.00 0.00 26 G 8.83 3.92 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 0.00 0.00 0.00 27 G 8.68 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 28 G 8.70 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 0.00 0.00 0.00 29 K 8.42 5.27 0.00 1.77 1.79 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.37 7.81 30 N 9.21 5.28 0.00 3.08 2.92 0.00 0.00 6.84 7.24 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 31 V 8.93 4.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.10 0.00 0.00 32 G 8.76 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 0.00 0.00 0.00 33 Y 7.20 3.59 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 34 I 6.92 4.17 1.16 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 0.18 0.00 0.00 35 D 8.83 4.86 0.00 2.63 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 0.00 0.00 0.00 0.00 36 A 8.56 4.43 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 37 G 8.95 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 0.00 0.00 0.00 0.00 38 D 8.06 4.79 0.00 2.70 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 39 W 8.18 5.78 0.00 3.55 3.15 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 40 L 9.53 5.01 0.00 1.81 1.48 1.20 0.97 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 41 S 9.21 4.97 0.00 4.00 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 42 Y 8.74 4.87 0.00 3.49 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 43 A 7.96 4.04 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 44 G 8.21 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 45 T 7.55 4.59 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 1.30 0.00 0.00 46 P 0.00 4.58 0.00 1.93 1.97 0.00 3.64 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 2.02 2.20 0.00 47 V 8.63 4.44 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 1.12 0.00 0.00 1.10 0.00 0.00 48 N 8.77 5.13 0.00 2.77 2.71 0.00 0.00 7.03 7.94 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 49 I 8.54 4.35 1.95 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.62 0.00 0.00 50 P 0.00 4.33 0.00 2.24 2.23 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 51 S 7.56 4.71 0.00 4.06 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 0.00 52 S 8.69 4.61 0.00 3.94 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 53 G 7.91 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 54 S 8.04 4.85 0.00 3.86 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 55 Y 9.07 4.68 0.00 3.00 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 56 L 8.74 4.90 0.00 1.74 1.51 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.57 4.51 1.44 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.32 -0.30 0.00 0.00 58 E 8.86 5.13 0.00 1.90 1.88 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 2.23 2.22 0.00 59 Y 8.75 4.88 0.00 2.78 2.73 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 60 R 8.22 4.43 0.00 0.67 0.66 0.00 3.11 0.00 0.00 2.76 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.24 0.00 61 V 9.05 5.49 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 0.69 0.00 0.00 0.89 0.00 0.00 62 A 8.32 4.62 -0.19 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 63 S 8.58 4.36 0.00 3.84 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 64 Q 7.17 3.34 0.00 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 65 N 7.39 4.62 0.00 2.60 2.71 0.00 0.00 6.91 7.65 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 66 G 8.01 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 0.00 0.00 0.00 67 G 7.91 3.92 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 0.00 0.00 0.00 68 G 7.70 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 0.00 0.00 0.00 0.00 69 S 8.55 5.01 0.00 3.81 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 70 L 8.40 5.40 0.00 1.98 1.67 0.67 0.13 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 71 T 9.07 5.07 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 1.29 0.00 0.00 72 F 9.44 5.54 0.00 3.25 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 73 E 8.35 4.79 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 74 E 8.59 4.53 0.00 2.04 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 2.34 2.40 0.00 75 A 8.57 4.06 1.25 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 0.00 0.00 0.00 76 G 8.38 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 77 G 7.29 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 0.00 0.00 0.00 78 A 7.43 4.77 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 79 P 0.00 4.43 0.00 2.14 2.19 0.00 3.67 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 2.12 1.99 0.00 80 V 8.18 4.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 81 H 8.87 4.77 0.00 3.38 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.44 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.60 5.34 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 1.25 0.00 0.00 84 I 8.10 4.45 1.35 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.03 0.27 0.00 0.00 85 A 8.43 4.53 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 86 I 8.19 4.17 1.34 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 0.47 0.30 0.69 0.00 0.00 87 P 0.00 4.65 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 88 A 8.44 4.07 1.13 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 0.00 0.00 0.00 89 T 8.35 4.31 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 1.13 0.00 0.00 90 G 8.24 3.88 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 0.00 0.00 0.00 91 G 7.11 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.58 4.35 0.00 3.24 3.05 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 93 Q 7.85 4.39 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 94 T 7.32 4.42 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 1.24 0.00 0.00 95 W 8.57 5.18 0.00 3.27 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 96 T 8.98 4.78 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 1.18 0.00 0.00 97 T 8.51 5.01 4.29 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 1.25 0.00 0.00 98 I 8.51 4.72 1.84 0.00 0.00 0.62 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 0.87 0.86 0.00 0.00 99 Q 8.34 5.31 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 100 H 9.24 5.11 0.00 3.21 3.36 0.00 5.24 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.41 5.10 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 0.00 102 V 8.50 4.66 2.31 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 0.74 0.00 0.00 1.06 0.00 0.00 103 N 8.79 5.28 0.00 2.79 2.78 0.00 0.00 6.79 7.78 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 0.00 104 L 9.08 5.04 0.00 1.49 1.33 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.86 4.80 0.00 3.91 3.92 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 0.00 106 A 8.45 4.18 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 0.00 107 G 8.39 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.42 4.70 0.00 3.85 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 0.00 109 H 9.17 4.74 0.00 2.43 1.80 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.51 4.64 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 111 F 8.64 5.21 0.00 3.24 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 0.00 112 G 9.28 4.77 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 0.00 113 I 9.30 5.52 2.30 0.00 0.00 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 1.64 1.39 1.28 0.00 0.00 114 K 9.19 5.17 0.00 1.96 1.75 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.53 7.81 115 A 9.28 5.02 1.51 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 0.00 116 N 9.23 4.69 0.00 2.69 2.93 0.00 0.00 6.80 6.70 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 0.00 117 A 7.99 4.68 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 0.00 118 G 8.03 4.34 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 0.00 119 G 9.98 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 7.41 5.69 0.00 3.45 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 0.00 121 N 9.58 5.28 0.00 2.60 3.15 0.00 0.00 6.70 6.42 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 0.00 122 L 8.86 5.43 0.00 2.24 1.72 1.30 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 123 N 9.58 4.52 0.00 1.76 2.07 0.00 0.00 6.31 7.80 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 0.00 124 W 7.17 5.59 0.00 3.44 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 0.00 125 I 9.13 5.13 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.54 0.00 0.00 126 R 8.93 5.01 0.00 1.86 1.90 0.00 3.14 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 127 I 8.71 4.81 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.42 0.88 0.00 0.00 128 N 9.05 5.56 0.00 2.58 2.65 0.00 0.00 6.64 8.69 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 0.00 129 K 8.90 4.33 0.00 1.70 1.65 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.48 7.81 130 T 7.88 4.08 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 1.12 0.00 0.00