NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3994 8.2649 123.5860 51.3373 22.0494 177.6125 2 K 3.8542 8.2056 113.5224 55.1459 31.1834 175.7617 3 K 4.2354 8.4492 120.2975 56.1428 36.3552 173.2161 4 V 3.9856 8.3142 122.9515 62.4194 31.7028 174.5305 5 Q 4.1159 7.6134 120.1814 54.2924 31.7965 173.5723 6 A 3.9088 8.1531 122.5231 52.7259 18.9554 176.0987 7 Y 4.8426 7.5251 118.0748 57.2071 40.5417 173.6869 8 V 4.7035 8.5508 113.9040 59.3410 35.0647 174.9366 9 K 5.1276 8.2120 122.4462 55.2300 35.1942 175.1099 10 L 4.4672 8.4288 120.5777 54.9975 44.1763 173.6599 11 Q 4.8284 8.7201 119.5698 55.0670 29.7792 174.9482 12 V 4.5261 8.0373 117.0289 58.7227 34.9596 175.7112 13 A 4.3025 8.7603 125.6629 52.0789 18.4744 176.8774 14 A 3.9395 8.2811 121.4177 53.6003 18.6662 179.3136 15 G 3.9376 7.6641 107.5815 41.0000 0.0000 171.8950 16 M 4.1428 7.7243 118.2051 55.7233 35.1822 173.7619 17 A 4.2483 8.5399 127.0576 52.1799 21.8884 174.9703 18 N 4.6277 9.0350 116.9017 52.8369 38.1331 172.9194 19 P 4.3591 0.0000 0.0000 62.7297 31.9954 176.6641 20 S 3.9988 8.7585 116.8821 61.3029 62.5363 173.4900 21 P 4.3576 0.0000 0.0000 65.3746 30.9988 175.9829 22 P 4.4245 0.0000 0.0000 65.0529 33.0420 178.2004 23 V 4.2498 7.7889 107.1090 59.9613 32.9472 181.9402 24 G 3.8978 9.4964 122.0290 46.5637 0.0000 173.2608 25 P 4.1736 0.0000 0.0000 65.9627 31.1797 175.9769 26 A 3.9566 7.8646 118.5259 55.0875 18.5090 178.8169 27 L 4.2757 7.5556 115.6191 56.6021 41.3952 178.9285 28 G 3.6250 8.5004 107.7363 47.9102 0.0000 175.6959 29 Q 4.0275 7.5530 119.6307 59.0002 28.8078 178.5980 30 Q 4.1658 7.6596 117.4291 57.2129 28.6566 177.2701 31 G 3.9699 7.7457 108.1069 45.4118 0.0000 173.9304 32 V 3.8809 7.4269 117.8861 62.4614 32.2851 176.7326 33 N 4.8278 8.8870 123.2436 51.4091 37.2200 175.7135 34 I 3.7096 8.0676 125.9267 64.6978 37.0124 176.7648 35 M 4.0163 8.2200 118.0397 58.8584 31.8578 177.7511 36 E 4.0396 8.2791 118.6185 59.2210 29.7718 178.2828 37 F 4.3556 8.7795 121.0214 61.4595 39.3563 176.4489 38 C 3.9694 8.4291 114.6065 61.6314 28.8145 175.9954 39 K 3.9678 7.8321 120.9706 58.6104 31.6741 178.7609 40 A 4.1195 8.3008 121.6400 55.3386 18.3417 178.9500 41 F 4.2320 8.8924 120.4046 61.3172 39.2023 176.7801 42 N 3.9516 8.2218 115.9972 56.3733 38.1900 176.8818 43 A 3.9905 7.3562 120.9927 55.4041 18.8058 179.2561 44 K 4.0404 7.7244 116.4388 59.0222 32.3184 179.2590 45 T 3.6505 7.6591 116.4583 66.3868 67.9257 176.1568 46 D 4.2790 7.5782 119.8841 57.3227 40.9192 178.5587 47 S 4.1857 7.8068 111.7706 61.4459 62.6169 175.5448 48 I 3.7980 7.5426 121.2820 61.1288 37.2638 176.0431 49 E 5.0338 7.3541 115.4372 55.9655 32.3930 176.1418 50 K 4.4775 8.8254 122.2231 55.7579 34.3826 176.8002 51 G 3.9524 9.0141 109.7366 45.0544 0.0000 173.2210 52 L 4.6140 7.3749 119.0842 51.8559 43.4841 174.2156 53 P 4.3755 0.0000 0.0000 63.2281 31.8201 175.7705 54 I 4.6683 8.2196 125.8428 58.6260 38.9918 173.8229 55 P 4.7882 0.0000 0.0000 62.5680 32.6794 175.5912 56 V 4.8807 9.1202 123.7831 59.8264 35.2130 175.0014 57 V 4.2760 8.0606 121.7914 61.3762 32.7736 174.3761 58 I 4.3849 8.3439 130.3056 61.0820 38.3188 175.3918 59 T 4.7526 9.3843 125.8396 61.9821 69.8831 174.0580 60 V 4.3991 7.6898 127.5918 62.1265 31.8667 174.9658 61 Y 4.8597 8.4281 123.8362 55.8550 40.6846 176.6426 62 A 4.2583 8.5972 122.2762 55.6421 18.7488 178.4968 63 D 4.4712 7.9529 112.9155 54.3411 40.5677 176.7791 64 R 3.7324 7.9041 112.3709 57.0112 29.3204 175.9995 65 S 4.7251 7.9246 113.9534 58.8277 64.8052 172.1278 66 F 5.5528 7.6685 112.9769 57.7910 40.0187 172.4365 67 T 5.3052 8.1792 113.3839 61.1000 71.5596 171.8389 68 F 5.9032 8.4105 116.3960 56.6659 40.8355 173.4398 69 V 4.3125 8.5035 121.6305 61.6054 33.4748 174.3349 70 T 4.7209 8.5560 124.7072 62.1507 69.4571 174.1179 71 K 4.8095 8.3415 126.3321 56.1552 35.5280 176.2277 72 T 4.6908 8.5810 119.3951 60.9851 71.8488 169.8900 73 P 5.1560 0.0000 0.0000 60.7720 34.1521 170.3153 74 P 5.0154 0.0000 0.0000 61.7108 33.3262 172.6063 75 A 4.4738 7.9228 117.7279 53.3008 22.1314 179.3668 76 A 3.8535 7.5024 115.3159 54.6880 19.4667 180.1002 77 V 3.6151 7.7893 110.8692 64.5245 31.6942 178.7046 78 L 4.0643 8.1394 118.9626 57.6121 41.3226 179.4733 79 L 4.1060 7.8456 118.6145 57.2885 41.6833 179.3958 80 K 3.9937 7.9531 118.9427 59.2459 32.1477 179.5336 81 K 3.9970 8.0475 118.8053 59.9439 32.3816 179.1138 82 A 3.9891 7.8659 120.9293 54.6725 18.3865 178.9884 83 A 4.2031 8.3049 118.2090 52.7627 18.7633 178.7339 84 G 3.8231 7.7030 104.6334 45.5587 0.0000 173.4519 85 I 4.3401 7.4152 112.7980 59.3840 39.5946 175.7243 86 K 4.2493 8.5275 119.2521 57.7558 32.8342 176.6166 87 S 4.8493 7.6190 111.4271 56.0385 66.7586 174.0323 88 G 3.9182 8.2299 110.2409 45.9144 0.0000 173.0431 89 S 4.2863 7.9890 111.9404 58.3620 63.1295 175.4244 90 G 4.3691 8.8168 109.4249 45.0003 0.0000 173.7573 91 K 4.6138 7.2246 116.4490 53.9770 32.3326 173.6052 92 P 4.2475 0.0000 0.0000 64.5557 32.5860 176.8966 93 N 4.6945 8.9984 122.4448 54.6183 37.7401 176.2606 94 K 4.0793 8.0522 115.7430 58.7791 32.3417 176.4744 95 D 4.7661 7.7317 115.9102 52.0724 43.5234 174.8642 96 K 4.4491 8.6479 126.3057 56.0186 32.8750 176.7811 97 V 3.9579 8.1241 124.5638 64.9981 32.5750 175.3161 98 G 4.3453 7.6329 105.8204 45.3270 0.0000 171.6916 99 K 5.1418 8.3816 117.5895 55.3993 36.1105 175.8980 100 I 4.7951 8.8916 121.6999 59.4495 41.6046 175.4532 101 S 4.6861 8.5686 120.3341 57.8238 63.9830 175.3661 102 R 3.9116 8.5223 122.1661 59.3889 29.5915 179.0050 103 A 3.9793 7.9190 120.3033 55.3219 18.4991 179.4243 104 Q 4.7348 7.6691 117.3208 58.6050 28.7646 178.7770 105 L 3.9828 7.8156 119.7755 57.9826 41.6113 179.4734 106 Q 3.9457 7.9857 118.8477 59.1461 29.0115 177.8431 107 E 4.7948 7.9189 120.8892 59.2574 29.6263 179.5434 108 I 3.7173 8.2590 119.6254 64.4197 36.8928 178.4362 109 A 4.0613 7.8762 120.8492 54.9856 18.3062 179.5006 110 Q 4.0840 8.2267 117.0222 59.3395 28.5977 178.8456 111 T 3.8656 7.7545 115.5264 66.5582 68.8423 176.2741 112 K 4.2426 8.1492 117.8281 56.8456 32.0840 178.4648 113 A 3.9489 7.4989 121.5620 55.4215 18.1909 179.3205 114 A 4.0762 7.9030 117.7849 55.3519 18.6832 178.8871 115 D 4.5167 7.9321 114.6504 55.2387 41.6928 177.0683 116 M 4.3399 7.5664 119.5459 55.2653 32.5858 176.3869 117 T 4.3132 8.3102 110.5226 61.3018 69.9228 175.3262 118 G 3.7786 8.0984 111.0984 46.4011 0.0000 173.4844 119 A 4.1049 8.6987 126.8805 54.2815 19.1057 177.2097 120 D 5.0497 7.5951 113.4650 51.7289 46.1871 176.8258 121 I 3.7597 8.1547 120.5741 64.5993 36.9893 178.6065 122 E 3.9358 8.1599 118.8071 59.2734 29.3565 178.8258 123 A 3.9659 8.0022 120.4383 55.5370 18.5533 179.2077 124 M 4.0005 7.9269 114.7438 59.0751 31.0204 178.8654 125 T 3.8857 7.8959 116.3663 66.4271 68.3826 176.7813 126 R 4.7487 7.6201 120.3208 58.9440 30.4708 178.9963 127 S 4.2757 8.0907 114.8835 61.7422 62.7689 176.8171 128 I 3.7653 7.8817 122.4085 64.3698 36.7703 178.3307 129 E 4.0997 8.2530 119.7830 59.3130 29.0282 179.5427 130 G 3.6885 7.7061 104.7814 47.9091 0.0000 175.5530 131 T 4.0496 7.8664 111.4068 64.4622 68.8885 176.5707 132 A 3.9832 7.8358 123.3509 55.1012 18.2657 179.8511 133 R 3.8572 7.9351 115.1586 59.2507 30.1697 178.8163 134 S 4.4887 7.6041 112.8120 59.4653 63.4211 174.6297 135 M 4.4972 7.5914 118.0584 54.3899 31.4884 176.1495 136 G 3.6635 8.1019 106.6383 47.0516 0.0000 173.1756 137 L 5.1604 7.9078 120.3885 51.6636 43.2786 177.0542 138 V 3.9788 8.3245 124.2294 62.6259 33.2665 174.7997 139 V 5.4629 8.1575 117.5502 58.8946 34.3493 174.7146 140 E 4.4357 8.7506 126.2302 54.9074 31.0263 175.6060 141 D 4.5715 8.5772 126.0794 54.4790 41.4579 176.0854 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 4.40 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 2 K 8.21 3.85 0.00 1.88 1.63 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.52 7.81 3 K 8.45 4.24 0.00 1.68 1.65 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.26 7.81 4 V 8.31 3.99 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 0.71 0.00 0.00 0.99 0.00 0.00 5 Q 7.61 4.12 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 6 A 8.15 3.91 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 7 Y 7.53 4.84 0.00 2.94 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 8 V 8.55 4.70 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 0.72 0.00 0.00 0.78 0.00 0.00 9 K 8.21 5.13 0.00 1.65 1.66 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.36 7.81 10 L 8.43 4.47 0.00 1.67 1.66 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.72 4.83 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 12 V 8.04 4.53 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 0.74 0.00 0.00 0.23 0.00 0.00 13 A 8.76 4.30 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 14 A 8.28 3.94 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 15 G 7.66 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 16 M 7.72 4.14 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 17 A 8.54 4.25 1.17 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 18 N 9.03 4.63 0.00 2.73 3.32 0.00 0.00 6.93 7.69 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 19 P 0.00 4.36 0.00 2.25 2.16 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 20 S 8.76 4.00 0.00 3.84 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 21 P 0.00 4.36 0.00 2.07 2.10 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 22 P 0.00 4.42 0.00 2.02 2.06 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 2.02 2.10 0.00 23 V 7.79 4.25 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 0.74 0.00 0.00 0.98 0.00 0.00 24 G 9.50 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.17 0.00 2.14 2.12 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 26 A 7.86 3.96 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 27 L 7.56 4.28 0.00 1.59 1.66 0.25 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.50 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.55 4.03 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 30 Q 7.66 4.17 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.03 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 31 G 7.75 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 32 V 7.43 3.88 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 -0.01 0.00 0.00 0.71 0.00 0.00 33 N 8.89 4.83 0.00 3.21 2.93 0.00 0.00 6.92 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 34 I 8.07 3.71 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 1.01 0.00 0.00 35 M 8.22 4.02 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 36 E 8.28 4.04 0.00 2.18 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 2.52 2.43 0.00 37 F 8.78 4.36 0.00 2.86 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 38 C 8.43 3.97 0.00 3.14 3.20 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 39 K 7.83 3.97 0.00 1.91 1.88 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.46 7.81 40 A 8.30 4.12 1.66 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 41 F 8.89 4.23 0.00 1.54 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 42 N 8.22 3.95 0.00 2.68 2.83 0.00 0.00 7.03 7.71 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 43 A 7.36 3.99 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 44 K 7.72 4.04 0.00 1.93 1.76 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 45 T 7.66 3.65 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 0.95 0.00 0.00 46 D 7.58 4.28 0.00 2.62 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 47 S 7.81 4.19 0.00 3.82 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 48 I 7.54 3.80 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.90 0.00 0.00 49 E 7.35 5.03 0.00 2.02 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 0.00 2.04 2.07 0.00 50 K 8.83 4.48 0.00 1.73 1.74 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.54 7.81 51 G 9.01 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 52 L 7.37 4.61 0.00 1.60 1.60 0.96 1.14 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 53 P 0.00 4.38 0.00 1.96 2.05 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 54 I 8.22 4.67 2.13 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 1.06 0.00 0.00 55 P 0.00 4.79 0.00 2.13 2.20 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 56 V 9.12 4.88 2.39 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 0.68 0.00 0.00 1.47 0.00 0.00 57 V 8.06 4.28 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 0.54 0.00 0.00 0.83 0.00 0.00 58 I 8.34 4.38 1.45 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.26 0.00 0.00 59 T 9.38 4.75 4.21 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 1.27 0.00 0.00 60 V 7.69 4.40 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 0.81 0.00 0.00 0.84 0.00 0.00 61 Y 8.43 4.86 0.00 3.09 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 62 A 8.60 4.26 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 63 D 7.95 4.47 0.00 2.78 2.71 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 64 R 7.90 3.73 0.00 2.27 2.09 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 65 S 7.92 4.73 0.00 4.02 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 66 F 7.67 5.55 0.00 2.96 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 67 T 8.18 5.31 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 1.38 0.00 0.00 68 F 8.41 5.90 0.00 3.26 3.02 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 0.00 0.00 0.00 0.00 69 V 8.50 4.31 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 1.00 0.00 0.00 0.93 0.00 0.00 70 T 8.56 4.72 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 1.32 0.00 0.00 71 K 8.34 4.81 0.00 1.64 1.35 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 72 T 8.58 4.69 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 1.23 0.00 0.00 73 P 0.00 5.16 0.00 2.16 2.10 0.00 3.91 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 1.87 1.95 0.00 74 P 0.00 5.02 0.00 2.05 2.05 0.00 3.63 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 1.94 2.05 0.00 75 A 7.92 4.47 1.22 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 0.00 0.00 0.00 76 A 7.50 3.85 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 77 V 7.79 3.62 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 0.97 0.00 0.00 0.93 0.00 0.00 78 L 8.14 4.06 0.00 1.86 1.72 0.97 0.77 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 79 L 7.85 4.11 0.00 1.85 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.95 3.99 0.00 2.00 2.01 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.77 7.81 81 K 8.05 4.00 0.00 2.02 2.06 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.59 7.81 82 A 7.87 3.99 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 83 A 8.30 4.20 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 84 G 7.70 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 85 I 7.42 4.34 1.87 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 1.41 0.70 0.91 0.00 0.00 86 K 8.53 4.25 0.00 1.76 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.44 7.81 87 S 7.62 4.85 0.00 3.81 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 88 G 8.23 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 89 S 7.99 4.29 0.00 3.99 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 90 G 8.82 4.37 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 0.00 91 K 7.22 4.61 0.00 1.88 1.90 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 92 P 0.00 4.25 0.00 2.06 2.20 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 93 N 9.00 4.69 0.00 2.88 2.98 0.00 0.00 7.01 7.61 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 94 K 8.05 4.08 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.58 7.81 95 D 7.73 4.77 0.00 2.58 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 96 K 8.65 4.45 0.00 1.76 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 97 V 8.12 3.96 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 0.72 0.00 0.00 0.96 0.00 0.00 98 G 7.63 4.35 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 0.00 99 K 8.38 5.14 0.00 1.76 1.73 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.45 7.81 100 I 8.89 4.80 1.87 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 1.28 1.07 0.95 0.00 0.00 101 S 8.57 4.69 0.00 4.06 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 0.00 102 R 8.52 3.91 0.00 2.35 1.98 0.00 3.10 0.00 0.00 3.45 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 103 A 7.92 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 7.67 4.73 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.26 0.00 105 L 7.82 3.98 0.00 1.91 1.73 0.92 0.67 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 0.00 106 Q 7.99 3.95 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 107 E 7.92 4.79 0.00 2.23 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 0.00 2.33 2.53 0.00 108 I 8.26 3.72 2.00 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 1.46 1.12 0.91 0.00 0.00 109 A 7.88 4.06 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 0.00 110 Q 8.23 4.08 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 111 T 7.75 3.87 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 1.21 0.00 0.00 112 K 8.15 4.24 0.00 1.82 1.83 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.55 7.81 113 A 7.50 3.95 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 0.00 114 A 7.90 4.08 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 0.00 115 D 7.93 4.52 0.00 2.66 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 0.00 116 M 7.57 4.34 0.00 1.99 1.99 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 2.81 2.47 0.00 117 T 8.31 4.31 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 1.21 0.00 0.00 118 G 8.10 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 0.00 119 A 8.70 4.10 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 0.00 120 D 7.60 5.05 0.00 2.64 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 0.00 121 I 8.15 3.76 1.87 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 1.64 1.04 0.91 0.00 0.00 122 E 8.16 3.94 0.00 2.05 2.00 0.00 0.00 0.00 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 2.44 0.00 123 A 8.00 3.97 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 0.00 124 M 7.93 4.00 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 125 T 7.90 3.89 4.42 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 1.26 0.00 0.00 126 R 7.62 4.75 0.00 1.92 2.00 0.00 3.13 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 127 S 8.09 4.28 0.00 4.06 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 0.00 128 I 7.88 3.77 2.02 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 1.84 1.64 0.91 0.00 0.00 129 E 8.25 4.10 0.00 2.25 2.00 0.00 0.00 0.00 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 2.65 0.00 130 G 7.71 3.69 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 0.00 131 T 7.87 4.05 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 1.25 0.00 0.00 132 A 7.84 3.98 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 0.00 133 R 7.94 3.86 0.00 1.94 2.02 0.00 3.16 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 134 S 7.60 4.49 0.00 3.99 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 0.00 135 M 7.59 4.50 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 136 G 8.10 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 0.00 137 L 7.91 5.16 0.00 1.50 1.61 0.95 1.05 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 0.00 138 V 8.32 3.98 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 0.96 0.00 0.00 0.93 0.00 0.00 139 V 8.16 5.46 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 0.88 0.00 0.00 0.93 0.00 0.00 140 E 8.75 4.44 0.00 2.09 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 2.31 2.38 0.00 141 D 8.58 4.57 0.00 2.67 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