NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3065 8.3344 116.7876 57.7437 64.8774 174.0286 2 L 4.3455 7.3664 126.1347 50.6091 43.5304 172.8843 3 E 4.2907 9.6574 127.9699 55.3990 32.9346 176.8477 4 A 3.9405 8.4453 121.0323 55.3366 18.3702 179.8104 5 A 3.9413 7.9152 118.6964 55.3805 18.4958 179.7326 6 Q 3.8793 7.9443 116.0231 58.9419 28.8292 178.9769 7 K 3.8008 7.9718 119.4446 59.4333 32.0782 179.2439 8 S 4.0588 8.0837 113.3578 61.4113 62.2879 175.7139 9 N 4.3176 8.2776 119.6700 56.6497 38.7422 176.8643 10 V 3.2934 7.7017 119.5532 66.2544 31.5668 178.1062 11 T 3.9859 7.9720 115.3113 66.7859 68.0551 176.8842 12 S 4.2027 8.3368 117.2778 61.7539 62.9418 177.0046 13 S 4.4663 8.5017 117.0083 61.2397 62.6668 176.2865 14 W 4.3145 8.8383 131.8584 60.2882 30.3575 177.6640 15 A 3.8768 8.1244 120.6153 55.1171 17.4879 179.9156 16 K 3.9313 7.6236 115.5989 59.6463 32.5083 179.2097 17 A 2.9351 7.7178 120.9519 54.6920 17.9522 179.6453 18 S 3.4394 7.4566 111.8021 61.1689 62.1432 176.2153 19 A 4.0140 7.5340 122.1954 53.8906 18.3859 178.3092 20 A 4.5480 7.3570 117.4671 51.7685 19.5517 178.2124 21 W 4.4075 7.9888 129.1279 60.3500 30.3429 178.0176 22 G 3.7394 8.2904 104.9847 47.3669 0.0000 174.5031 23 T 4.3405 7.7048 110.0423 62.8665 70.1432 176.5944 24 A 4.1096 8.4087 124.1719 54.5376 18.3729 179.4347 25 G 2.1133 6.9272 104.6851 47.2649 0.0000 174.1616 26 P 4.3152 0.0000 0.0000 64.8187 31.3350 178.7025 27 E 3.9253 7.4828 117.4959 59.0954 29.3339 178.9537 28 F 3.4571 7.9830 120.9916 61.1099 39.1980 176.9676 29 F 2.7775 7.4848 117.1821 60.6072 38.5693 177.7110 30 M 3.8842 7.7562 117.8288 57.9821 31.6845 178.6433 31 A 3.8667 7.6798 121.0050 54.9297 18.4743 179.3184 32 L 3.6660 7.1477 118.7823 58.4245 41.8296 179.3490 33 F 4.6260 7.5969 116.3918 60.7314 38.8607 177.2013 34 D 4.4483 8.1248 117.7614 57.1745 40.6599 178.2952 35 A 4.3808 7.8817 120.6218 53.6395 19.1393 176.8853 36 H 4.7540 8.5785 114.5516 53.0207 30.5858 173.2884 37 D 4.5450 8.7899 124.9955 57.3395 40.8419 177.5107 38 D 4.5114 8.1630 118.3267 56.0545 39.7269 178.3534 39 V 3.9233 7.9526 120.2065 65.8538 31.5602 177.6320 40 F 3.9470 8.4811 119.7981 61.3379 39.1065 176.4699 41 A 3.8584 8.2296 120.2620 55.3404 17.8528 179.2757 42 K 4.0599 7.7949 114.3019 57.8901 32.4697 178.2468 43 F 4.4845 7.9420 118.3665 57.0303 39.2621 177.2485 44 S 4.1225 7.6517 116.6629 61.5298 62.3107 177.0147 45 G 3.4570 7.8099 108.5653 47.5896 0.0000 175.3757 46 L 3.7823 7.5900 121.8492 57.2199 42.5547 177.3274 47 F 4.7518 8.1548 115.1230 56.5979 39.4050 175.6939 48 S 3.9132 8.5568 116.2050 59.7514 60.4312 173.5716 49 G 3.9180 8.4796 106.1613 45.3833 0.0000 174.2441 50 A 4.1208 7.6617 121.9916 51.7503 19.1534 177.5946 51 A 4.2790 8.3402 123.4879 51.5476 19.4826 178.6002 52 K 2.9689 8.6335 121.9824 59.5641 31.7158 179.5310 53 G 3.6138 7.8573 103.9329 47.0891 0.0000 174.4511 54 T 4.3010 7.5364 109.7146 62.3085 69.6672 176.4377 55 V 3.6925 7.3636 115.4816 62.8207 31.4522 177.6659 56 K 3.7179 7.9850 119.3171 59.3088 31.8929 176.6751 57 N 4.8313 7.9190 112.6708 53.2011 38.9809 175.6210 58 T 4.2349 7.7055 110.7652 60.8640 71.0064 173.5976 59 P 4.3324 0.0000 0.0000 65.9104 31.4125 178.5861 60 E 3.9092 8.2131 118.0158 59.4793 29.4397 178.4460 61 M 4.0619 8.2419 117.9073 58.9227 32.3482 178.1332 62 A 3.9861 7.9503 119.9009 55.1389 18.5554 179.5280 63 A 4.0089 8.0113 119.2213 55.3433 18.4990 179.7090 64 Q 3.9866 8.2924 117.9208 59.1076 29.1452 178.1875 65 A 4.6101 8.3112 122.1631 55.1069 18.4051 179.3740 66 Q 4.2360 8.2243 118.0317 59.2243 28.9713 178.5856 67 S 4.1610 8.2696 116.5268 61.4901 62.9413 176.0588 68 F 4.1401 8.4760 123.3525 61.5104 39.1678 177.1445 69 K 4.0270 8.5245 118.9820 59.4112 31.6775 179.0286 70 G 3.5626 8.0239 105.7558 47.1530 0.0000 175.6544 71 L 3.4998 7.1525 121.1241 57.7516 42.1498 178.7628 72 V 3.1353 6.6348 118.0509 66.1735 31.0203 178.0844 73 S 4.0652 7.7925 114.4815 61.4584 62.4166 176.2272 74 N 4.2121 7.2679 118.5705 56.4836 38.9974 176.6211 75 W 4.4587 7.8429 120.2870 59.9390 28.9193 178.7792 76 V 3.5997 7.6148 116.7728 65.5793 31.0231 177.0157 77 D 4.7072 7.6956 116.4062 55.1236 41.1316 176.1480 78 N 5.1153 7.9749 117.5379 52.8088 39.9782 176.6056 79 L 3.9507 8.1973 120.4565 57.4881 41.8171 177.7977 80 D 4.7256 7.9498 116.2886 53.9965 41.1360 176.3736 81 N 4.8134 7.9086 119.5869 50.3510 39.0346 174.2130 82 A 4.0835 8.3652 125.3035 54.5632 18.5724 179.1766 83 G 3.5771 8.1589 103.4403 47.9796 0.0000 175.6213 84 A 4.0269 8.2140 123.2628 54.7234 18.3815 179.5272 85 L 4.0117 7.9391 117.5266 58.1458 41.7269 179.5633 86 E 4.0725 8.4197 118.5078 59.3896 29.1807 179.7170 87 G 3.6321 7.8656 105.5867 48.0802 0.0000 175.7349 88 Q 4.1282 8.0752 120.7186 58.8521 28.6895 178.7149 89 C 4.5433 8.7946 118.2030 62.7520 28.0506 176.2089 90 K 4.0218 8.1342 121.3361 59.7595 31.8214 179.0939 91 T 3.8933 7.7658 115.9017 66.5276 68.4688 176.2634 92 F 4.2915 8.3875 122.3279 61.4745 39.3606 177.0412 93 A 3.7204 8.4479 120.1013 54.9475 18.3154 179.3769 94 A 3.9114 8.1893 119.3745 55.4902 18.2605 179.6549 95 N 4.2560 8.0097 113.6385 56.8266 38.8821 177.1520 96 H 4.1631 7.9972 117.4631 58.3874 28.7828 177.5954 97 K 3.8193 8.3171 121.6939 59.5119 31.8002 178.4632 98 A 4.2600 7.7170 118.9529 54.0733 18.2774 178.0368 99 R 4.1905 7.6799 115.0983 55.5765 30.4069 177.0041 100 G 3.8507 8.3770 106.2299 46.1341 0.0000 173.6556 101 I 4.1874 7.5145 119.8893 59.9921 38.2894 176.5527 102 S 4.5607 8.3707 119.4527 57.4618 65.7106 175.1641 103 A 4.1549 8.5962 124.6636 55.3761 18.0969 180.3072 104 G 3.6638 8.1269 103.7890 48.1970 0.0000 175.8132 105 Q 4.1075 8.0381 120.3108 58.6178 28.6961 178.7283 106 L 4.1404 7.8793 120.2133 57.8295 41.7099 179.1307 107 E 4.2235 8.5089 119.1012 59.2938 29.5907 178.7103 108 A 4.0686 8.1283 120.7145 55.0494 18.3995 179.4706 109 A 4.0581 7.9365 118.8138 55.5119 18.4472 179.9380 110 F 4.4472 8.3903 116.3716 60.4128 38.9753 177.8605 111 K 4.0605 8.4539 119.4435 59.6559 32.0927 178.9535 112 V 3.7234 8.0378 118.4849 66.0841 31.5138 177.6771 113 L 4.1150 8.5097 120.3390 58.1148 41.6764 179.0897 114 S 4.3780 8.4786 113.8291 61.4802 63.1337 176.4203 115 G 3.8375 8.1497 109.0487 47.5513 0.0000 175.4747 116 F 4.2412 8.6152 123.2074 61.1444 39.3740 176.6533 117 M 4.4248 8.1403 117.0642 56.9140 31.6805 178.4539 118 K 4.3366 7.7646 121.1162 58.9569 31.9516 179.1780 119 S 3.9881 7.5560 114.4163 60.4683 62.5247 174.6158 120 Y 4.2299 7.6562 118.1920 57.5638 37.8626 176.5578 121 G 3.9689 8.1062 106.6900 45.4754 0.0000 174.6683 122 G 3.9687 7.8983 109.0630 45.1698 0.0000 172.6359 123 D 4.8024 8.9490 122.6794 53.1345 42.4299 176.9638 124 E 4.2902 9.0747 128.0784 59.3913 29.7703 178.9176 125 G 3.6169 8.5938 105.8529 47.5113 0.0000 175.6588 126 A 3.9472 8.1502 122.6582 54.7896 18.4848 179.5914 127 W 3.8629 8.3584 117.4593 60.2127 29.1243 178.9548 128 T 3.9709 8.3579 115.5598 66.3964 67.8179 176.7432 129 A 3.9068 7.9502 122.7939 55.0582 18.3425 179.8170 130 V 3.2669 7.5362 116.4851 65.9847 31.4274 178.1461 131 A 3.1529 7.8607 120.6651 54.6697 17.9880 179.8850 132 G 3.3686 7.9282 104.0709 47.7283 0.0000 175.8793 133 A 3.8569 7.6370 122.2355 54.7248 18.6745 179.3458 134 L 3.8294 7.6605 117.7562 58.2428 41.5518 179.7882 135 M 4.1587 8.0218 118.7663 58.2001 31.5640 179.0532 136 G 3.5192 7.5892 105.1284 47.2555 0.0000 175.0827 137 E 4.2440 7.9087 119.6576 58.2580 30.0103 178.5184 138 I 4.0608 7.4510 119.5880 63.9274 37.5227 177.3194 139 E 3.9587 8.3308 120.3509 59.1257 29.2253 177.1272 140 P 4.3810 0.0000 0.0000 64.3738 31.4512 177.0147 141 D 4.8627 8.1685 116.5342 54.1281 41.4416 176.0855 142 M 4.2368 8.0327 125.3895 55.4071 32.2756 175.6656 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 S 8.33 4.31 0.00 3.83 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 2 L 7.37 4.35 0.00 1.50 1.44 0.86 0.47 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 3 E 9.66 4.29 0.00 2.19 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 0.00 2.38 2.44 0.00 4 A 8.45 3.94 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 5 A 7.92 3.94 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 6 Q 7.94 3.88 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 7 K 7.97 3.80 0.00 1.91 1.78 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.46 7.81 8 S 8.08 4.06 0.00 4.00 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 9 N 8.28 4.32 0.00 2.90 2.93 0.00 0.00 6.89 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 10 V 7.70 3.29 1.87 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 0.02 0.00 0.00 -0.11 0.00 0.00 11 T 7.97 3.99 4.40 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 1.27 0.00 0.00 12 S 8.34 4.20 0.00 4.05 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 13 S 8.50 4.47 0.00 4.50 4.40 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 14 W 8.84 4.31 0.00 3.99 3.28 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 15 A 8.12 3.88 1.43 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 16 K 7.62 3.93 0.00 2.07 2.10 0.00 2.05 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.67 7.81 17 A 7.72 2.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.46 3.44 0.00 2.91 3.39 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 19 A 7.53 4.01 1.26 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 0.00 0.00 20 A 7.36 4.55 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 21 W 7.99 4.41 0.00 3.32 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 22 G 8.29 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 0.00 0.00 0.00 23 T 7.70 4.34 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 1.20 0.00 0.00 24 A 8.41 4.11 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 25 G 6.93 2.11 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 0.00 0.00 0.00 26 P 0.00 4.32 0.00 2.09 2.21 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 27 E 7.48 3.93 0.00 2.18 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 0.00 2.34 2.29 0.00 28 F 7.98 3.46 0.00 1.51 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 0.00 0.00 0.00 0.00 29 F 7.48 2.78 0.00 2.81 2.46 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 30 M 7.76 3.88 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.84 0.00 31 A 7.68 3.87 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 32 L 7.15 3.67 0.00 0.75 0.97 0.90 0.55 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 33 F 7.60 4.63 0.00 2.87 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 34 D 8.12 4.45 0.00 2.81 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 35 A 7.88 4.38 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 H 8.58 4.75 0.00 3.27 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.79 4.55 0.00 2.84 2.75 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 0.00 0.00 0.00 38 D 8.16 4.51 0.00 2.94 2.86 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 39 V 7.95 3.92 2.58 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 1.50 0.00 0.00 1.08 0.00 0.00 40 F 8.48 3.95 0.00 3.07 3.22 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 41 A 8.23 3.86 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 42 K 7.79 4.06 0.00 1.70 1.59 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.59 7.81 43 F 7.94 4.48 0.00 2.83 2.79 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 44 S 7.65 4.12 0.00 3.93 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 45 G 7.81 3.46 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 46 L 7.59 3.78 0.00 1.41 1.50 0.77 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.15 4.75 0.00 3.09 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 48 S 8.56 3.91 0.00 4.00 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 49 G 8.48 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 50 A 7.66 4.12 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 51 A 8.34 4.28 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 52 K 8.63 2.97 0.00 0.79 1.33 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.34 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.14 0.75 7.81 53 G 7.86 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 54 T 7.54 4.30 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 1.17 0.00 0.00 55 V 7.36 3.69 1.02 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 0.17 0.00 0.00 0.65 0.00 0.00 56 K 7.98 3.72 0.00 1.64 1.82 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.44 7.81 57 N 7.92 4.83 0.00 2.73 2.80 0.00 0.00 6.92 7.54 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 58 T 7.71 4.23 4.53 0.00 0.00 0.00 0.00 0.00 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 59 P 0.00 4.33 0.00 2.31 2.37 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 60 E 8.21 3.91 0.00 2.26 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 2.56 2.38 0.00 61 M 8.24 4.06 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 62 A 7.95 3.99 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 63 A 8.01 4.01 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 64 Q 8.29 3.99 0.00 2.17 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 65 A 8.31 4.61 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 66 Q 8.22 4.24 0.00 2.42 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 67 S 8.27 4.16 0.00 4.29 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 68 F 8.48 4.14 0.00 3.62 3.67 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 69 K 8.52 4.03 0.00 1.30 1.96 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 70 G 8.02 3.56 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 0.00 71 L 7.15 3.50 0.00 1.33 0.85 -0.01 -0.04 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 72 V 6.63 3.14 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 -0.40 0.00 0.00 -0.03 0.00 0.00 73 S 7.79 4.07 0.00 3.92 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 74 N 7.27 4.21 0.00 2.68 2.59 0.00 0.00 7.28 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 75 W 7.84 4.46 0.00 3.38 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 76 V 7.61 3.60 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 0.87 0.00 0.00 0.68 0.00 0.00 77 D 7.70 4.71 0.00 2.88 2.70 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 78 N 7.97 5.12 0.00 2.83 2.74 0.00 0.00 6.91 6.89 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 79 L 8.20 3.95 0.00 1.56 1.63 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.95 4.73 0.00 2.63 2.65 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 81 N 7.91 4.81 0.00 2.66 2.74 0.00 0.00 7.07 7.25 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 82 A 8.37 4.08 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 83 G 8.16 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.21 4.03 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 85 L 7.94 4.01 0.00 1.90 1.67 0.84 0.77 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 86 E 8.42 4.07 0.00 2.13 2.02 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 2.33 2.32 0.00 87 G 7.87 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 88 Q 8.08 4.13 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 89 C 8.79 4.54 0.00 3.22 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 90 K 8.13 4.02 0.00 2.06 1.95 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 91 T 7.77 3.89 4.48 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 1.26 0.00 0.00 92 F 8.39 4.29 0.00 3.23 3.55 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 0.00 0.00 0.00 0.00 93 A 8.45 3.72 1.44 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 0.00 0.00 94 A 8.19 3.91 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 95 N 8.01 4.26 0.00 2.70 2.82 0.00 0.00 7.14 7.77 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 96 H 8.00 4.16 0.00 2.86 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.32 3.82 0.00 1.93 1.88 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 98 A 7.72 4.26 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 99 R 7.68 4.19 0.00 1.86 1.84 0.00 3.00 0.00 0.00 3.01 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 100 G 8.38 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 0.00 0.00 0.00 101 I 7.51 4.19 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 0.95 0.00 0.00 102 S 8.37 4.56 0.00 4.07 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 0.00 103 A 8.60 4.15 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 0.00 104 G 8.13 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 0.00 105 Q 8.04 4.11 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 106 L 7.88 4.14 0.00 1.97 1.97 0.91 1.03 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 0.00 107 E 8.51 4.22 0.00 2.30 2.27 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 2.40 2.45 0.00 108 A 8.13 4.07 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 0.00 109 A 7.94 4.06 1.47 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 0.00 0.00 110 F 8.39 4.45 0.00 3.36 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 0.00 111 K 8.45 4.06 0.00 2.12 2.09 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.56 7.81 112 V 8.04 3.72 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 0.87 0.00 0.00 1.05 0.00 0.00 113 L 8.51 4.12 0.00 1.93 2.10 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.48 4.38 0.00 4.30 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 0.00 115 G 8.15 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 0.00 0.00 0.00 116 F 8.62 4.24 0.00 3.30 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 0.00 117 M 8.14 4.42 0.00 1.58 1.60 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.44 0.00 118 K 7.76 4.34 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.55 7.81 119 S 7.56 3.99 0.00 3.39 3.24 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 0.00 120 Y 7.66 4.23 0.00 3.07 3.17 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 0.00 121 G 8.11 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 0.00 122 G 7.90 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 0.00 123 D 8.95 4.80 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 0.00 124 E 9.07 4.29 0.00 2.18 2.02 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 2.48 2.52 0.00 125 G 8.59 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 0.00 126 A 8.15 3.95 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 0.00 127 W 8.36 3.86 0.00 3.51 3.39 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 0.00 128 T 8.36 3.97 4.41 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 1.24 0.00 0.00 129 A 7.95 3.91 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 0.00 130 V 7.54 3.27 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 0.75 0.00 0.00 0.60 0.00 0.00 131 A 7.86 3.15 1.07 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 0.00 132 G 7.93 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 0.00 0.00 0.00 133 A 7.64 3.86 1.16 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 0.00 134 L 7.66 3.83 0.00 0.90 1.01 -0.10 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 135 M 8.02 4.16 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 136 G 7.59 3.52 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 0.00 137 E 7.91 4.24 0.00 2.00 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 2.26 2.26 0.00 138 I 7.45 4.06 1.96 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 1.83 0.74 1.07 0.00 0.00 139 E 8.33 3.96 0.00 2.29 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 2.33 2.40 0.00 140 P 0.00 4.38 0.00 2.06 2.10 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 141 D 8.17 4.86 0.00 2.73 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 0.00 142 M 8.03 4.24 0.00 1.98 1.96 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 2.57 2.83 0.00