NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4477 8.3044 118.1936 54.9872 32.8406 173.6164 2 K 4.5458 8.4379 118.0908 53.6909 35.6434 176.0139 3 I 3.7714 8.6620 123.9055 64.6975 37.8102 177.8266 4 E 4.2183 8.3202 119.4748 59.4415 29.4676 178.4601 5 D 4.4410 8.1403 118.9657 57.1084 40.9427 178.8641 6 I 3.7534 7.7357 120.4995 64.6622 37.1730 177.9873 7 Y 4.3355 8.1005 117.0851 61.3199 37.6898 178.5539 8 Q 4.1174 8.7401 119.3483 58.9289 28.6559 178.5527 9 F 3.9247 8.3130 121.7124 61.2564 39.0919 177.1405 10 F 4.1712 7.7277 115.0854 60.2455 39.0532 177.5838 11 E 4.3678 8.4237 117.3667 57.9586 30.5972 177.0648 12 N 4.8845 8.1707 115.5473 49.5946 39.2788 170.9261 13 P 3.9352 0.0000 0.0000 61.1380 32.1994 174.9098 14 P 4.4228 0.0000 0.0000 61.4605 32.1243 174.2538 15 P 4.3844 0.0000 0.0000 63.3835 32.2922 175.5012 16 T 4.3970 8.3577 118.5972 63.0047 69.8850 173.5430 17 Y 4.6632 8.7387 124.6130 56.8488 38.9121 175.6314 18 L 4.3962 8.7025 125.2737 55.0801 42.6273 177.0265 19 C 4.5249 8.5431 117.2772 56.7925 31.8317 174.3000 20 Q 3.8608 8.6857 119.9362 59.5595 28.4017 178.0886 21 E 3.7466 8.0519 118.8006 59.5101 29.4371 179.5388 22 V 3.5415 7.5729 117.3518 65.7783 31.6925 177.7088 23 A 3.8802 8.1587 120.7948 55.1168 18.1347 179.6289 24 I 3.5454 7.7959 118.3830 64.7995 37.1413 178.5057 25 C 4.1814 7.6278 116.1094 62.7788 27.9647 175.5150 26 Y 2.9905 7.8579 121.2407 60.3326 38.1281 178.1308 27 I 3.0451 7.7388 120.9933 64.2482 37.1930 178.4704 28 L 3.8874 7.7056 119.7280 57.6792 41.1588 178.7967 29 Y 4.1231 7.7592 118.8598 60.7529 38.9526 178.3242 30 V 3.2799 7.3656 118.8482 65.9067 31.6778 178.0706 31 L 4.1687 7.8544 120.2049 57.0536 41.1454 179.4055 32 L 4.0848 7.6810 117.9590 57.1402 41.5666 178.6680 33 Q 4.2302 8.1954 117.0359 55.4028 28.8805 175.4405 34 G 4.3860 6.8327 108.8225 43.0693 0.0000 171.8633 35 E 4.2672 8.1874 119.1124 57.3843 30.1980 176.1341 36 S 4.8936 8.7281 114.8549 57.7568 66.6877 171.4736 37 Y 5.1691 8.0711 116.5016 54.5617 41.3631 176.0209 38 G 3.8910 9.5658 106.7629 48.8062 0.0000 175.8199 39 T 3.9373 8.1286 112.1500 64.2195 68.7005 175.8478 40 E 3.6406 7.1688 121.4852 58.7123 29.0727 178.4253 41 L 3.9103 7.8057 119.2818 57.8094 41.1057 179.7260 42 I 3.6987 7.6025 119.4358 64.4421 37.1529 178.2825 43 Q 3.9606 8.1165 120.4264 59.2720 28.8765 177.9779 44 Q 4.0147 8.7204 120.9138 58.9305 28.9807 178.1331 45 L 3.8648 7.6537 120.5104 58.1573 41.6637 178.6059 46 E 3.9920 7.7974 118.3335 59.5671 29.3016 178.9540 47 T 3.9537 7.7807 115.0135 66.6693 68.6173 176.3065 48 E 4.3388 8.2456 119.4105 57.9703 30.8665 176.8575 49 H 4.9364 8.5734 116.2091 52.4823 29.5548 171.7131 50 P 4.3216 0.0000 0.0000 64.3158 31.8051 177.2728 51 T 4.3227 7.9724 106.7904 61.4165 69.0181 173.2007 52 Y 5.1443 8.0774 118.7970 56.8176 41.8703 174.8706 53 R 4.5146 8.7324 119.0347 54.5242 35.2648 173.9610 54 L 4.9924 8.0357 122.4089 53.2322 44.5121 176.4902 55 S 4.6415 8.8975 120.8671 57.7208 64.4925 174.6263 56 D 4.4051 8.7726 120.6052 57.8612 40.9835 178.7221 57 T 3.9381 7.8979 115.8640 66.7279 68.5067 176.7564 58 V 3.6366 8.1437 120.4046 65.5092 31.4259 177.6163 59 L 3.7468 8.0999 120.4679 58.5539 41.8684 178.5204 60 Y 4.1582 7.9331 115.1880 59.9818 37.9365 178.0772 61 S 4.1682 8.0270 116.6791 61.2960 62.8174 176.3657 62 A 3.9646 8.2191 123.7963 55.1731 18.1441 179.7369 63 I 3.3886 7.8454 118.6365 64.1270 37.1098 178.4954 64 K 3.8701 8.2790 120.6271 59.4515 32.0421 178.3856 65 F 3.9829 8.1293 120.7623 61.3899 39.2353 177.0197 66 L 3.6273 8.1789 118.5772 57.8211 41.4043 179.5139 67 E 3.8411 8.4644 118.8178 59.4420 29.1757 179.0424 68 D 4.3159 8.2160 118.2791 57.0315 40.9317 177.7097 69 N 4.5454 7.4172 113.8507 52.1758 38.7414 175.2528 70 R 3.7018 7.4879 117.8953 57.1849 28.4007 177.1878 71 A 2.5800 7.3791 122.1678 52.9281 19.2911 178.1756 72 I 5.1510 7.1763 107.0687 59.4094 41.2688 174.7329 73 T 4.7111 9.1121 113.3928 59.9028 71.5789 173.1192 74 G 4.4320 8.5383 110.2196 44.9188 0.0000 171.3633 75 Y 4.8353 7.7882 118.0611 55.4918 41.8871 173.2819 76 W 4.9120 8.7504 120.4286 55.5596 30.7036 175.6983 77 K 4.7228 9.2328 126.0037 54.4225 34.5757 174.4610 78 K 4.6128 8.7754 128.6555 55.4381 33.1794 175.6166 79 L 4.5679 8.3253 127.0729 52.8953 43.3652 175.4402 80 E 3.9893 8.5293 123.9273 57.3659 30.0429 177.0602 81 G 3.9968 9.2298 114.8191 44.9580 0.0000 172.9061 82 R 4.6018 7.2771 119.4023 54.1286 32.6593 175.5643 83 G 3.6303 8.8058 114.2951 48.4493 0.0000 174.2085 84 R 3.9484 7.7566 120.6795 54.8936 30.5133 174.1725 85 P 4.7026 0.0000 0.0000 62.7578 32.9464 175.1440 86 R 4.6589 9.2630 120.6005 54.4272 32.8207 174.3963 87 R 3.8112 8.5121 126.8009 55.7845 30.5527 175.1704 88 M 4.5849 7.8392 126.6915 53.8307 35.0273 174.8482 89 Y 5.3230 8.8025 118.4614 56.5139 42.1901 174.7528 90 Q 4.8657 8.9966 120.1604 53.9405 33.6639 174.7893 91 V 4.1247 8.3768 121.9555 62.8823 32.6211 175.9217 92 S 4.2931 9.0134 124.0224 58.1055 63.5024 173.2906 93 P 4.2528 0.0000 0.0000 66.0942 31.1341 178.1685 94 E 4.2181 8.2430 113.6587 57.7369 29.8120 177.8534 95 W 4.4627 8.4097 119.1572 56.4114 29.2459 177.3150 96 Q 3.9936 7.8438 121.8588 59.9414 28.4168 178.3029 97 H 4.3448 8.1078 119.4218 58.8605 30.0551 176.8993 98 Q 3.8636 8.0091 120.5928 59.1311 28.8394 177.8319 99 A 4.2152 8.7616 122.2641 55.2659 18.3311 179.5085 100 E 3.9993 8.2320 117.2770 59.5194 29.2684 179.2830 101 D 4.4514 7.7539 118.2765 57.4175 41.0685 178.5251 102 L 4.1978 8.2379 119.3099 57.6162 41.5834 179.3681 103 A 4.2294 8.5383 121.2904 55.2954 18.2847 179.8943 104 R 3.9517 8.1743 116.6732 59.3310 30.0374 179.2429 105 L 4.0333 7.7685 118.9144 57.3465 41.5119 179.3810 106 W 4.2055 8.0769 127.8094 60.6722 30.8331 177.7821 107 Q 3.4832 8.1324 117.9773 59.0315 28.1279 178.9077 108 N 4.3177 8.2665 117.4073 56.2597 38.4054 176.8136 109 Y 3.9392 8.0349 121.0549 60.8099 38.6894 178.0980 110 I 3.0824 7.1892 118.1655 63.1735 38.0609 177.0683 111 Y 4.0213 7.5281 120.7927 60.7391 38.5057 177.9409 112 V 3.4473 7.5392 117.7056 65.3462 31.5785 177.0553 113 R 4.4034 6.9158 115.6306 55.9782 30.3454 177.2280 114 T 4.5877 7.2145 111.9805 63.9145 73.9436 173.2670 115 N 4.2991 8.1436 125.5823 53.5974 39.1905 173.5409 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 8.30 4.45 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 K 8.44 4.55 0.00 1.82 1.78 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.56 7.81 3 I 8.66 3.77 1.98 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 1.57 1.06 1.15 0.00 0.00 4 E 8.32 4.22 0.00 2.14 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 2.42 2.54 0.00 5 D 8.14 4.44 0.00 2.97 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 6 I 7.74 3.75 1.98 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 1.50 1.01 0.95 0.00 0.00 7 Y 8.10 4.34 0.00 3.25 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 8 Q 8.74 4.12 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 9 F 8.31 3.92 0.00 3.13 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 10 F 7.73 4.17 0.00 3.25 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 11 E 8.42 4.37 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.83 0.00 12 N 8.17 4.88 0.00 2.70 2.66 0.00 0.00 7.01 7.62 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 13 P 0.00 3.94 0.00 1.83 1.69 0.00 3.61 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 14 P 0.00 4.42 0.00 2.22 2.07 0.00 3.00 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 15 P 0.00 4.38 0.00 1.91 1.99 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 16 T 8.36 4.40 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 1.34 0.00 0.00 17 Y 8.74 4.66 0.00 2.85 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 18 L 8.70 4.40 0.00 1.53 1.61 0.55 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.54 4.52 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 20 Q 8.69 3.86 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 21 E 8.05 3.75 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 22 V 7.57 3.54 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 0.99 0.00 0.00 0.45 0.00 0.00 23 A 8.16 3.88 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 24 I 7.80 3.55 1.86 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.88 0.00 0.00 25 C 7.63 4.18 0.00 3.24 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 26 Y 7.86 2.99 0.00 1.43 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 27 I 7.74 3.05 1.82 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.63 0.00 0.00 28 L 7.71 3.89 0.00 1.85 1.74 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.76 4.12 0.00 3.03 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 30 V 7.37 3.28 1.75 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 0.85 0.00 0.00 0.40 0.00 0.00 31 L 7.85 4.17 0.00 1.61 1.65 0.83 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.68 4.08 0.00 1.70 1.69 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.20 4.23 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.14 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 34 G 6.83 4.39 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 0.00 35 E 8.19 4.27 0.00 2.14 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 0.00 2.35 2.40 0.00 36 S 8.73 4.89 0.00 3.84 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 37 Y 8.07 5.17 0.00 3.15 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.57 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 0.00 0.00 0.00 39 T 8.13 3.94 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 1.38 0.00 0.00 40 E 7.17 3.64 0.00 1.16 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 2.13 2.17 0.00 41 L 7.81 3.91 0.00 1.75 1.63 0.69 0.73 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 42 I 7.60 3.70 2.00 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 1.38 1.16 0.94 0.00 0.00 43 Q 8.12 3.96 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 44 Q 8.72 4.01 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 45 L 7.65 3.86 0.00 1.46 1.66 0.34 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.80 3.99 0.00 2.07 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 2.30 2.32 0.00 47 T 7.78 3.95 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 E 8.25 4.34 0.00 2.07 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 0.00 2.39 2.49 0.00 49 H 8.57 4.94 0.00 3.31 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.32 0.00 2.04 2.15 0.00 3.76 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 51 T 7.97 4.32 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 1.14 0.00 0.00 52 Y 8.08 5.14 0.00 2.97 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 53 R 8.73 4.51 0.00 0.67 0.81 0.00 3.05 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.24 0.00 54 L 8.04 4.99 0.00 1.42 1.42 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.90 4.64 0.00 4.16 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 56 D 8.77 4.41 0.00 2.84 2.80 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 57 T 7.90 3.94 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 58 V 8.14 3.64 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 1.11 0.00 0.00 0.98 0.00 0.00 59 L 8.10 3.75 0.00 1.69 1.78 0.54 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.93 4.16 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.03 4.17 0.00 4.05 4.10 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 0.00 0.00 0.00 0.00 62 A 8.22 3.96 1.28 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 0.00 0.00 63 I 7.85 3.39 1.81 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.10 0.70 0.00 0.00 64 K 8.28 3.87 0.00 1.94 2.05 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.47 7.81 65 F 8.13 3.98 0.00 3.19 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 66 L 8.18 3.63 0.00 1.68 1.46 0.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.46 3.84 0.00 1.91 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 2.30 2.48 0.00 68 D 8.22 4.32 0.00 2.60 2.62 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 69 N 7.42 4.55 0.00 2.13 2.64 0.00 0.00 7.06 7.79 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 70 R 7.49 3.70 0.00 2.04 2.02 0.00 3.30 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 71 A 7.38 2.58 -0.29 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 72 I 7.18 5.15 1.95 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.74 0.00 0.00 73 T 9.11 4.71 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 1.21 0.00 0.00 74 G 8.54 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.79 4.84 0.00 3.03 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 76 W 8.75 4.91 0.00 3.23 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 77 K 9.23 4.72 0.00 1.54 1.57 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 78 K 8.78 4.61 0.00 1.81 1.72 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 79 L 8.33 4.57 0.00 1.71 1.52 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.53 3.99 0.00 1.93 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 0.00 2.29 2.30 0.00 81 G 9.23 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 0.00 0.00 0.00 82 R 7.28 4.60 0.00 1.69 1.75 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 83 G 8.81 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 84 R 7.76 3.95 0.00 1.77 1.85 0.00 3.26 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 85 P 0.00 4.70 0.00 2.25 1.99 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 86 R 9.26 4.66 0.00 1.68 1.62 0.00 2.53 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.17 0.00 87 R 8.51 3.81 0.00 0.84 1.45 0.00 2.21 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.63 0.00 88 M 7.84 4.58 0.00 1.63 0.66 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 89 Y 8.80 5.32 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 9.00 4.87 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 91 V 8.38 4.12 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 0.91 0.00 0.00 0.92 0.00 0.00 92 S 9.01 4.29 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.25 0.00 2.21 2.16 0.00 3.64 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 2.14 2.16 0.00 94 E 8.24 4.22 0.00 2.06 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 0.00 2.35 2.30 0.00 95 W 8.41 4.46 0.00 3.53 3.30 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 96 Q 7.84 3.99 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 97 H 8.11 4.34 0.00 3.27 3.26 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.01 3.86 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 1.95 2.64 0.00 99 A 8.76 4.22 1.52 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 0.00 100 E 8.23 4.00 0.00 2.20 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 2.37 2.61 0.00 101 D 7.75 4.45 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.24 4.20 0.00 1.94 1.80 1.16 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.54 4.23 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 3.95 0.00 2.13 2.01 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 105 L 7.77 4.03 0.00 1.89 1.77 0.95 1.14 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 0.00 106 W 8.08 4.21 0.00 3.38 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 0.00 107 Q 8.13 3.48 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.11 2.66 0.00 108 N 8.27 4.32 0.00 2.74 2.87 0.00 0.00 6.68 6.99 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 0.00 109 Y 8.03 3.94 0.00 3.10 2.96 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 0.00 110 I 7.19 3.08 0.56 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.23 0.27 0.00 0.00 111 Y 7.53 4.02 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 3.45 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 0.80 0.00 0.00 1.05 0.00 0.00 113 R 6.92 4.40 0.00 1.55 1.80 0.00 2.71 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.00 114 T 7.21 4.59 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 1.22 0.00 0.00 115 N 8.14 4.30 0.00 2.29 1.77 0.00 0.00 6.99 7.11 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