NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4526 8.3049 118.1930 54.7008 32.3831 174.8408 2 M 4.0197 8.1233 118.7169 55.1756 32.3612 176.0862 3 N 4.1035 8.8003 118.7688 53.3776 39.7362 171.1539 4 E 3.4067 7.8387 126.4659 55.2574 28.7214 172.4072 5 K 5.1964 8.2646 127.0183 54.8434 36.2179 174.9192 6 I 5.3106 9.3810 125.5839 59.6133 42.2706 173.9690 7 L 5.2002 8.9634 125.6588 53.6697 45.2813 175.2386 8 I 4.3953 8.9008 128.4920 59.9358 38.8273 174.9061 9 V 4.9959 8.7803 130.0299 60.9138 30.6256 173.1871 10 D 5.0549 8.0192 123.2657 52.0337 44.4529 175.2339 11 D 4.5213 8.9134 124.0502 56.7174 42.2710 177.6616 12 Q 4.1725 8.0400 119.9415 54.1166 25.6265 175.6551 13 Y 4.4000 8.0035 122.2302 60.3530 38.0447 178.1740 14 G 3.5650 7.5519 107.3297 47.9557 0.0000 175.0801 15 I 3.7626 7.6215 121.7803 63.4657 37.2246 178.6001 16 R 3.8827 7.8241 119.8566 59.3170 30.0048 178.4584 17 I 3.9318 8.2256 113.1033 63.6327 37.7277 177.0692 18 L 3.8216 8.2934 122.8508 58.4780 41.7840 178.7649 19 L 3.2941 8.3516 118.6332 58.0077 41.6130 178.4955 20 N 4.4019 8.1946 118.1161 56.5605 38.6256 176.4279 21 E 3.8800 8.7991 119.5859 59.3793 29.4047 179.5075 22 V 3.4434 7.4820 118.0670 66.3709 31.4556 178.2329 23 F 4.3631 7.4282 117.1768 60.2214 38.7570 177.1238 24 N 5.2680 8.4236 118.5968 56.2769 38.4511 176.5938 25 K 3.9162 8.1576 119.5909 59.7644 32.4867 178.2417 26 E 4.1979 7.9988 118.4367 58.4235 29.1519 177.3269 27 G 3.4560 7.4193 110.3163 46.1859 0.0000 173.0789 28 Y 4.2559 8.2796 121.3865 58.1932 39.0468 175.8754 29 Q 4.8129 9.7213 125.6661 55.6054 27.8811 173.7911 30 T 4.9793 8.2230 112.9963 60.5574 71.4779 174.0168 31 F 4.8872 9.4140 124.2607 55.4486 42.3518 174.1060 32 Q 4.7759 8.8653 122.6924 55.7249 29.5664 175.1158 33 A 4.8783 9.4931 126.2097 50.0585 21.5933 176.3499 34 A 4.9764 9.1721 123.7310 52.2087 19.8774 176.7865 35 N 5.1783 7.6092 112.9424 50.1946 41.8340 175.4837 36 G 3.8985 8.6043 107.0067 47.4971 0.0000 175.9935 37 L 4.0923 7.8351 121.1284 57.5806 41.8179 178.8220 38 Q 3.9499 7.9981 118.8709 59.1328 29.0666 178.0470 39 A 3.9881 8.4826 122.0749 55.0605 18.4557 179.1629 40 L 3.8737 8.1523 119.2741 58.4559 42.1221 178.7360 41 D 4.3192 8.4046 118.1796 57.3698 41.1338 178.3104 42 I 3.6279 8.1498 120.5731 64.3859 37.1351 178.5373 43 V 3.5266 8.1786 119.4681 66.3491 31.1444 177.9311 44 T 3.9205 7.8554 111.5327 64.0275 67.1861 175.9247 45 K 4.1324 7.7286 120.1293 58.8288 33.3304 177.2845 46 E 4.1269 8.3108 117.7958 55.3652 31.7882 175.8875 47 R 3.8128 7.8312 114.9984 56.1680 27.0096 174.4968 48 P 4.4994 0.0000 0.0000 63.0572 32.8118 176.7234 49 D 4.6659 8.8404 120.2104 55.5536 42.7654 176.2163 50 L 4.9598 7.9380 118.5550 52.8768 44.5734 175.9652 51 V 4.5677 8.6540 125.6743 61.0728 33.7945 174.9504 52 L 4.9738 9.2162 130.2010 53.5466 41.7730 175.8335 53 L 4.5674 8.2478 124.2970 53.4871 42.2846 175.4774 54 D 4.7722 9.2766 125.5486 54.4683 41.4147 176.2027 55 M 4.0546 8.7740 125.5486 56.1258 32.0102 178.1784 56 K 4.0109 7.8621 118.8077 58.7009 32.5991 177.5037 57 I 4.6386 7.8448 109.8235 61.2822 42.9463 174.8186 58 P 4.3403 0.0000 0.0000 64.7696 31.4425 175.4866 59 G 4.0326 7.7030 109.9702 45.9806 0.0000 172.7641 60 M 4.8300 7.7663 116.9277 52.0530 35.8630 174.3864 61 D 4.5951 8.5832 122.0105 54.1969 42.6450 178.0082 62 G 3.8042 8.6681 109.8105 46.6976 0.0000 175.9898 63 I 3.7157 7.5457 122.2576 64.6540 37.4360 177.9779 64 E 3.9666 8.0877 118.8281 59.3808 29.3227 179.3974 65 I 3.8284 7.8062 120.2795 63.9984 37.1603 178.3572 66 L 4.0361 8.1940 121.5950 58.5952 40.2346 179.5090 67 K 4.0135 8.4523 120.3535 59.5215 32.8290 179.4563 68 R 3.9317 8.0431 117.6195 58.9755 29.3373 178.2222 69 M 4.2658 8.1957 116.5163 56.8180 31.3789 178.3786 70 K 4.1384 7.9292 119.8215 59.0043 32.3596 179.0655 71 V 3.8292 7.6966 119.3758 64.3943 31.6408 178.1279 72 I 4.2110 7.5640 112.4306 62.5512 38.6476 176.0605 73 D 4.5531 7.9357 119.9216 53.7399 42.8751 175.2980 74 E 4.3193 8.4248 120.5124 56.9783 29.8244 177.8316 75 N 4.3933 7.9403 118.2150 56.1283 39.3394 174.8958 76 I 4.3365 7.4793 118.0836 60.8437 39.2344 174.6652 77 R 4.9074 9.1013 121.8249 54.8406 33.7088 173.9166 78 V 4.8086 8.3277 110.2272 59.7404 36.3021 175.3254 79 I 4.9561 9.0104 124.5989 58.4854 36.7609 174.6997 80 I 4.3425 7.6259 118.3298 61.2887 39.6157 175.8426 81 M 5.1443 9.1813 124.8889 54.2872 34.2093 175.0449 82 T 4.9540 8.9491 116.7772 59.1759 71.7807 173.7755 83 A 4.2650 8.6548 127.9773 52.2264 17.1466 177.0832 84 Y 3.6556 8.3304 115.2475 58.9317 37.2453 168.1370 85 G 3.5367 8.1298 106.3744 45.9520 0.0000 174.2549 86 E 4.2514 8.0838 117.5985 55.9985 30.1292 178.4821 87 L 3.4353 8.0245 120.5423 55.7661 42.9684 175.2066 88 D 4.4335 9.0992 120.2504 56.0447 40.7898 175.7819 89 M 4.0339 5.8600 118.4125 58.6729 32.1954 177.5698 90 I 3.6591 7.8801 119.8504 64.4537 37.3225 178.3454 91 Q 3.9524 7.8722 118.1280 59.1442 28.7038 178.3963 92 E 3.9501 8.2368 120.0745 60.0687 29.7066 177.9021 93 S 4.0716 8.5016 115.3056 61.5144 62.6951 176.3157 94 K 4.5090 8.0182 121.8058 59.9685 32.2381 178.7600 95 E 3.9011 8.0259 119.3077 59.0063 29.5940 178.3076 96 L 4.3722 8.2096 116.9541 55.1322 42.3569 176.9928 97 G 3.9212 6.8633 116.7982 45.2923 0.0000 172.3139 98 A 4.5471 7.5106 125.5697 51.8276 19.2483 178.6864 99 L 3.9353 8.9140 124.5804 57.4321 41.8306 177.6781 100 T 4.4461 7.5228 106.8379 59.8991 72.5880 172.4755 101 A 5.6386 7.9963 124.7734 49.4422 19.0429 175.4681 102 F 4.5255 8.3330 119.1237 57.4996 40.8440 174.7076 103 A 5.8301 8.4198 123.8230 49.5060 22.0346 175.4111 104 K 4.1292 9.1710 115.1723 59.3823 31.9848 176.3010 105 P 4.4791 0.0000 0.0000 62.0179 30.0929 174.8132 106 F 5.1994 7.9060 119.1580 55.0589 40.3705 175.5920 107 D 4.3209 9.5033 123.6094 54.5525 41.6409 176.4374 108 I 3.7542 8.1424 123.6728 63.5561 38.3482 175.0555 109 D 4.4512 7.8788 118.4000 57.1905 41.0666 177.7713 110 E 4.0394 8.2433 117.7410 59.1735 29.6124 179.1395 111 I 3.4386 7.4773 120.7465 63.9518 37.4077 178.2403 112 R 4.3572 8.2579 117.1031 59.3249 29.2942 178.3782 113 D 4.3286 8.9386 119.0819 56.9715 41.2527 178.0215 114 A 4.1498 8.2820 121.2550 55.4525 18.5106 180.0047 115 V 3.6105 7.9230 110.8779 64.3328 31.2911 178.5775 116 K 4.1602 8.0400 118.4819 59.5951 32.2625 178.7837 117 K 4.1103 8.1839 116.9793 59.1681 32.4845 177.8213 118 Y 4.5954 7.8157 117.6533 58.8995 38.8306 175.3378 119 L 4.4634 8.5611 122.8927 53.0896 43.1586 172.1262 120 P 4.6827 0.0000 0.0000 61.1221 32.3068 174.4110 121 L 4.4157 8.2864 124.6881 55.8004 43.6197 176.2956 122 K 4.3422 7.3254 115.5607 57.5957 34.8961 177.6694 123 S 3.9052 8.7753 113.9328 58.2532 65.5805 174.8078 124 N 4.3001 9.9599 122.5257 53.8039 36.5708 174.1896 125 L 4.4611 8.5668 131.9206 56.1150 45.3069 172.6483 126 E 4.2837 7.7069 118.2001 55.1109 30.5550 176.0620 127 H 4.0505 8.2664 121.4660 55.5748 27.8968 174.3350 128 H 4.7038 8.8150 117.1478 54.9674 28.2225 173.0080 129 H 5.1174 8.1036 119.3060 53.2569 31.6670 173.8374 130 H 4.2079 8.9890 118.1358 59.6247 29.7754 175.6064 131 H 4.3920 8.1292 114.8620 55.8816 29.2758 175.0774 132 H 4.4162 8.7424 118.5945 56.2701 28.6066 175.4379 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 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 2 M 8.12 4.02 0.00 2.17 2.01 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 2.69 2.62 0.00 3 N 8.80 4.10 0.00 2.69 2.86 0.00 0.00 6.97 7.66 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 4 E 7.84 3.41 0.00 1.63 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 0.00 1.47 1.47 0.00 5 K 8.26 5.20 0.00 2.12 1.65 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.89 7.81 6 I 9.38 5.31 1.93 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.05 0.99 0.00 0.00 7 L 8.96 5.20 0.00 1.69 1.49 1.02 1.47 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 8 I 8.90 4.40 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.94 0.00 0.00 9 V 8.78 5.00 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 0.93 0.00 0.00 0.95 0.00 0.00 10 D 8.02 5.05 0.00 2.78 2.43 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 11 D 8.91 4.52 0.00 2.69 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 12 Q 8.04 4.17 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 13 Y 8.00 4.40 0.00 3.22 3.25 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 14 G 7.55 3.57 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 0.00 0.00 0.00 15 I 7.62 3.76 2.19 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 1.49 0.52 0.71 0.00 0.00 16 R 7.82 3.88 0.00 2.08 2.05 0.00 3.13 0.00 0.00 3.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 17 I 8.23 3.93 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.03 1.07 0.00 0.00 18 L 8.29 3.82 0.00 1.71 1.77 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.35 3.29 0.00 1.74 1.59 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.19 4.40 0.00 3.01 2.81 0.00 0.00 6.75 7.18 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 21 E 8.80 3.88 0.00 2.11 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 2.29 2.33 0.00 22 V 7.48 3.44 1.54 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 0.81 0.00 0.00 0.84 0.00 0.00 23 F 7.43 4.36 0.00 3.12 2.90 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 24 N 8.42 5.27 0.00 3.01 2.98 0.00 0.00 6.69 7.57 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 25 K 8.16 3.92 0.00 2.02 1.94 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 26 E 8.00 4.20 0.00 2.34 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 2.46 2.81 0.00 27 G 7.42 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 28 Y 8.28 4.26 0.00 3.29 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 29 Q 9.72 4.81 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 30 T 8.22 4.98 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 1.56 0.00 0.00 31 F 9.41 4.89 0.00 2.95 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 32 Q 8.87 4.78 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 33 A 9.49 4.88 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 34 A 9.17 4.98 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 35 N 7.61 5.18 0.00 2.88 2.89 0.00 0.00 6.23 6.96 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 36 G 8.60 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 37 L 7.84 4.09 0.00 1.68 1.73 0.92 0.89 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 38 Q 8.00 3.95 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 39 A 8.48 3.99 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 40 L 8.15 3.87 0.00 1.85 1.77 0.91 1.10 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 41 D 8.40 4.32 0.00 2.80 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 42 I 8.15 3.63 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.92 1.02 0.00 0.00 43 V 8.18 3.53 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 0.96 0.00 0.00 1.03 0.00 0.00 44 T 7.86 3.92 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 1.25 0.00 0.00 45 K 7.73 4.13 0.00 1.85 2.07 0.00 1.78 0.00 0.00 1.48 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.01 7.81 46 E 8.31 4.13 0.00 1.72 1.81 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 1.47 1.47 0.00 47 R 7.83 3.81 0.00 1.95 2.00 0.00 3.41 0.00 0.00 3.44 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 48 P 0.00 4.50 0.00 2.06 2.18 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 49 D 8.84 4.67 0.00 2.72 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 50 L 7.94 4.96 0.00 1.39 1.31 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.65 4.57 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 1.01 0.00 0.00 0.96 0.00 0.00 52 L 9.22 4.97 0.00 1.68 1.71 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.25 4.57 0.00 1.55 1.63 0.92 0.94 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 54 D 9.28 4.77 0.00 2.73 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 55 M 8.77 4.05 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 56 K 7.86 4.01 0.00 2.14 1.83 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.76 1.55 7.81 57 I 7.84 4.64 1.88 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 1.30 0.41 0.92 0.00 0.00 58 P 0.00 4.34 0.00 2.08 2.37 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 59 G 7.70 4.03 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 0.00 0.00 0.00 60 M 7.77 4.83 0.00 1.93 1.89 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 2.47 2.55 0.00 61 D 8.58 4.60 0.00 2.72 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 62 G 8.67 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 63 I 7.55 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.68 0.97 0.00 0.00 64 E 8.09 3.97 0.00 1.97 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 2.39 2.34 0.00 65 I 7.81 3.83 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.11 0.95 0.00 0.00 66 L 8.19 4.04 0.00 1.85 2.02 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.45 4.01 0.00 1.98 2.09 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.66 1.47 7.81 68 R 8.04 3.93 0.00 2.08 2.23 0.00 2.92 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.00 69 M 8.20 4.27 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 70 K 7.93 4.14 0.00 1.89 1.89 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.59 7.81 71 V 7.70 3.83 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 0.81 0.00 0.00 0.92 0.00 0.00 72 I 7.56 4.21 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.63 0.95 0.00 0.00 73 D 7.94 4.55 0.00 2.80 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 0.00 0.00 0.00 0.00 74 E 8.42 4.32 0.00 1.95 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 2.34 2.23 0.00 75 N 7.94 4.39 0.00 2.66 2.84 0.00 0.00 7.03 8.19 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 76 I 7.48 4.34 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.96 0.00 0.00 77 R 9.10 4.91 0.00 1.85 1.91 0.00 2.71 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.45 0.00 78 V 8.33 4.81 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 0.77 0.00 0.00 0.93 0.00 0.00 79 I 9.01 4.96 1.85 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 0.78 1.42 1.12 0.00 0.00 80 I 7.63 4.34 1.93 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 1.32 1.40 0.88 0.00 0.00 81 M 9.18 5.14 0.00 1.95 2.29 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 82 T 8.95 4.95 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 1.29 0.00 0.00 83 A 8.65 4.26 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 84 Y 8.33 3.66 0.00 3.06 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 85 G 8.13 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.08 4.25 0.00 1.97 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 2.34 2.35 0.00 87 L 8.02 3.44 0.00 1.83 1.65 0.90 0.86 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 88 D 9.10 4.43 0.00 2.81 2.42 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 89 M 5.86 4.03 0.00 2.03 2.11 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 2.60 0.00 90 I 7.88 3.66 1.84 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 1.62 1.35 0.85 0.00 0.00 91 Q 7.87 3.95 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 92 E 8.24 3.95 0.00 2.03 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 2.29 2.34 0.00 93 S 8.50 4.07 0.00 4.03 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 94 K 8.02 4.51 0.00 1.96 2.03 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.48 7.81 95 E 8.03 3.90 0.00 2.03 2.16 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 2.31 2.39 0.00 96 L 8.21 4.37 0.00 1.84 1.68 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 97 G 6.86 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 98 A 7.51 4.55 1.27 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 0.00 0.00 99 L 8.91 3.94 0.00 0.99 0.68 0.35 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.52 4.45 3.40 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 1.04 0.00 0.00 101 A 8.00 5.64 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.33 4.53 0.00 3.03 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 0.00 103 A 8.42 5.83 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 0.00 104 K 9.17 4.13 0.00 1.80 1.97 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.54 7.81 105 P 0.00 4.48 0.00 2.22 2.05 0.00 3.77 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 2.14 1.73 0.00 106 F 7.91 5.20 0.00 3.06 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 0.00 107 D 9.50 4.32 0.00 2.80 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 0.00 108 I 8.14 3.75 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.26 0.92 0.00 0.00 109 D 7.88 4.45 0.00 2.87 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 0.00 110 E 8.24 4.04 0.00 2.44 2.32 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 2.53 2.44 0.00 111 I 7.48 3.44 1.92 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 -0.30 0.49 0.72 0.00 0.00 112 R 8.26 4.36 0.00 2.60 2.40 0.00 2.92 0.00 0.00 3.53 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 113 D 8.94 4.33 0.00 2.89 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 0.00 114 A 8.28 4.15 1.81 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 0.00 115 V 7.92 3.61 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 -0.07 0.00 0.00 0.87 0.00 0.00 116 K 8.04 4.16 0.00 1.89 2.10 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 117 K 8.18 4.11 0.00 1.81 1.89 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.30 7.81 118 Y 7.82 4.60 0.00 3.27 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 0.00 119 L 8.56 4.46 0.00 1.65 1.74 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.68 0.00 2.24 2.23 0.00 3.80 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 1.93 1.94 0.00 121 L 8.29 4.42 0.00 1.44 1.92 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.33 4.34 0.00 2.00 1.76 0.00 1.96 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.39 7.81 123 S 8.78 3.91 0.00 4.31 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 0.00 124 N 9.96 4.30 0.00 2.84 2.43 0.00 0.00 6.67 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 0.00 125 L 8.57 4.46 0.00 1.57 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.71 4.28 0.00 1.91 1.77 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 2.16 2.28 0.00 127 H 8.27 4.05 0.00 3.34 3.40 0.00 5.86 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.82 4.70 0.00 3.13 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.10 5.12 0.00 3.29 3.32 0.00 5.53 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 0.00 130 H 8.99 4.21 0.00 3.16 3.42 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.13 4.39 0.00 3.36 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.74 4.42 0.00 3.13 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00