NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2352 8.3645 123.5792 51.9871 20.2457 178.2811 3 E 4.3500 7.9621 109.6226 54.8970 29.8990 176.6848 4 G 3.9353 8.9582 105.8193 47.7610 0.0000 174.5246 5 G 4.0086 8.5366 108.2912 45.3566 0.0000 175.0150 6 A 4.2433 7.2779 120.6681 51.5030 18.9392 177.0844 7 A 4.0266 7.7137 122.5150 51.9525 19.1269 178.1768 8 D 4.4697 8.2436 120.1980 53.2237 41.4730 177.7884 9 L 3.7897 8.1262 120.0459 57.8294 41.6086 179.3282 10 D 4.3008 7.9352 118.3999 57.8379 40.7636 179.0073 11 T 3.9337 8.0164 115.9496 66.5261 68.4339 176.8417 12 Q 3.7248 7.8854 119.9433 58.8583 28.6645 178.7437 13 R 4.2216 8.0485 119.5470 59.6719 30.2334 178.3517 14 S 4.1520 8.2170 112.6354 61.6035 62.4029 175.8031 15 D 4.5400 8.7448 121.8957 57.6835 40.6194 179.0181 16 I 3.9550 8.5273 120.0867 64.2274 36.9419 178.0629 17 A 4.5092 8.6688 121.1576 55.9451 18.5008 179.6317 18 T 4.1035 8.0259 113.3933 66.9217 68.6399 177.1193 19 L 4.1464 8.2289 122.3169 57.2118 41.3741 179.3717 20 L 4.2230 8.4145 118.6853 57.4345 41.6674 178.7502 21 K 4.5437 7.8686 115.4592 55.3067 32.9934 176.9980 22 T 3.9943 7.6753 117.7311 63.8716 68.9841 173.5556 23 S 4.3412 8.7291 120.7860 58.2107 63.0883 173.5827 24 L 4.2868 8.3026 127.3393 54.4947 42.3815 176.4352 25 R 4.5498 8.3525 121.9022 53.7995 32.9618 174.1030 26 K 4.1131 8.7797 125.8092 58.5707 32.3480 176.3684 27 G 4.0410 8.9944 115.2783 45.2416 0.0000 173.5283 28 D 4.6504 8.0630 119.5826 54.8983 42.0077 175.4016 29 T 4.9353 8.4985 117.6757 62.0339 70.7097 173.9368 30 W 5.1070 9.1541 125.7418 55.0173 33.4485 173.9986 31 Y 4.7903 9.0583 118.3952 56.1082 41.0853 175.0972 32 L 4.8116 8.1803 123.5955 54.2235 43.0143 176.4812 33 V 4.6037 8.7507 123.1749 60.6465 34.5742 174.1773 34 D 5.0044 9.7340 128.3258 55.1096 41.6500 177.7618 35 S 4.3380 9.2719 121.2052 61.5549 63.1565 177.1287 36 R 4.0409 8.5719 122.0200 58.6561 29.8254 178.5563 37 W 4.0209 8.5776 127.7498 60.5629 30.7368 177.5960 38 F 4.3077 8.9930 120.8788 61.2860 38.8444 176.9125 39 K 3.8877 8.7364 119.7810 59.4322 31.8595 178.6318 40 Q 3.7599 7.8071 119.4871 58.6946 28.9802 177.7665 41 W 3.5685 7.4294 129.3859 60.2003 30.4937 177.9328 42 K 3.2828 7.9947 118.5698 59.1976 31.5347 179.4242 43 K 3.8200 7.7723 118.5338 59.6419 32.0179 178.6377 44 Y 4.0497 7.9439 119.9216 60.2518 38.4171 177.7333 45 V 3.7156 7.0384 109.9328 59.7844 32.2842 175.8178 46 G 3.6452 7.4394 106.2046 46.2350 0.0000 174.2065 47 F 3.8240 8.2968 122.4833 59.0144 40.2956 174.4418 48 D 4.2259 8.1666 127.6214 54.5796 39.3371 173.1457 49 S 4.6730 7.3136 110.8004 56.8096 66.1161 173.1700 50 W 4.5100 9.0072 135.0000 60.8092 30.7922 177.2574 51 D 3.9233 8.1236 116.2152 55.1534 40.7540 176.4175 52 K 3.7343 8.4371 118.1332 56.6279 30.3399 174.3661 53 Y 4.4016 7.9694 117.9652 59.5061 39.2013 176.0663 54 Q 3.9657 8.3706 123.3382 56.2832 26.6014 172.8439 55 M 4.0626 7.5181 118.4411 57.0750 32.3444 176.8553 56 G 3.5901 8.3862 113.8803 45.4928 0.0000 173.6121 57 D 4.4886 7.9504 121.0769 54.2152 41.4774 177.6017 58 Q 4.1066 8.8409 122.6769 59.0474 28.9004 177.9751 59 N 4.6115 8.0995 112.4670 54.0992 37.7486 175.6349 60 V 4.1171 7.4590 111.2197 60.8296 31.2107 175.2820 61 Y 2.8432 7.5954 122.8810 57.2428 38.6902 175.3182 62 P 3.7977 0.0000 0.0000 62.9551 31.8573 177.1730 63 G 4.1292 6.2990 106.0843 43.6768 0.0000 170.9935 64 P 5.0376 0.0000 0.0000 62.1702 31.9834 176.9208 65 I 2.0000 8.3969 124.3624 61.7941 38.0936 174.3878 66 D 4.8825 7.9940 126.1546 52.5664 43.0872 174.4434 67 N 4.9224 9.5279 123.8197 52.9557 39.1249 177.6490 68 S 4.1733 8.6729 116.9362 61.1773 63.0735 176.7374 69 G 3.7697 8.1726 108.7058 47.5666 0.0000 173.7956 70 L 4.4559 8.2801 119.3570 54.8429 42.4718 175.7149 71 L 5.1947 7.2830 118.7200 52.5105 43.8052 176.7391 72 K 4.3314 9.1727 123.1620 56.0699 32.7222 176.7732 73 D 4.4524 8.5683 123.6123 53.9990 40.4449 176.0841 74 G 3.8659 8.9308 107.3102 45.3007 0.0000 173.2033 75 D 4.2410 7.9746 116.0469 56.6715 40.0496 174.6773 76 A 4.2222 7.5125 123.6726 51.4204 19.4585 177.0743 77 Q 4.0933 8.4501 123.4474 56.0122 29.8686 175.4962 78 S 4.5428 8.2333 119.1199 56.7677 66.0388 172.5764 79 L 4.4527 8.5138 129.9596 54.6361 42.3862 176.6204 80 K 4.0583 8.8668 126.4043 56.9799 32.7648 176.7035 81 E 4.1398 8.7080 121.6851 56.9976 30.4510 176.7055 82 H 4.4450 8.6016 114.1627 56.7289 26.2333 175.4288 83 L 4.4988 7.3851 118.9446 54.7728 42.1976 176.6493 84 I 4.5438 8.8924 122.8708 58.9778 39.9565 174.9824 85 D 3.3700 8.3204 124.3326 55.3361 41.7132 175.3255 86 E 4.2418 8.5981 130.1997 57.2282 28.9340 176.3114 87 L 4.1331 7.7235 116.1243 57.5818 42.1131 177.5104 88 D 4.9851 8.3812 118.0614 55.4535 43.0616 176.0386 89 Y 5.5759 7.1895 114.5632 55.6410 41.8923 173.8313 90 I 4.8804 9.0404 113.4561 59.1052 41.3517 173.9616 91 L 5.4299 8.5104 121.9498 53.1246 43.9336 176.1151 92 L 4.9819 8.9455 122.8012 52.0544 45.9071 174.8648 93 P 3.2848 0.0000 0.0000 61.5815 32.5476 177.2384 94 T 3.9640 7.7141 115.0480 67.1792 68.2229 176.3455 95 E 3.9246 8.0312 120.3900 59.0891 29.6691 178.9757 96 G 3.4234 7.7502 105.3646 47.2477 0.0000 175.2232 97 W 4.0017 8.2084 131.2743 60.3895 30.5514 177.7840 98 N 3.8955 8.1807 116.5468 55.9674 37.8802 177.6122 99 K 3.0485 7.4850 119.7747 59.0539 31.9097 179.4013 100 L 4.0069 7.0547 119.1237 57.6218 41.3754 179.8058 101 V 3.0669 6.9064 118.1230 65.8264 31.1544 178.0201 102 S 3.9293 7.5181 111.9103 61.0257 62.1902 175.7217 103 W 4.5443 7.6493 120.6286 58.6352 29.2777 177.2578 104 Y 4.7060 8.2954 115.0207 55.8036 39.4044 175.5768 105 T 3.6761 7.5943 112.0965 60.6023 70.0052 170.1152 106 L 4.5395 7.9450 123.6226 53.6999 43.2870 175.8184 107 M 4.1347 8.8148 126.3642 55.9056 33.3120 175.0841 108 E 3.9903 8.7226 126.2603 57.7041 30.2997 177.1517 109 G 3.9917 9.2616 113.9517 45.4091 0.0000 172.9769 110 Q 4.8455 7.4701 117.9176 54.0440 31.3340 174.7581 111 E 4.7910 8.9126 120.0004 53.6414 32.1158 174.6815 112 P 4.2164 0.0000 0.0000 63.1877 32.0890 176.8647 113 I 4.1392 7.5754 121.7263 59.8645 37.6161 173.5384 114 A 4.2351 7.9055 128.0068 50.1756 20.3946 176.2932 115 R 4.5491 8.6083 120.3029 54.2959 34.8333 174.6511 116 K 4.8652 8.3801 120.4192 55.2382 34.1154 176.4208 117 V 3.8332 8.4764 123.7474 62.7395 32.5724 175.4921 118 V 4.8178 8.2340 119.6679 59.5403 35.6196 174.5503 119 E 4.3877 8.6002 121.2296 54.9941 30.3655 175.5597 120 Q 4.5211 8.4761 125.2677 53.7275 30.7188 175.1416 121 G 3.8112 8.5883 114.9685 45.8105 0.0000 172.4602 122 M 4.8281 8.3230 122.1754 53.4436 36.1527 174.2274 123 F 4.7998 8.8153 123.2805 56.6703 40.6839 175.2204 124 V 4.3408 7.6969 120.1894 59.1400 34.7755 174.6403 125 K 4.3605 8.0791 121.5380 54.8901 34.0720 174.9548 126 H 4.9726 8.2530 121.5874 53.8735 32.8750 172.9911 127 C 4.2640 8.5212 119.8529 60.2107 28.5719 173.4200 128 K 4.4280 8.0127 122.5496 55.0035 34.6776 175.2506 129 V 3.5708 8.2786 125.8908 62.6464 31.5646 175.5036 130 E 4.2180 8.5611 129.2363 55.4069 28.5698 175.9355 131 V 3.5407 8.2776 126.4067 64.8121 31.9863 175.7993 132 Y 4.6280 7.5799 116.9197 55.9534 39.2461 175.5640 133 L 4.3799 8.5966 123.9126 55.1013 41.7962 176.8946 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 2 A 8.36 4.24 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 3 E 7.96 4.35 0.00 1.98 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 2.24 1.94 0.00 4 G 8.96 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 5 G 8.54 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 0.00 0.00 0.00 6 A 7.28 4.24 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 7 A 7.71 4.03 0.92 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 8 D 8.24 4.47 0.00 2.86 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 9 L 8.13 3.79 0.00 1.47 1.43 0.45 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.94 4.30 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 3.93 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 1.33 0.00 0.00 12 Q 7.89 3.72 0.00 2.16 2.38 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 1.16 1.96 0.00 13 R 8.05 4.22 0.00 1.82 2.14 0.00 2.98 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 14 S 8.22 4.15 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.74 4.54 0.00 3.19 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.53 3.95 2.62 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 2.21 1.05 1.08 0.00 0.00 17 A 8.67 4.51 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 18 T 8.03 4.10 4.50 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 1.29 0.00 0.00 19 L 8.23 4.15 0.00 1.81 1.68 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.41 4.22 0.00 1.99 1.96 1.31 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.87 4.54 0.00 2.00 1.95 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.80 7.81 22 T 7.68 3.99 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 1.36 0.00 0.00 23 S 8.73 4.34 0.00 3.90 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 24 L 8.30 4.29 0.00 1.55 1.38 0.60 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.35 4.55 0.00 1.89 2.03 0.00 3.28 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 K 8.78 4.11 0.00 1.74 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 27 G 8.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.06 4.65 0.00 3.08 2.87 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 0.00 0.00 0.00 29 T 8.50 4.94 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 0.79 0.00 0.00 30 W 9.15 5.11 0.00 3.07 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 31 Y 9.06 4.79 0.00 2.59 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 0.00 0.00 0.00 32 L 8.18 4.81 0.00 1.29 1.41 0.67 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.75 4.60 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 1.15 0.00 0.00 1.09 0.00 0.00 34 D 9.73 5.00 0.00 2.99 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 35 S 9.27 4.34 0.00 4.18 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.57 4.04 0.00 2.13 2.08 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 37 W 8.58 4.02 0.00 3.49 3.47 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 38 F 8.99 4.31 0.00 3.50 3.35 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 39 K 8.74 3.89 0.00 1.97 1.81 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 40 Q 7.81 3.76 0.00 2.19 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 41 W 7.43 3.57 0.00 1.90 2.56 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 42 K 7.99 3.28 0.00 1.80 1.73 0.00 1.49 0.00 0.00 1.07 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.76 1.06 7.81 43 K 7.77 3.82 0.00 1.86 1.75 0.00 1.77 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.56 7.81 44 Y 7.94 4.05 0.00 3.04 2.81 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 45 V 7.04 3.72 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 0.18 0.00 0.00 -0.17 0.00 0.00 46 G 7.44 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 0.00 0.00 0.00 47 F 8.30 3.82 0.00 2.59 2.81 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 48 D 8.17 4.23 0.00 2.54 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 49 S 7.31 4.67 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 9.01 4.51 0.00 3.30 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 51 D 8.12 3.92 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.44 3.73 0.00 1.73 1.70 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.37 7.81 53 Y 7.97 4.40 0.00 2.79 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 54 Q 8.37 3.97 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 55 M 7.52 4.06 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 56 G 8.39 3.59 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 0.00 57 D 7.95 4.49 0.00 2.85 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 58 Q 8.84 4.11 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 59 N 8.10 4.61 0.00 2.82 2.93 0.00 0.00 5.89 7.68 0.00 0.00 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 V 7.46 4.12 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 0.60 0.00 0.00 1.12 0.00 0.00 61 Y 7.60 2.84 0.00 2.63 2.76 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 62 P 0.00 3.80 0.00 0.49 1.17 0.00 2.43 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.87 0.00 63 G 6.30 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 5.04 0.00 2.02 2.08 0.00 3.92 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 65 I 8.40 2.00 1.42 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.30 0.42 0.00 0.00 66 D 7.99 4.88 0.00 2.85 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 67 N 9.53 4.92 0.00 2.88 2.79 0.00 0.00 6.44 7.49 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 68 S 8.67 4.17 0.00 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.17 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.28 4.46 0.00 1.76 1.69 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.28 5.19 0.00 1.54 1.55 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 K 9.17 4.33 0.00 1.67 1.73 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.38 7.81 73 D 8.57 4.45 0.00 2.66 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 74 G 8.93 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.97 4.24 0.00 2.71 2.52 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 76 A 7.51 4.22 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.45 4.09 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 78 S 8.23 4.54 0.00 3.87 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 79 L 8.51 4.45 0.00 1.59 1.48 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.87 4.06 0.00 1.70 1.77 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.42 7.81 81 E 8.71 4.14 0.00 1.91 1.60 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 2.35 2.21 0.00 82 H 8.60 4.45 0.00 3.35 3.41 0.00 5.70 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.39 4.50 0.00 1.85 1.91 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.89 4.54 1.85 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 1.20 0.97 0.85 0.00 0.00 85 D 8.32 3.37 0.00 2.47 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 86 E 8.60 4.24 0.00 2.09 2.10 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 2.20 2.18 0.00 87 L 7.72 4.13 0.00 1.59 1.71 0.91 0.99 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 8.38 4.99 0.00 2.78 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 89 Y 7.19 5.58 0.00 3.12 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 90 I 9.04 4.88 1.62 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.77 0.81 0.00 0.00 91 L 8.51 5.43 0.00 1.71 1.97 0.98 1.00 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 92 L 8.95 4.98 0.00 1.64 1.45 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 3.28 0.00 1.68 0.82 0.00 3.38 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 94 T 7.71 3.96 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 1.23 0.00 0.00 95 E 8.03 3.92 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 96 G 7.75 3.42 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 0.00 97 W 8.21 4.00 0.00 3.01 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 98 N 8.18 3.90 0.00 2.53 2.62 0.00 0.00 7.11 7.89 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 99 K 7.48 3.05 0.00 1.32 0.74 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.01 1.24 7.81 100 L 7.05 4.01 0.00 1.28 1.43 0.85 0.88 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 0.00 101 V 6.91 3.07 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 0.81 0.00 0.00 -0.38 0.00 0.00 102 S 7.52 3.93 0.00 3.65 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 0.00 103 W 7.65 4.54 0.00 3.29 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 0.00 104 Y 8.30 4.71 0.00 3.24 3.36 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 0.00 105 T 7.59 3.68 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 1.24 0.00 0.00 106 L 7.94 4.54 0.00 1.53 1.56 1.06 1.13 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 0.00 107 M 8.81 4.13 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 108 E 8.72 3.99 0.00 2.04 1.85 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 2.30 2.34 0.00 109 G 9.26 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 0.00 0.00 0.00 110 Q 7.47 4.85 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 111 E 8.91 4.79 0.00 1.89 1.85 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 2.25 2.39 0.00 112 P 0.00 4.22 0.00 2.07 1.66 0.00 3.70 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 2.20 2.45 0.00 113 I 7.58 4.14 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.71 0.00 0.00 114 A 7.91 4.24 0.72 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 0.00 0.00 115 R 8.61 4.55 0.00 1.46 1.62 0.00 3.14 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 116 K 8.38 4.87 0.00 1.57 1.68 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81 117 V 8.48 3.83 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.76 0.00 0.00 118 V 8.23 4.82 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 0.75 0.00 0.00 0.88 0.00 0.00 119 E 8.60 4.39 0.00 1.93 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 2.23 2.26 0.00 120 Q 8.48 4.52 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 121 G 8.59 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 M 8.32 4.83 0.00 1.98 1.93 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 2.59 2.51 0.00 123 F 8.82 4.80 0.00 2.88 2.99 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 0.00 124 V 7.70 4.34 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 0.73 0.00 0.00 0.85 0.00 0.00 125 K 8.08 4.36 0.00 1.53 1.53 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.33 7.81 126 H 8.25 4.97 0.00 3.08 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 C 8.52 4.26 0.00 2.97 2.87 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 0.00 0.00 0.00 128 K 8.01 4.43 0.00 1.67 1.62 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 129 V 8.28 3.57 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 0.78 0.00 0.00 0.92 0.00 0.00 130 E 8.56 4.22 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 131 V 8.28 3.54 1.85 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 0.15 0.00 0.00 0.89 0.00 0.00 132 Y 7.58 4.63 0.00 3.03 2.87 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 0.00 0.00 0.00 133 L 8.60 4.38 0.00 1.67 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00