NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3345 8.1627 118.1930 53.4688 33.7391 175.8634 2 N 3.7872 8.0778 116.4809 53.2204 38.2985 168.8215 3 E 3.9211 9.1759 115.0204 59.6330 30.9582 177.2328 4 L 4.7305 7.1975 113.4410 53.4993 44.3714 175.5516 5 Y 4.6620 6.6580 117.5777 57.0670 40.8820 171.9615 6 Q 4.3127 8.5814 119.5737 54.7646 28.0647 176.2144 7 L 4.1110 8.4074 125.9434 55.4926 41.8852 175.1674 8 E 4.1973 8.7407 127.3804 53.2448 30.9810 176.6849 9 K 4.0522 6.5446 117.9517 56.9781 31.8024 174.4770 10 E 5.0622 8.1513 115.7042 53.1771 32.8750 172.9161 11 P 3.5609 0.0000 0.0000 63.2892 30.7662 175.6337 12 I 4.3970 7.8842 123.7705 59.4864 38.5514 177.0173 13 V 3.3731 8.5299 123.5120 63.5900 31.1368 176.5946 14 G 4.8696 6.2173 115.4267 45.3001 0.0000 171.0430 15 A 4.8937 7.6073 124.8099 49.6511 22.9934 175.6194 16 E 4.2808 8.9476 120.4875 57.0203 30.7970 175.6815 17 T 5.0912 8.6935 114.7801 60.4186 70.9551 173.4091 18 F 5.0058 9.6299 123.6643 55.8714 43.4257 173.0137 19 Y 4.9142 8.9363 121.4422 56.2783 42.3433 174.9019 20 V 4.4801 7.4331 123.6728 62.0372 35.4351 172.4100 21 D 4.5083 8.3413 124.0668 53.3995 45.1340 174.5349 22 G 4.2745 8.8480 111.7533 44.3874 0.0000 171.4332 23 A 4.8416 8.5538 123.5222 49.8012 21.3705 175.4655 24 A 4.7922 8.3436 123.5943 50.4055 22.4913 174.4746 25 N 4.8261 8.8952 121.8246 53.6050 39.6392 175.5587 26 R 3.8189 8.9223 127.0456 59.5060 30.4532 177.9932 27 E 3.9056 8.2605 116.6343 58.8557 29.4333 177.1489 28 T 4.4429 7.6120 111.2091 62.0007 70.8071 173.6707 29 K 3.8284 7.9216 119.8904 54.2251 29.8547 173.4635 30 L 5.2118 6.8922 118.1457 54.3773 47.0866 174.0819 31 G 4.0997 7.0503 110.9338 46.2179 0.0000 171.6474 32 K 5.6154 8.6097 123.5348 53.9856 36.4962 175.4381 33 A 4.4858 8.1513 119.7846 51.7699 22.5258 175.6440 34 G 5.0129 8.5952 110.9605 45.8057 0.0000 170.2492 35 Y 5.7933 8.2612 115.4799 56.5302 41.4322 173.7570 36 V 4.9757 8.6524 118.5189 59.3862 34.3878 174.9120 37 T 4.1244 7.6983 120.3124 59.9770 69.0554 174.9979 38 N 4.2685 7.3539 121.5948 54.8005 37.1523 175.6721 39 R 4.2422 7.3687 117.4642 55.5804 30.4934 176.1756 40 G 3.6642 7.9920 105.7715 46.8478 0.0000 173.8668 41 R 4.5807 7.2660 117.9580 54.4074 33.4025 175.1114 42 Q 5.3585 8.4968 122.6350 53.5496 32.5634 174.0529 43 K 4.9306 8.4724 122.2721 55.3436 36.8584 174.8922 44 V 4.9850 8.1062 117.5038 61.1044 34.0018 173.5256 45 V 4.7139 8.8943 115.0823 60.3411 36.6093 173.6849 46 T 5.6475 8.2833 112.4673 60.2087 70.4528 174.1158 47 L 4.6619 8.4403 124.1700 54.0208 43.7061 175.8690 48 T 4.6785 7.7961 111.7680 60.8569 71.4044 173.7936 49 D 4.4838 8.6324 125.1721 54.6510 39.6604 173.8676 50 T 4.2429 7.2328 110.0018 60.6507 70.0097 175.0512 51 T 4.1328 8.1037 122.0561 62.6711 70.4132 175.0308 52 N 4.2526 8.7003 119.7982 56.9261 36.9920 177.3278 53 Q 4.0793 8.0956 120.1704 58.0970 28.8067 178.6968 54 K 4.0312 7.8381 119.3262 59.1335 32.1636 179.2138 55 T 3.7994 8.0800 110.9658 64.8225 68.5829 176.2378 56 E 4.0136 7.7184 119.5683 58.2290 29.5777 178.9107 57 L 3.8988 7.7220 120.9659 57.9538 41.9399 178.6550 58 Q 3.8661 8.4793 118.4708 59.2858 29.2814 177.7496 59 A 4.1940 7.8350 121.2138 55.1710 18.3375 179.4279 60 I 3.5158 7.9774 118.8119 64.9355 36.9915 177.7824 61 Y 4.0596 7.6465 118.6597 60.5617 38.6961 178.2269 62 L 3.7791 8.1676 120.0396 57.7091 41.3990 179.3733 63 A 2.5800 7.2881 119.6775 54.1751 18.0462 178.9834 64 L 3.6337 7.0668 117.5230 55.8745 41.8825 179.1750 65 Q 3.8489 7.2997 117.8818 58.5760 28.7500 176.8774 66 D 4.8624 7.5344 115.6997 54.0030 41.6512 177.5724 67 S 2.9516 7.2244 115.9942 61.4529 64.5046 175.6616 68 G 4.1492 8.4980 107.5079 43.4865 0.0000 173.5277 69 L 4.3653 8.9698 123.7471 53.7702 43.6455 175.9028 70 E 5.1551 8.3727 117.1075 55.2567 32.7717 176.4235 71 V 5.0111 8.9412 117.0216 59.7266 36.9807 174.1913 72 N 5.2076 9.5152 119.2269 52.2767 40.1165 175.0812 73 I 4.3769 8.5895 127.1917 59.9168 38.3432 175.5701 74 V 4.2927 8.1874 129.0385 61.9617 32.2127 174.8807 75 T 5.4508 7.8878 123.7427 61.0639 72.5030 174.3312 76 D 3.3700 8.1681 126.0126 53.2025 40.7661 176.0453 77 S 4.1451 7.4872 116.0489 56.3667 63.5680 175.5795 78 Q 4.4499 8.8104 127.3966 57.9356 28.7738 177.2233 79 Y 3.8963 7.9472 121.9022 60.7973 39.1517 176.7069 80 A 4.0938 8.4507 122.1097 55.1122 18.2106 178.9661 81 L 4.0064 7.8100 117.9691 58.4905 42.0812 179.3618 82 G 3.7512 7.5385 103.5105 47.6608 0.0000 175.5266 83 I 4.0729 8.2320 122.9988 63.6365 37.3360 178.0582 84 I 3.7769 7.7316 118.7966 64.2416 37.7238 177.0827 85 Q 4.2526 8.1067 118.5595 57.5485 29.8143 175.3177 86 A 4.3603 8.2667 123.7867 55.2334 19.3236 178.5383 87 Q 4.0210 8.1606 115.4479 56.9375 26.0445 173.4914 88 P 4.7075 0.0000 0.0000 62.8009 32.2492 179.0836 89 D 4.5422 7.8944 121.8332 58.5777 40.8877 178.4819 90 Q 5.4287 7.6000 112.5804 57.6010 29.4073 173.5737 91 S 4.8173 7.8987 113.6370 58.2178 66.5194 175.1592 92 E 3.4471 8.5312 123.9082 56.9001 29.3495 175.9909 93 S 4.0761 8.7115 110.8592 58.3961 63.3627 174.2177 94 E 4.1368 8.6639 121.0716 58.7649 30.5041 178.6869 95 L 3.8918 7.9503 120.8682 58.3311 42.1550 179.0591 96 V 3.6527 7.8724 111.6780 64.4665 31.3697 178.1856 97 N 4.7059 7.6913 117.5615 55.9982 38.0727 177.1185 98 Q 3.9998 8.0029 120.2260 59.2567 29.1180 178.1833 99 I 3.8123 7.8128 120.9245 64.2818 37.0939 178.5773 100 I 3.4973 8.1679 121.0581 64.3891 36.8049 177.9466 101 E 4.0083 8.1918 119.4210 60.0595 29.0953 179.7972 102 Q 4.0792 7.6164 116.2011 58.6912 28.9387 178.1508 103 L 3.9301 7.5673 120.8070 57.5303 41.7213 179.1733 104 I 4.6054 8.0921 121.5594 63.6664 37.1381 177.6793 105 K 4.4191 7.3534 114.8178 58.4410 32.7819 176.5233 106 K 4.5216 7.6715 119.1134 56.0778 34.8826 173.5000 107 E 4.3584 7.9929 118.5135 56.9454 29.5056 176.5930 108 K 4.8532 7.6081 114.9396 55.9496 36.4521 174.9541 109 V 4.8716 8.1375 114.6208 59.7454 35.2845 174.1333 110 Y 4.6966 9.1343 127.9314 57.2210 39.2959 173.8252 111 L 5.4899 8.5634 126.9816 52.5644 42.7910 176.1665 112 A 4.7804 7.8967 124.3549 50.2729 23.1062 174.3536 113 W 5.5751 8.5389 128.4353 56.5493 33.8244 173.9050 114 V 3.8049 7.2991 126.0592 59.6233 33.4131 172.5515 115 P 3.7661 0.0000 0.0000 63.3591 31.8278 175.9356 116 A 4.6077 7.5014 128.9953 52.6926 21.2613 176.3860 117 H 5.1393 8.7261 118.8210 57.7878 31.8803 174.2068 118 K 4.7985 8.6094 119.1998 56.8094 32.9508 177.1190 119 G 4.3050 8.6248 109.2310 44.6010 0.0000 172.9455 120 I 4.7548 7.6673 124.8983 59.8455 41.0336 174.5066 121 G 3.7341 9.1618 110.0536 47.3139 0.0000 173.8937 122 G 3.8893 8.3922 118.0249 43.5277 0.0000 171.7100 123 N 4.6067 8.5018 122.8800 54.2030 41.4033 174.4460 124 E 3.7698 8.4312 114.4253 58.2195 27.3023 172.9592 125 Q 3.4874 8.0111 111.3187 56.3353 28.1944 173.0843 126 V 4.2342 7.1609 109.6833 60.7732 33.8274 171.1711 127 D 4.7189 8.0424 122.4214 53.9753 42.1227 177.7330 128 K 4.3419 7.7992 118.7923 55.3872 33.7986 175.4523 129 L 3.4290 8.1857 120.7139 55.5868 39.3879 171.9968 130 V 3.6882 7.8397 111.5906 61.2665 31.5836 177.2486 131 S 4.5185 8.3831 123.8167 57.3507 61.3653 173.8622 132 A 4.2706 7.9824 117.6427 52.9483 16.5426 178.2143 133 G 3.7961 7.3597 106.6746 47.2764 0.0000 174.6787 134 I 4.3253 7.9295 120.9269 60.5365 36.4849 176.3691 135 R 4.9931 7.3254 110.2775 55.6232 30.3350 176.9284 136 K 4.2461 8.3543 118.4555 58.0597 34.3780 175.6660 137 V 4.4853 8.0670 115.5675 59.5224 33.1163 175.8316 138 L 4.1792 8.5289 126.3024 55.3539 42.0264 176.2542 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 8.16 4.33 0.00 2.26 2.39 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 2.53 2.59 0.00 2 N 8.08 3.79 0.00 2.80 2.84 0.00 0.00 6.72 6.64 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 3 E 9.18 3.92 0.00 1.75 1.80 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 2.25 2.35 0.00 4 L 7.20 4.73 0.00 1.71 1.79 0.96 0.80 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 5 Y 6.66 4.66 0.00 3.13 3.18 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 0.00 0.00 0.00 6 Q 8.58 4.31 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.21 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 7 L 8.41 4.11 0.00 1.54 1.64 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.74 4.20 0.00 2.14 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 2.36 2.64 0.00 9 K 6.54 4.05 0.00 2.02 1.96 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.39 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 10 E 8.15 5.06 0.00 2.09 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 2.48 2.40 0.00 11 P 0.00 3.56 0.00 2.09 2.00 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 12 I 7.88 4.40 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 0.92 0.00 0.00 13 V 8.53 3.37 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 0.78 0.00 0.00 0.93 0.00 0.00 14 G 6.22 4.87 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 15 A 7.61 4.89 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 16 E 8.95 4.28 0.00 2.32 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 0.00 2.72 2.64 0.00 17 T 8.69 5.09 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 1.30 0.00 0.00 18 F 9.63 5.01 0.00 3.13 3.08 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 0.00 0.00 0.00 19 Y 8.94 4.91 0.00 3.08 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 20 V 7.43 4.48 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 0.82 0.00 0.00 0.87 0.00 0.00 21 D 8.34 4.51 0.00 2.40 2.15 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 22 G 8.85 4.27 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 0.00 23 A 8.55 4.84 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 24 A 8.34 4.79 1.18 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 0.00 0.00 0.00 0.00 0.00 25 N 8.90 4.83 0.00 2.98 2.76 0.00 0.00 6.83 6.94 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 26 R 8.92 3.82 0.00 1.86 1.92 0.00 3.43 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 27 E 8.26 3.91 0.00 1.97 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 2.30 2.37 0.00 28 T 7.61 4.44 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 1.20 0.00 0.00 29 K 7.92 3.83 0.00 1.94 1.91 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.55 7.81 30 L 6.89 5.21 0.00 1.69 1.42 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.05 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 0.00 0.00 0.00 32 K 8.61 5.62 0.00 1.68 1.69 0.00 1.60 0.00 0.00 1.97 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.23 7.81 33 A 8.15 4.49 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 34 G 8.60 5.01 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 35 Y 8.26 5.79 0.00 3.37 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 36 V 8.65 4.98 1.69 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 0.20 0.00 0.00 0.68 0.00 0.00 37 T 7.70 4.12 3.75 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 1.07 0.00 0.00 38 N 7.35 4.27 0.00 2.86 3.12 0.00 0.00 6.50 7.59 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 39 R 7.37 4.24 0.00 1.70 1.95 0.00 3.37 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 40 G 7.99 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 41 R 7.27 4.58 0.00 1.78 1.54 0.00 3.26 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.42 0.00 42 Q 8.50 5.36 0.00 1.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.29 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 43 K 8.47 4.93 0.00 1.87 1.96 0.00 1.60 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.72 7.81 44 V 8.11 4.98 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 0.62 0.00 0.00 0.97 0.00 0.00 45 V 8.89 4.71 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 0.81 0.00 0.00 1.01 0.00 0.00 46 T 8.28 5.65 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 1.21 0.00 0.00 47 L 8.44 4.66 0.00 1.64 1.58 0.88 0.59 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 48 T 7.80 4.68 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 1.19 0.00 0.00 49 D 8.63 4.48 0.00 2.77 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 50 T 7.23 4.24 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 1.22 0.00 0.00 51 T 8.10 4.13 4.12 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 1.21 0.00 0.00 52 N 8.70 4.25 0.00 3.00 3.12 0.00 0.00 5.99 7.51 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 53 Q 8.10 4.08 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.99 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 54 K 7.84 4.03 0.00 1.87 1.76 0.00 1.24 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.39 1.42 7.81 55 T 8.08 3.80 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 1.23 0.00 0.00 56 E 7.72 4.01 0.00 1.90 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 2.45 2.42 0.00 57 L 7.72 3.90 0.00 1.86 1.71 0.90 0.31 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 58 Q 8.48 3.87 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.34 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 59 A 7.83 4.19 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 60 I 7.98 3.52 2.00 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 1.31 0.72 0.85 0.00 0.00 61 Y 7.65 4.06 0.00 2.93 3.19 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 0.00 0.00 0.00 0.00 62 L 8.17 3.78 0.00 1.78 1.88 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.29 2.58 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 64 L 7.07 3.63 0.00 1.67 1.51 0.79 0.58 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 65 Q 7.30 3.85 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.03 0.00 0.00 0.00 0.00 0.00 1.26 1.43 0.00 66 D 7.53 4.86 0.00 3.01 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 S 7.22 2.95 0.00 3.32 3.79 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 68 G 8.50 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 0.00 0.00 0.00 69 L 8.97 4.37 0.00 1.58 1.47 0.92 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 70 E 8.37 5.16 0.00 2.00 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 0.00 2.24 2.30 0.00 71 V 8.94 5.01 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 -0.11 0.00 0.00 0.48 0.00 0.00 72 N 9.52 5.21 0.00 2.92 3.15 0.00 0.00 7.74 7.56 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 73 I 8.59 4.38 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 0.80 0.00 0.00 74 V 8.19 4.29 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 1.09 0.00 0.00 1.17 0.00 0.00 75 T 7.89 5.45 4.09 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 1.04 0.00 0.00 76 D 8.17 3.37 0.00 1.58 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 0.00 0.00 0.00 0.00 77 S 7.49 4.15 0.00 3.76 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 78 Q 8.81 4.45 0.00 2.37 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.99 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 79 Y 7.95 3.90 0.00 3.09 2.91 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 80 A 8.45 4.09 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 81 L 7.81 4.01 0.00 2.04 1.99 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.54 3.75 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 0.00 0.00 0.00 83 I 8.23 4.07 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.04 1.00 0.00 0.00 84 I 7.73 3.78 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 0.96 0.00 0.00 85 Q 8.11 4.25 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.46 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 86 A 8.27 4.36 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 87 Q 8.16 4.02 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.18 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 88 P 0.00 4.71 0.00 2.25 2.34 0.00 3.90 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 89 D 7.89 4.54 0.00 2.76 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 90 Q 7.60 5.43 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 91 S 7.90 4.82 0.00 3.87 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 92 E 8.53 3.45 0.00 2.06 1.46 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 2.32 2.42 0.00 93 S 8.71 4.08 0.00 3.85 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 94 E 8.66 4.14 0.00 2.11 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 2.29 2.23 0.00 95 L 7.95 3.89 0.00 1.70 1.64 0.82 0.98 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 96 V 7.87 3.65 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 0.82 0.00 0.00 0.95 0.00 0.00 97 N 7.69 4.71 0.00 2.95 2.86 0.00 0.00 6.67 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 98 Q 8.00 4.00 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 99 I 7.81 3.81 1.91 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 1.59 1.04 0.83 0.00 0.00 100 I 8.17 3.50 2.04 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.02 1.21 0.00 0.00 101 E 8.19 4.01 0.00 2.14 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 2.36 2.54 0.00 102 Q 7.62 4.08 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 103 L 7.57 3.93 0.00 1.56 1.12 0.19 1.13 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 0.00 104 I 8.09 4.61 2.09 0.00 0.00 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 1.60 1.19 1.00 0.00 0.00 105 K 7.35 4.42 0.00 1.95 1.90 0.00 1.54 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.63 7.81 106 K 7.67 4.52 0.00 1.99 1.77 0.00 1.42 0.00 0.00 1.47 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.26 7.81 107 E 7.99 4.36 0.00 2.10 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 2.26 2.31 0.00 108 K 7.61 4.85 0.00 1.95 1.98 0.00 1.53 0.00 0.00 1.96 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.48 7.81 109 V 8.14 4.87 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 0.57 0.00 0.00 0.78 0.00 0.00 110 Y 9.13 4.70 0.00 3.20 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 0.00 111 L 8.56 5.49 0.00 1.50 1.52 0.84 0.76 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 0.00 112 A 7.90 4.78 0.98 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 0.00 0.00 113 W 8.54 5.58 0.00 3.50 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 0.00 114 V 7.30 3.80 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 0.66 0.00 0.00 0.83 0.00 0.00 115 P 0.00 3.77 0.00 1.88 1.89 0.00 3.53 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 116 A 7.50 4.61 1.18 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 0.00 0.00 0.00 0.00 0.00 117 H 8.73 5.14 0.00 3.24 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.61 4.80 0.00 1.89 1.91 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.42 7.81 119 G 8.62 4.31 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 0.00 120 I 7.67 4.75 2.13 0.00 0.00 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 1.38 0.67 0.47 0.00 0.00 121 G 9.16 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 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 0.00 123 N 8.50 4.61 0.00 2.88 2.81 0.00 0.00 6.83 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 0.00 124 E 8.43 3.77 0.00 2.10 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 2.18 2.34 0.00 125 Q 8.01 3.49 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 126 V 7.16 4.23 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 0.70 0.00 0.00 0.94 0.00 0.00 127 D 8.04 4.72 0.00 2.65 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 0.00 128 K 7.80 4.34 0.00 1.74 1.73 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.35 7.81 129 L 8.19 3.43 0.00 1.74 1.65 0.92 1.03 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 0.00 130 V 7.84 3.69 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 0.68 0.00 0.00 0.94 0.00 0.00 131 S 8.38 4.52 0.00 3.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.27 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 0.00 133 G 7.36 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 0.00 134 I 7.93 4.33 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 1.47 0.88 0.97 0.00 0.00 135 R 7.33 4.99 0.00 1.91 1.92 0.00 3.08 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 136 K 8.35 4.25 0.00 1.87 1.98 0.00 1.50 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.48 7.81 137 V 8.07 4.49 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 0.70 0.00 0.00 0.68 0.00 0.00 138 L 8.53 4.18 0.00 1.62 1.60 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00