NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1795 8.1727 122.0503 56.2778 34.1273 173.9978 2 V 4.5878 8.1493 126.9025 60.6824 32.4527 174.5404 3 F 4.4590 9.9562 128.8843 57.6260 40.1938 174.8918 4 E 4.3082 9.0874 121.0931 55.5071 31.1474 176.6989 5 R 3.4618 9.0493 120.3622 60.8642 29.9188 179.4110 6 C 4.3157 8.0413 115.2494 59.7263 41.4764 175.7116 7 E 3.9120 8.1402 120.6456 59.2653 29.2864 178.5334 8 L 3.5531 8.0023 120.0387 57.8285 42.0537 178.5630 9 A 3.9399 7.8433 120.7190 55.4783 18.2412 179.9336 10 R 3.8997 8.1202 116.4074 59.5095 29.9719 179.3986 11 T 3.8573 8.0048 115.6296 66.6323 68.5409 176.6815 12 L 3.8303 8.1919 121.2552 57.4821 41.6088 179.4256 13 K 3.9029 8.1167 119.5763 59.7355 31.9647 179.1254 14 R 3.9886 8.1145 117.1441 58.6964 29.9639 178.0072 15 L 4.4127 7.3067 116.6547 54.1717 41.7091 177.0195 16 G 3.8786 7.9293 106.8796 46.7462 0.0000 175.0147 17 M 3.9754 7.7859 120.6873 56.2493 32.3733 175.7297 18 D 4.3918 8.0345 118.0282 55.8414 41.0220 175.7534 19 G 3.9393 9.4274 115.7922 45.3777 0.0000 171.3365 20 Y 4.1688 8.2504 121.8433 58.8310 38.9583 176.4762 21 R 3.5421 9.0341 127.1164 57.2596 27.8375 177.2870 22 G 3.8201 8.2526 103.4871 45.6277 0.0000 174.0202 23 I 4.0267 7.6734 122.3201 59.2568 37.9347 175.9001 24 S 4.5835 8.3174 120.3680 57.7426 63.8914 174.9161 25 L 4.2243 8.6212 123.3126 58.6105 41.7423 179.4024 26 A 4.1381 8.1342 120.1160 55.2281 18.3357 179.2596 27 N 4.4444 8.1274 115.0531 56.2793 38.5996 177.6865 28 W 4.3532 8.0245 119.9177 59.9647 29.1029 178.3340 29 M 4.1412 8.4569 118.7798 58.6686 31.5013 177.9310 30 C 3.2397 7.9750 118.5368 59.1074 44.7809 175.3875 31 L 4.0025 8.1280 121.6458 58.2812 41.7919 178.8530 32 A 4.2633 8.3079 122.0967 54.3495 18.2713 179.4457 33 K 3.0186 8.4385 118.4745 59.3751 32.0935 178.9964 34 W 4.3869 7.8743 116.7637 58.7917 29.1494 178.0024 35 E 4.4496 8.3106 118.5326 58.2697 29.4513 177.4404 36 S 4.5065 8.1312 108.8725 56.9708 65.4864 174.5979 37 G 3.6361 8.3554 108.9514 46.9328 0.0000 173.5623 38 Y 3.6700 7.7802 113.7111 58.5683 35.4276 168.4508 39 N 5.2846 7.6946 119.7069 52.0474 39.4898 175.7801 40 T 4.1386 8.8667 117.3707 63.9038 69.0962 175.9122 41 R 4.4611 8.1089 119.5854 55.8392 30.8749 176.3281 42 A 4.3305 7.7948 121.7751 52.6301 19.3905 176.9552 43 T 5.1098 8.3269 110.8396 60.0836 72.3639 172.9296 44 N 4.8888 8.9292 122.3432 52.0847 41.7463 172.3361 45 Y 4.7897 8.6943 128.0945 57.2149 40.9746 173.8043 46 N 4.6661 8.3078 124.4444 51.2065 39.3308 175.4332 47 A 3.7066 8.3086 127.9847 54.6299 19.0191 179.0257 48 G 3.7450 8.1216 104.5495 48.2139 0.0000 174.0060 49 D 4.7784 7.6564 116.6291 51.8385 39.9673 175.9285 50 R 4.1380 7.9402 115.8711 56.8681 28.2036 175.8032 51 S 4.9845 7.2132 108.3074 56.9494 66.7324 172.6832 52 T 5.1125 8.8935 115.8074 61.9516 72.8020 172.9730 53 D 5.2920 9.0529 125.8808 53.5637 42.8201 174.9939 54 Y 4.9288 9.3539 121.5875 57.4152 41.2240 177.4779 55 G 4.3286 8.9156 112.0814 46.0450 0.0000 173.4688 56 I 3.9396 8.1157 116.4120 62.8763 37.9628 177.9148 57 F 4.8092 8.0194 115.5765 56.0902 39.7176 175.2431 58 A 3.9301 7.9373 122.9489 53.2742 16.4894 177.9588 59 I 4.3945 8.1738 122.9301 60.9486 39.1002 177.0753 60 N 5.4422 9.2888 126.3250 53.2577 40.1646 175.8438 61 S 4.6694 9.3251 120.2551 60.4688 63.8991 176.2373 62 R 3.5531 8.9140 122.3405 58.7254 30.3747 177.8959 63 Y 4.3212 7.4887 112.2509 57.7548 40.6779 177.2229 64 W 4.9417 8.2116 119.0135 57.6132 30.6499 173.5746 65 C 5.5771 7.9096 110.7451 53.6125 44.1646 171.8031 66 N 4.8379 8.9329 119.6821 52.1223 39.8942 174.7948 67 D 4.8058 8.5118 122.8664 52.2295 40.3362 178.0961 68 G 4.0467 8.5166 107.5261 46.2526 0.0000 174.7273 69 K 4.4809 8.0609 116.5221 56.6190 33.0702 175.6592 70 T 4.5785 7.7304 117.2747 61.3580 69.4164 172.2711 71 P 4.2615 0.0000 0.0000 64.3423 31.6068 176.0111 72 G 3.9669 8.8780 110.3605 46.2013 0.0000 172.9467 73 A 4.2727 7.4766 119.4584 51.6154 19.4308 177.7512 74 V 4.3367 8.2977 112.6316 59.4393 35.3422 176.2961 75 N 4.9708 8.0012 116.4352 52.4127 37.9983 174.7444 76 A 4.0040 9.0719 125.2042 54.8049 19.1073 178.4562 77 C 4.5784 8.5290 111.1240 57.2216 41.2290 173.0475 78 H 4.0325 7.8436 116.5043 56.5403 26.2332 174.0136 79 L 4.8157 8.2165 118.0450 52.8878 46.5027 176.6403 80 S 4.6208 8.3699 115.3579 58.0164 63.2885 176.0162 81 C 4.0560 8.8194 124.4939 59.5890 40.4671 176.4213 82 S 3.8945 7.8292 114.6206 61.1424 61.6772 175.8501 83 A 4.0406 7.9163 122.6901 54.3294 18.0107 178.4651 84 L 4.5179 7.7686 116.3529 54.8345 41.6129 177.5105 85 L 5.0177 7.6645 117.9531 54.5555 42.3102 176.6180 86 Q 4.4053 7.7975 117.5755 55.2025 29.6702 175.9559 87 D 4.4088 8.5561 120.1819 57.1402 41.1347 176.7516 88 N 4.5865 8.0337 118.2144 53.1990 39.3072 174.5744 89 I 4.2603 8.4482 118.9268 61.0230 37.9859 177.1067 90 A 3.9295 8.3517 124.8678 56.0253 18.1697 180.2434 91 D 4.2857 8.0775 116.5409 57.3778 40.9110 178.7172 92 A 4.0790 7.9625 120.9396 55.1236 18.3854 179.7165 93 V 3.4074 8.3148 117.0660 65.9188 31.5937 178.0898 94 A 3.8161 8.0547 120.6350 55.2758 18.1299 178.8601 95 C 4.1999 8.4145 116.8100 59.7407 39.6959 175.5687 96 A 3.9079 8.2971 122.8211 55.0798 17.5757 179.7852 97 K 3.7353 7.6814 116.3706 59.4390 32.1754 179.1737 98 R 4.0692 7.7726 118.9921 59.2978 30.0340 178.6450 99 V 2.5621 7.6045 118.1524 65.7962 30.9724 178.0525 100 V 3.8883 7.7314 110.1419 62.7960 31.3126 177.9996 101 R 4.1909 7.5819 117.4165 57.1324 30.5607 176.3146 102 D 4.7226 7.5144 119.0250 52.6816 41.9399 175.3696 103 P 4.2308 0.0000 0.0000 66.2184 31.3928 178.4430 104 Q 4.0143 8.1471 116.0675 56.5767 29.9696 177.4221 105 G 3.7306 7.8541 107.1155 46.6827 0.0000 175.7089 106 I 3.4496 7.8019 119.2657 63.6164 37.9185 178.0654 107 R 4.1869 7.2786 117.1557 57.6902 30.0044 177.3601 108 A 4.1026 7.6670 120.6270 53.5925 18.5752 177.7079 109 W 4.6750 8.0470 117.0573 55.4357 29.7587 177.4542 110 V 3.7352 8.7541 123.8059 66.0585 30.9298 177.6075 111 A 4.0456 8.3164 120.1204 54.8220 18.1720 179.2624 112 W 4.0436 8.4382 127.0872 60.6357 30.5774 178.4708 113 R 3.8480 8.2277 116.5867 59.3080 29.6685 178.4031 114 N 4.3712 8.1608 115.1230 55.7155 38.7440 176.8922 115 R 4.0958 7.9162 115.7897 55.9722 31.3150 176.0731 116 C 4.5055 7.8068 115.3671 57.3646 42.9330 174.4235 117 Q 3.0173 6.6144 119.8256 57.0181 28.7575 175.2646 118 N 4.1632 8.5216 121.5220 54.4961 36.3123 173.9455 119 R 4.4996 7.2471 114.6803 54.0973 33.1642 175.8668 120 D 4.5695 8.4680 119.2904 54.0722 40.4763 175.8144 121 V 4.6353 8.1789 119.1556 61.2264 32.3608 178.3234 122 R 4.0293 8.2888 122.5764 59.3871 29.9965 178.9792 123 Q 4.0337 8.1533 114.3833 59.2013 28.4062 177.6099 124 Y 4.2298 7.9712 115.7642 60.0884 38.2104 176.7961 125 V 4.4208 7.9324 110.7029 60.6979 33.0072 175.4544 126 Q 4.1770 7.9947 120.2239 57.1286 28.8861 176.8178 127 G 3.9517 8.8885 110.1308 46.0607 0.0000 174.5493 128 C 4.4466 8.0227 115.6251 56.6347 40.6291 173.9040 129 G 3.8510 8.1193 107.2534 46.8547 0.0000 174.1810 130 V 4.0118 7.8983 118.0178 61.0837 32.0800 175.8777 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 K 8.17 4.18 0.00 2.01 1.63 0.00 1.26 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.14 7.81 2 V 8.15 4.59 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.96 4.46 0.00 2.83 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 4 E 9.09 4.31 0.00 1.96 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 2.31 2.24 0.00 5 R 9.05 3.46 0.00 2.02 1.94 0.00 3.37 0.00 0.00 3.42 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 6 C 8.04 4.32 0.00 3.01 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 7 E 8.14 3.91 0.00 2.06 2.25 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 2.57 2.41 0.00 8 L 8.00 3.55 0.00 1.35 1.33 -0.24 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.94 1.37 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 10 R 8.12 3.90 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 11 T 8.00 3.86 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 1.22 0.00 0.00 12 L 8.19 3.83 0.00 1.71 1.57 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.12 3.90 0.00 1.93 1.94 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.11 3.99 0.00 1.91 1.97 0.00 3.21 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 15 L 7.31 4.41 0.00 1.58 1.56 0.87 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.93 3.88 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 0.00 0.00 0.00 17 M 7.79 3.98 0.00 1.37 1.98 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 18 D 8.03 4.39 0.00 2.68 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 19 G 9.43 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 20 Y 8.25 4.17 0.00 3.39 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 21 R 9.03 3.54 0.00 1.86 1.83 0.00 3.25 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.34 0.00 22 G 8.25 3.82 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 0.00 0.00 0.00 23 I 7.67 4.03 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.57 -0.38 0.00 0.00 24 S 8.32 4.58 0.00 4.06 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 25 L 8.62 4.22 0.00 2.07 1.81 0.99 1.06 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 26 A 8.13 4.14 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 27 N 8.13 4.44 0.00 2.80 2.75 0.00 0.00 6.94 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 28 W 8.02 4.35 0.00 3.51 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 29 M 8.46 4.14 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.95 0.00 30 C 7.97 3.24 0.00 2.48 3.11 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 31 L 8.13 4.00 0.00 1.90 1.92 0.61 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.31 4.26 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 33 K 8.44 3.02 0.00 1.81 1.73 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.61 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 0.49 7.81 34 W 7.87 4.39 0.00 3.45 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 35 E 8.31 4.45 0.00 2.04 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 2.57 2.41 0.00 36 S 8.13 4.51 0.00 4.10 4.19 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 37 G 8.36 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 0.00 0.00 0.00 38 Y 7.78 3.67 0.00 3.26 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 39 N 7.69 5.28 0.00 2.77 2.87 0.00 0.00 7.00 8.50 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 40 T 8.87 4.14 4.44 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 1.46 0.00 0.00 41 R 8.11 4.46 0.00 2.01 2.04 0.00 3.18 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 42 A 7.79 4.33 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 43 T 8.33 5.11 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 1.27 0.00 0.00 44 N 8.93 4.89 0.00 2.86 2.83 0.00 0.00 6.69 6.91 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 45 Y 8.69 4.79 0.00 3.00 2.84 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 46 N 8.31 4.67 0.00 2.62 2.59 0.00 0.00 6.63 7.92 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 47 A 8.31 3.71 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 48 G 8.12 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 49 D 7.66 4.78 0.00 2.74 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 R 7.94 4.14 0.00 2.05 2.16 0.00 3.11 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 51 S 7.21 4.98 0.00 4.03 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 52 T 8.89 5.11 4.07 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 0.66 0.00 0.00 53 D 9.05 5.29 0.00 2.60 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 54 Y 9.35 4.93 0.00 2.92 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 55 G 8.92 4.33 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 0.00 56 I 8.12 3.94 1.67 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 2.34 0.05 0.00 0.00 57 F 8.02 4.81 0.00 3.20 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 58 A 7.94 3.93 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 59 I 8.17 4.39 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 1.15 0.00 0.00 60 N 9.29 5.44 0.00 3.14 3.09 0.00 0.00 6.97 7.80 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 61 S 9.33 4.67 0.00 4.10 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 0.00 62 R 8.91 3.55 0.00 1.53 1.22 0.00 2.73 0.00 0.00 2.86 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 63 Y 7.49 4.32 0.00 1.56 1.94 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 64 W 8.21 4.94 0.00 3.68 3.31 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 65 C 7.91 5.58 0.00 3.17 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 66 N 8.93 4.84 0.00 2.78 2.69 0.00 0.00 7.07 9.28 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 67 D 8.51 4.81 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.06 4.48 0.00 1.88 1.89 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.45 7.81 70 T 7.73 4.58 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 1.20 0.00 0.00 71 P 0.00 4.26 0.00 2.01 2.02 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 72 G 8.88 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 73 A 7.48 4.27 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 74 V 8.30 4.34 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 0.61 0.00 0.00 0.84 0.00 0.00 75 N 8.00 4.97 0.00 2.75 2.55 0.00 0.00 6.79 8.41 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 76 A 9.07 4.00 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 77 C 8.53 4.58 0.00 3.32 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 78 H 7.84 4.03 0.00 3.31 3.37 0.00 5.80 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 79 L 8.22 4.82 0.00 1.70 1.50 0.99 0.75 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 80 S 8.37 4.62 0.00 3.83 3.69 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 81 C 8.82 4.06 0.00 2.23 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 82 S 7.83 3.89 0.00 3.88 3.82 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 83 A 7.92 4.04 1.37 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 84 L 7.77 4.52 0.00 1.92 1.83 1.07 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.66 5.02 0.00 1.76 1.71 1.12 1.16 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 86 Q 7.80 4.41 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 87 D 8.56 4.41 0.00 2.63 2.67 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 88 N 8.03 4.59 0.00 2.69 2.75 0.00 0.00 6.95 7.94 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 89 I 8.45 4.26 1.75 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.96 0.00 0.00 90 A 8.35 3.93 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 91 D 8.08 4.29 0.00 2.75 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 92 A 7.96 4.08 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 93 V 8.31 3.41 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 0.77 0.00 0.00 0.89 0.00 0.00 94 A 8.05 3.82 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 95 C 8.41 4.20 0.00 3.14 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 A 8.30 3.91 0.73 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 97 K 7.68 3.74 0.00 1.60 1.38 0.00 1.28 0.00 0.00 0.80 0.00 0.00 2.31 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.85 7.81 98 R 7.77 4.07 0.00 1.99 2.15 0.00 3.28 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 99 V 7.60 2.56 1.76 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 -0.36 0.00 0.00 -0.60 0.00 0.00 100 V 7.73 3.89 2.14 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 1.16 0.00 0.00 1.44 0.00 0.00 101 R 7.58 4.19 0.00 1.96 2.04 0.00 3.23 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.10 0.00 102 D 7.51 4.72 0.00 3.01 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 0.00 103 P 0.00 4.23 0.00 2.01 2.13 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 104 Q 8.15 4.01 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.85 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 0.00 106 I 7.80 3.45 1.01 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.36 -0.77 0.00 0.00 107 R 7.28 4.19 0.00 2.03 2.02 0.00 3.22 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.52 0.00 108 A 7.67 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.05 4.67 0.00 3.49 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 0.00 110 V 8.75 3.74 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 1.10 0.00 0.00 1.00 0.00 0.00 111 A 8.32 4.05 1.53 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 0.00 0.00 0.00 112 W 8.44 4.04 0.00 3.48 3.48 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 0.00 113 R 8.23 3.85 0.00 2.10 2.02 0.00 3.65 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.14 0.00 114 N 8.16 4.37 0.00 2.68 2.72 0.00 0.00 6.95 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 0.00 115 R 7.92 4.10 0.00 0.98 0.71 0.00 2.78 0.00 0.00 2.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.04 0.00 116 C 7.81 4.51 0.00 1.47 2.60 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 0.00 117 Q 6.61 3.02 0.00 0.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 118 N 8.52 4.16 0.00 2.78 2.80 0.00 0.00 6.89 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 0.00 119 R 7.25 4.50 0.00 1.71 1.78 0.00 3.23 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 120 D 8.47 4.57 0.00 2.64 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 0.00 121 V 8.18 4.64 2.34 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 0.79 0.00 0.00 1.03 0.00 0.00 122 R 8.29 4.03 0.00 2.03 2.02 0.00 3.29 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 123 Q 8.15 4.03 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.12 0.00 0.00 0.00 0.00 0.00 2.20 1.66 0.00 124 Y 7.97 4.23 0.00 3.28 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 0.00 125 V 7.93 4.42 2.14 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 1.01 0.00 0.00 1.07 0.00 0.00 126 Q 7.99 4.18 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 127 G 8.89 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 0.00 0.00 0.00 0.00 128 C 8.02 4.45 0.00 3.08 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 0.00 129 G 8.12 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 0.00 130 V 7.90 4.01 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 0.85 0.00 0.00 0.97 0.00 0.00