NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.3962 8.2393 119.7064 56.6127 31.9437 174.0566 7 T 4.2776 8.1418 104.9617 61.4024 70.4656 173.5461 8 P 4.5070 0.0000 0.0000 62.5102 32.4613 178.6797 9 S 3.4378 7.5530 115.0061 60.2449 63.8101 170.2164 10 D 4.7626 8.0137 115.4785 54.7770 42.8811 177.8475 11 K 3.8869 8.1154 118.5125 56.1761 32.9293 174.3964 12 P 4.7842 0.0000 0.0000 62.6986 32.0915 175.6199 13 V 5.1286 8.3773 122.9202 59.4576 35.9292 174.2204 14 A 4.4690 7.6606 118.1448 51.8803 23.4573 175.1770 15 H 4.5315 8.7770 122.6906 54.5182 32.2256 172.2020 16 V 4.5949 8.5762 119.5016 59.7966 33.8271 175.4936 17 V 5.2669 8.1780 122.5848 59.6270 34.2917 175.0424 18 A 4.2170 8.6832 124.9356 52.0507 19.1389 176.6029 19 N 4.4216 8.4981 121.0513 52.2488 38.8617 173.8000 20 P 3.0990 0.0000 0.0000 64.9526 32.0438 177.9630 21 Q 4.0037 8.9079 118.4597 58.7504 28.8232 176.6013 22 A 4.1352 7.8963 119.3612 52.5958 18.8161 176.2084 23 E 4.7119 8.1065 119.5084 55.3522 32.8919 175.6582 24 G 4.7249 8.8763 111.0555 45.6500 0.0000 173.1394 25 Q 4.3699 7.4962 113.8929 54.7253 31.3925 173.8189 26 L 4.1275 8.3053 123.6451 53.8003 41.6635 174.8788 27 Q 4.6776 7.8137 125.2435 53.4702 31.4432 175.0379 28 W 5.1168 8.7916 125.2808 56.6250 29.7215 175.8742 29 L 4.6504 9.5818 125.9016 53.0845 43.8735 175.3604 30 N 4.9012 9.4005 124.0720 52.8976 39.8132 173.7682 31 D 5.7823 7.6254 135.0000 55.1143 43.4000 175.7039 32 R 4.6744 7.4823 115.3899 53.1091 33.6596 174.9953 33 A 4.1002 8.3219 121.4022 53.1718 19.2488 176.7434 34 N 4.1589 8.7008 114.3098 53.8363 35.9490 174.5876 35 A 4.9657 7.5347 116.6317 50.6040 22.8472 176.9667 36 L 4.7638 8.3798 119.9121 52.9547 46.0849 176.0281 37 L 4.7031 7.9132 117.8445 54.6295 42.7763 173.0978 38 A 4.6312 8.3135 124.7195 49.4135 22.7986 176.7063 39 N 4.0491 9.2251 114.3190 53.6404 35.8741 173.8872 40 G 4.0512 8.2868 111.6846 45.8053 0.0000 173.2092 41 V 3.8643 7.5297 120.5447 62.3095 32.1639 174.3952 42 E 4.7329 8.5645 123.8949 54.7181 34.6656 174.1232 43 L 4.2505 8.5189 123.2697 55.4511 42.9473 175.2835 44 R 4.0718 8.8778 128.9924 56.9826 28.5249 177.0557 45 D 4.6094 8.8454 117.8424 54.2101 41.4187 176.7198 46 N 4.5386 8.2752 111.6369 54.3358 38.0396 172.7537 47 Q 4.9505 7.4737 113.6050 53.5495 32.7194 174.6096 48 L 4.5989 8.4906 123.0828 54.3463 42.9999 175.8349 49 V 4.5872 8.1047 123.1032 61.1266 33.9300 174.5868 50 V 3.9368 8.6723 129.1661 61.3618 31.8874 174.3486 51 P 4.2749 0.0000 0.0000 65.3174 31.1405 176.2901 52 S 4.7950 7.4526 112.3009 54.8002 65.9644 173.2352 53 E 4.4308 8.2635 122.2628 56.1619 29.9313 176.4169 54 G 3.8468 8.1280 114.4650 45.1470 0.0000 170.7120 55 L 5.1281 7.8687 119.0928 53.1771 45.3482 175.4886 56 Y 5.6446 9.3286 120.2804 55.0323 42.7167 174.0642 57 L 4.9773 8.6945 124.1261 53.8286 43.8276 176.2106 58 I 5.4135 8.7492 126.3898 59.2720 36.3231 174.2464 59 Y 5.0421 8.4452 122.5340 57.0526 40.3450 176.1821 60 S 4.6021 7.7103 111.3828 57.9871 65.9329 173.9860 61 Q 4.8529 8.2296 124.8571 55.2997 32.2436 173.6553 62 V 4.6350 8.1327 118.1921 59.3020 36.3601 174.1862 63 L 4.7235 7.8795 122.6122 53.6297 44.9219 175.4593 64 F 5.3933 8.7580 125.3390 56.9576 41.2746 174.9071 65 K 4.2919 7.9972 120.4407 56.1169 35.4395 174.7911 66 G 2.9558 6.2486 112.2664 44.3470 0.0000 170.6197 67 Q 4.4581 8.0550 118.1822 54.5212 30.8867 175.0523 68 G 3.7786 8.4614 116.6845 45.4389 0.0000 172.2190 69 C 4.7907 8.4309 117.1799 54.4421 40.3543 172.3614 70 P 4.8259 0.0000 0.0000 61.9041 31.9194 175.5637 71 S 4.2610 8.2330 113.3728 58.2964 64.3293 169.8955 72 T 3.1566 8.4933 123.6599 63.0243 66.6444 171.5576 73 H 3.8402 8.7973 126.4239 56.2851 29.5460 175.2029 74 V 3.7981 8.3835 127.7433 62.5257 30.5868 173.9399 75 L 4.9408 8.2200 127.4262 52.9577 43.3010 176.1236 76 L 4.8308 9.1231 124.8465 53.4453 43.8828 175.7250 77 T 5.2969 8.3472 110.5273 61.0109 72.6998 171.9577 78 H 5.4477 9.1181 122.2741 55.3742 33.8121 172.2484 79 T 4.7451 9.1105 114.9263 60.2683 72.8202 172.9092 80 I 4.5455 8.8051 125.5408 59.9191 38.4939 174.9590 81 S 5.0327 8.2724 122.3345 56.6709 66.2872 173.2230 82 R 4.9320 9.1052 121.1407 54.6001 33.3764 173.5983 83 I 4.7215 8.7020 120.1112 58.5239 39.5834 174.7493 84 A 4.6453 8.5330 129.0630 51.0499 20.1266 177.5050 85 V 3.3077 8.9891 119.3615 66.6653 31.5504 177.9236 86 S 4.1956 7.2107 116.3298 61.0475 63.6630 174.7886 87 Y 4.7100 7.6187 127.0756 56.6713 37.2872 176.0002 88 Q 4.5742 8.1093 125.5302 54.0201 26.3333 174.8365 89 T 4.4869 6.9249 110.8337 59.5386 73.4077 174.9622 90 K 4.4438 8.5264 122.6893 56.1109 32.1568 176.5214 91 V 4.1760 8.1688 125.7122 60.2974 33.6309 175.1852 92 N 4.3962 8.5980 121.6029 54.4944 38.6833 173.4577 93 L 3.6485 8.9417 126.7964 55.5674 41.1127 177.8014 94 L 4.9922 8.3578 121.0230 53.9560 45.7205 176.2016 95 S 5.0130 8.0044 114.1829 57.7644 66.3872 172.9805 96 A 4.4553 8.1605 117.8694 51.4125 22.7028 175.5052 97 I 5.0756 8.5772 121.8607 59.7790 40.1635 175.3673 98 K 4.7032 9.2219 124.0833 54.9033 36.8512 175.6552 99 S 4.8820 8.7799 118.4805 54.7611 63.8361 171.9841 100 P 4.1887 0.0000 0.0000 63.6378 31.6303 177.1410 101 C 4.8393 7.4537 116.3871 55.4435 43.0538 172.6670 102 Q 4.1938 8.2842 120.5320 58.0577 30.9366 175.5001 103 R 3.7675 7.4475 117.1498 54.0914 31.8975 176.1070 104 E 3.8294 8.5134 122.1735 57.3921 29.6184 173.7946 105 T 3.8126 6.5886 111.3654 63.0084 66.7342 169.5939 106 P 3.8886 0.0000 0.0000 60.0658 33.9732 173.8112 107 E 4.6507 8.5644 122.4024 56.5791 36.6208 176.5186 108 G 3.7281 8.9850 108.1719 46.7041 0.0000 173.1634 109 A 4.2018 7.9005 119.0823 51.4115 22.4639 177.0895 110 E 4.2524 8.8286 123.9821 57.1939 32.0685 178.4132 111 A 3.1342 9.2637 123.1306 54.8444 17.3448 176.1285 112 K 3.7520 8.5760 121.9078 56.7414 29.7911 172.5536 113 P 5.0034 0.0000 0.0000 60.8320 32.1575 175.9589 114 W 4.9704 7.6307 119.7703 56.0478 30.6603 174.3842 115 Y 4.9922 8.7444 116.9111 56.6587 41.6734 175.5843 116 E 4.7540 9.7479 123.3025 54.9261 33.0427 172.5413 117 P 5.2229 0.0000 0.0000 61.7538 33.1066 175.2857 118 I 4.8811 8.1339 119.7864 59.8634 41.5224 173.7007 119 Y 4.9706 8.7509 125.3691 55.8541 42.1162 174.4273 120 L 4.8661 8.2305 124.7802 52.9489 45.5587 175.8077 121 G 4.5757 8.7399 110.0558 44.9736 0.0000 171.6559 122 G 4.3352 8.6876 108.8774 45.5364 0.0000 171.9440 123 V 5.0050 8.0375 120.2753 61.1597 32.9638 174.7139 124 F 5.0211 9.6132 126.3434 55.7451 43.6799 173.5371 125 Q 5.0697 8.9051 121.9646 55.0239 29.9961 174.7104 126 L 5.1086 8.5461 125.2893 53.2486 46.0913 176.1395 127 E 4.8435 9.0679 121.4173 54.1717 31.9276 175.0537 128 K 4.2228 8.3639 121.2911 57.9789 32.3853 176.9865 129 G 4.0064 9.0016 115.8014 44.9793 0.0000 173.2718 130 D 4.7507 7.6792 119.7364 54.5363 42.2551 175.5569 131 R 5.1590 9.0224 118.9656 54.6448 34.9338 174.2721 132 L 5.3365 8.6129 120.0864 53.4109 46.9344 175.9457 133 S 4.8569 8.2307 109.1242 57.9094 66.5043 174.8019 134 A 4.6218 8.0917 128.0358 50.3589 19.4241 175.7964 135 E 4.9617 9.2011 120.5040 54.7562 33.5513 174.7124 136 I 5.3522 8.5132 113.2549 58.1425 40.3319 175.2986 137 N 4.5754 8.4672 120.4254 54.7540 37.8388 175.8497 138 R 4.5787 7.6088 117.7035 53.5686 31.0145 173.6297 139 P 4.6037 0.0000 0.0000 63.7478 31.9684 178.4185 140 D 4.2834 7.8690 118.0250 55.9624 39.9269 177.0902 141 Y 4.6961 7.8084 116.2545 58.9620 38.4678 175.5075 142 L 4.3249 8.0905 119.2117 55.3038 42.1886 175.8846 143 D 4.7005 8.4021 121.4836 52.5712 43.8561 176.5367 144 F 5.1216 7.9510 119.7048 55.5216 37.8701 174.1323 145 A 4.7340 7.9519 120.1090 52.7648 20.1372 178.2793 146 E 3.8029 8.4574 120.5834 56.8372 28.9034 175.5727 147 S 3.7956 9.3826 124.7014 58.7859 59.8376 169.3718 148 G 4.0802 8.7965 110.9970 45.7101 0.0000 172.3724 149 Q 4.4113 8.2985 118.7248 57.0872 29.3173 176.0947 150 V 4.8693 8.5921 118.3372 61.1919 34.6793 174.1507 151 Y 5.2279 9.5056 125.7331 56.2403 42.1906 173.5564 152 F 4.7220 9.0000 122.6402 56.8152 42.4654 173.3157 153 G 4.0798 8.1724 112.1999 44.6605 0.0000 171.4641 154 I 5.4869 8.2181 113.7037 57.9268 41.6841 174.0111 155 I 4.9525 8.4081 122.7755 59.3564 41.4873 173.9576 156 A 4.2321 8.7064 130.8713 51.7156 19.3333 177.4184 157 L 4.3367 8.4579 120.0802 54.8934 42.2972 176.6430 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 6 R 8.24 4.40 0.00 1.80 1.98 0.00 3.16 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 7 T 8.14 4.28 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 1.21 0.00 0.00 8 P 0.00 4.51 0.00 2.20 2.18 0.00 3.91 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 1.98 1.95 0.00 9 S 7.55 3.44 0.00 4.12 3.98 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 10 D 8.01 4.76 0.00 2.64 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 K 8.12 3.89 0.00 1.91 1.83 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.46 7.81 12 P 0.00 4.78 0.00 2.30 2.46 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.95 0.00 13 V 8.38 5.13 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 0.89 0.00 0.00 0.97 0.00 0.00 14 A 7.66 4.47 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.78 4.53 0.00 3.28 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.58 4.59 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 0.51 0.00 0.00 0.20 0.00 0.00 17 V 8.18 5.27 2.22 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 0.96 0.00 0.00 1.17 0.00 0.00 18 A 8.68 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.50 4.42 0.00 2.67 2.57 0.00 0.00 7.19 7.24 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 20 P 0.00 3.10 0.00 2.17 1.96 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 21 Q 8.91 4.00 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 22 A 7.90 4.14 1.21 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 0.00 0.00 23 E 8.11 4.71 0.00 1.96 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 0.00 2.24 2.20 0.00 24 G 8.88 4.72 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 0.00 25 Q 7.50 4.37 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 26 L 8.31 4.13 0.00 1.43 1.41 0.15 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.81 4.68 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 28 W 8.79 5.12 0.00 3.27 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.58 4.65 0.00 1.70 1.60 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.40 4.90 0.00 2.68 2.73 0.00 0.00 7.08 8.47 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 31 D 7.63 5.78 0.00 2.76 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 32 R 7.48 4.67 0.00 1.81 1.82 0.00 3.43 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 33 A 8.32 4.10 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 N 8.70 4.16 0.00 2.87 2.85 0.00 0.00 6.67 7.35 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 35 A 7.53 4.97 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 36 L 8.38 4.76 0.00 1.66 1.52 0.94 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.91 4.70 0.00 1.72 1.50 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.31 4.63 1.21 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 0.00 0.00 39 N 9.23 4.05 0.00 2.87 2.84 0.00 0.00 6.91 7.99 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 40 G 8.29 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 41 V 7.53 3.86 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 0.81 0.00 0.00 0.92 0.00 0.00 42 E 8.56 4.73 0.00 1.87 1.73 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 2.27 2.50 0.00 43 L 8.52 4.25 0.00 1.61 1.59 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.88 4.07 0.00 1.81 1.64 0.00 3.36 0.00 0.00 3.22 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 45 D 8.85 4.61 0.00 2.93 2.64 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 46 N 8.28 4.54 0.00 2.89 2.98 0.00 0.00 7.05 7.08 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 47 Q 7.47 4.95 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 48 L 8.49 4.60 0.00 1.36 1.31 -0.42 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.10 4.59 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 0.90 0.00 0.00 0.91 0.00 0.00 50 V 8.67 3.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.41 0.00 0.00 51 P 0.00 4.27 0.00 2.26 2.10 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 52 S 7.45 4.80 0.00 3.83 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 53 E 8.26 4.43 0.00 2.00 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 2.32 2.32 0.00 54 G 8.13 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 55 L 7.87 5.13 0.00 1.45 1.50 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.33 5.64 0.00 2.90 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 57 L 8.69 4.98 0.00 1.87 1.66 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.75 5.41 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.65 1.01 0.00 0.00 59 Y 8.45 5.04 0.00 2.91 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 60 S 7.71 4.60 0.00 3.53 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 61 Q 8.23 4.85 0.00 1.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.41 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 62 V 8.13 4.63 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 0.55 0.00 0.00 0.23 0.00 0.00 63 L 7.88 4.72 0.00 1.86 1.51 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.76 5.39 0.00 3.39 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.00 4.29 0.00 1.22 1.33 0.00 0.94 0.00 0.00 1.35 0.00 0.00 2.44 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.79 0.42 7.81 66 G 6.25 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.06 4.46 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.07 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 68 G 8.46 3.78 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 0.00 0.00 0.00 69 C 8.43 4.79 0.00 3.03 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 70 P 0.00 4.83 0.00 2.24 2.19 0.00 3.93 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 71 S 8.23 4.26 0.00 4.00 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 72 T 8.49 3.16 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 73 H 8.80 3.84 0.00 3.07 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.38 3.80 1.82 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 0.82 0.00 0.00 1.00 0.00 0.00 75 L 8.22 4.94 0.00 1.48 1.49 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.12 4.83 0.00 1.48 1.02 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.35 5.30 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 1.21 0.00 0.00 78 H 9.12 5.45 0.00 3.27 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.11 4.75 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 1.19 0.00 0.00 80 I 8.81 4.55 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.37 0.70 0.00 0.00 81 S 8.27 5.03 0.00 3.76 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 82 R 9.11 4.93 0.00 1.68 1.63 0.00 2.98 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 83 I 8.70 4.72 1.79 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 1.08 1.68 0.86 0.00 0.00 84 A 8.53 4.65 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 85 V 8.99 3.31 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 0.83 0.00 0.00 1.12 0.00 0.00 86 S 7.21 4.20 0.00 4.07 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 87 Y 7.62 4.71 0.00 2.83 2.95 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 88 Q 8.11 4.57 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.57 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 89 T 6.92 4.49 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 1.02 0.00 0.00 90 K 8.53 4.44 0.00 1.60 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 91 V 8.17 4.18 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 0.84 0.00 0.00 0.93 0.00 0.00 92 N 8.60 4.40 0.00 2.61 2.77 0.00 0.00 7.05 7.85 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 93 L 8.94 3.65 0.00 1.36 0.57 0.47 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.36 4.99 0.00 1.60 1.60 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.00 5.01 0.00 3.80 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 96 A 8.16 4.46 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 97 I 8.58 5.08 1.86 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 1.35 0.95 0.92 0.00 0.00 98 K 9.22 4.70 0.00 1.66 1.60 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.46 7.81 99 S 8.78 4.88 0.00 3.67 3.70 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 0.00 100 P 0.00 4.19 0.00 0.78 1.64 0.00 3.48 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.68 0.00 101 C 7.45 4.84 0.00 2.68 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 0.00 102 Q 8.28 4.19 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 103 R 7.45 3.77 0.00 1.88 1.78 0.00 3.23 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 104 E 8.51 3.83 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 105 T 6.59 3.81 4.37 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 1.32 0.00 0.00 106 P 0.00 3.89 0.00 2.14 2.19 0.00 3.95 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 107 E 8.56 4.65 0.00 2.13 1.61 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 2.29 2.24 0.00 108 G 8.99 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 0.00 109 A 7.90 4.20 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.83 4.25 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 111 A 9.26 3.13 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 0.00 112 K 8.58 3.75 0.00 2.01 1.93 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.45 7.81 113 P 0.00 5.00 0.00 1.72 1.95 0.00 3.46 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.83 0.00 114 W 7.63 4.97 0.00 3.46 3.22 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 0.00 115 Y 8.74 4.99 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.75 4.75 0.00 2.14 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 2.56 2.37 0.00 117 P 0.00 5.22 0.00 2.16 2.13 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 118 I 8.13 4.88 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 1.03 0.00 0.00 119 Y 8.75 4.97 0.00 2.94 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 0.00 120 L 8.23 4.87 0.00 1.45 1.41 0.92 0.61 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 0.00 121 G 8.74 4.58 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 0.00 0.00 0.00 122 G 8.69 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.04 5.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 124 F 9.61 5.02 0.00 3.05 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 0.00 125 Q 8.91 5.07 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 126 L 8.55 5.11 0.00 1.73 1.52 0.63 0.78 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 0.00 127 E 9.07 4.84 0.00 2.05 1.92 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 2.41 2.27 0.00 128 K 8.36 4.22 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.77 7.81 129 G 9.00 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 0.00 130 D 7.68 4.75 0.00 2.78 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 0.00 131 R 9.02 5.16 0.00 1.67 1.75 0.00 3.06 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 132 L 8.61 5.34 0.00 1.65 1.62 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.23 4.86 0.00 3.89 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 0.00 134 A 8.09 4.62 0.36 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 0.00 135 E 9.20 4.96 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 136 I 8.51 5.35 2.40 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 1.95 1.04 0.00 0.00 137 N 8.47 4.58 0.00 2.86 3.01 0.00 0.00 6.70 7.54 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 0.00 138 R 7.61 4.58 0.00 1.71 1.99 0.00 3.29 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 139 P 0.00 4.60 0.00 2.23 2.08 0.00 3.56 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 140 D 7.87 4.28 0.00 2.44 2.59 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 0.00 141 Y 7.81 4.70 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.09 4.32 0.00 1.58 1.42 0.90 0.73 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 0.00 143 D 8.40 4.70 0.00 2.45 2.48 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 0.00 144 F 7.95 5.12 0.00 3.07 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 0.00 145 A 7.95 4.73 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 0.00 146 E 8.46 3.80 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 147 S 9.38 3.80 0.00 4.13 4.11 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 0.00 148 G 8.80 4.08 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 0.00 0.00 0.00 149 Q 8.30 4.41 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 150 V 8.59 4.87 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 1.07 0.00 0.00 1.21 0.00 0.00 151 Y 9.51 5.23 0.00 2.88 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 0.00 152 F 9.00 4.72 0.00 1.51 1.45 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 0.00 153 G 8.17 4.08 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 0.00 0.00 0.00 154 I 8.22 5.49 1.77 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 0.84 1.99 0.65 0.00 0.00 155 I 8.41 4.95 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 1.03 0.00 0.00 156 A 8.71 4.23 1.13 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 0.00 157 L 8.46 4.34 0.00 1.39 1.47 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00