NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2012 8.3001 120.3386 55.3599 33.2743 174.4677 2 A 3.9853 7.3056 121.7983 50.1849 21.7888 175.7097 3 K 3.7446 5.6600 117.8726 56.7196 34.7296 175.1596 4 V 4.7791 5.9612 119.0607 61.2528 34.6818 174.1376 5 Q 4.7881 9.6127 130.1083 54.1264 30.7663 174.2392 6 V 4.3749 8.7316 126.5171 62.0792 32.0844 174.2380 7 N 4.9448 9.6225 121.0640 53.8448 40.2459 174.0909 8 N 5.1320 8.0574 116.8416 52.3014 42.1747 174.1190 9 V 4.8577 8.2744 123.1310 60.5947 33.4146 174.8676 10 V 4.0972 9.0480 128.5867 60.3387 31.7654 174.8574 11 V 3.7954 8.0811 127.3323 63.2868 31.4324 175.1727 12 L 4.2028 8.5956 128.2412 55.9873 43.1213 177.7687 13 D 4.4253 7.2198 118.8481 53.9642 38.7106 173.9792 14 N 5.0173 7.3423 121.1016 51.0595 41.6206 172.8993 15 P 5.0330 0.0000 0.0000 63.3076 31.4031 175.4592 16 S 4.7784 8.3869 119.1372 55.5767 68.1505 171.4646 17 P 4.4994 0.0000 0.0000 62.9273 31.4680 177.7436 18 F 4.0029 9.3113 126.1969 60.8485 39.4163 175.3349 19 Y 4.3703 7.4794 115.7520 57.6825 38.0559 174.7976 20 N 4.5365 7.8237 119.8965 52.3402 39.7560 172.8735 21 P 4.5168 0.0000 0.0000 61.9850 32.6562 176.1039 22 F 4.6009 9.1060 122.7700 57.7418 40.1576 174.3025 23 Q 5.0058 8.5102 123.3329 54.2386 31.3427 174.8820 24 F 4.8408 9.3858 124.5488 55.7347 41.9253 174.4189 25 E 4.5243 9.0745 127.7796 55.0817 28.9387 173.6889 26 I 4.5215 7.6857 125.0708 60.3183 39.2396 174.6721 27 T 5.0829 9.2305 124.5113 62.0696 70.0370 173.3803 28 F 5.5360 9.0762 122.0578 54.9154 41.7873 174.1189 29 E 4.7898 9.5024 122.3610 54.5705 31.3364 174.6513 30 C 4.8322 9.0061 129.7968 59.5276 31.6554 174.1094 31 I 3.8320 8.3538 128.9562 63.8948 37.6306 175.6171 32 E 4.7366 7.4930 119.7448 54.4155 34.4235 174.1646 33 D 4.8537 8.5353 119.8612 53.7013 40.1733 175.6299 34 L 4.6770 8.1855 122.1693 54.0226 43.9910 175.8374 35 S 4.6523 9.1217 117.8790 59.3119 65.4405 173.2620 36 E 5.0657 9.0174 121.7181 54.5126 32.6612 173.9260 37 D 5.3500 8.4409 117.6551 52.0969 41.6542 175.8109 38 L 4.4403 9.3058 124.3937 55.0010 43.5704 175.2028 39 E 4.7671 8.7681 128.3183 54.4192 30.0882 173.1480 40 W 4.6677 9.0207 125.7666 55.6835 30.6183 175.1014 41 K 5.3262 8.9495 125.4907 54.7125 35.4764 174.6005 42 I 4.5217 8.4051 127.3295 59.8048 39.1734 174.6634 43 I 5.2620 8.6591 128.9396 59.0402 39.4315 174.2494 44 Y 4.5037 8.3261 129.8192 56.0615 39.9863 173.9746 45 V 3.7476 8.4073 128.4179 63.4794 31.6787 175.8525 46 G 4.1053 9.0199 116.7182 48.2724 0.0000 172.2117 47 S 4.9052 7.9329 114.6858 56.2436 64.5451 173.8441 48 A 4.0444 9.6648 130.7041 53.4646 18.1803 177.4346 49 E 4.2291 7.4219 114.8781 57.2482 30.7615 176.7124 50 S 4.2040 7.8675 115.5706 56.5771 65.7105 174.6157 51 E 4.0564 8.5855 124.7905 58.8866 29.6894 178.4675 52 E 4.2302 8.0216 116.9248 58.0096 29.1632 176.7560 53 Y 4.4609 8.0642 116.8685 58.1158 38.3781 173.9910 54 D 4.8947 7.8719 120.4038 54.1650 39.6405 177.1206 55 Q 4.5335 9.5519 123.1257 54.7478 31.4094 175.1066 56 V 4.6998 8.0406 119.2882 61.7010 33.2579 175.0107 57 L 4.2912 8.9204 128.9639 57.3431 42.1978 176.6632 58 D 4.8101 7.7116 115.6801 53.6241 44.9557 174.1246 59 S 5.9462 8.9393 116.1385 56.2198 65.6984 173.3954 60 V 4.2608 8.6159 124.7640 59.9415 33.5961 174.7796 61 L 5.4066 8.4494 124.4275 52.6052 43.0941 176.0902 62 V 4.0258 8.3775 125.6889 61.5390 32.7061 176.4302 63 G 3.8606 8.5126 119.1867 44.2725 0.0000 169.5457 64 P 4.5102 0.0000 0.0000 63.2954 31.7797 176.3952 65 V 4.5437 8.3640 117.5665 58.6656 35.8873 173.7082 66 P 4.3046 0.0000 0.0000 62.9941 29.6338 176.5668 67 A 3.4729 9.1843 130.1136 52.6029 18.8994 175.0236 68 G 3.6442 7.9909 103.2066 44.3163 0.0000 173.1811 69 R 4.8070 8.4715 126.9888 55.9720 30.8621 174.8777 70 H 4.7501 8.9345 121.0769 55.1613 32.4365 171.8534 71 M 5.2175 8.5813 118.9323 53.7931 34.2432 174.6036 72 F 5.1990 9.4184 120.0445 54.8798 42.1658 174.2986 73 V 4.1980 8.3175 118.6519 59.7417 33.0900 174.8647 74 F 4.7930 9.2235 129.5392 58.3228 40.5430 174.2191 75 Q 5.8247 9.2886 122.0396 55.2493 33.1259 173.8623 76 A 4.7415 8.4490 121.7451 50.9054 22.7097 175.5817 77 D 4.7569 8.9456 122.5232 53.7974 41.6336 176.4914 78 A 4.1120 8.6206 125.2008 51.6538 18.8002 175.6231 79 P 4.5249 0.0000 0.0000 62.0920 32.6861 175.3437 80 N 4.6430 8.5289 115.9539 51.8712 38.7396 174.8269 81 P 3.7018 0.0000 0.0000 65.1906 31.4589 178.4741 82 G 3.7103 7.7338 106.3617 47.2685 0.0000 174.5583 83 L 4.0992 7.6521 119.5298 56.7453 41.9924 177.3036 84 I 4.9336 7.3007 118.1759 59.0827 38.0153 174.6736 85 P 4.7238 0.0000 0.0000 61.9320 33.8355 176.7982 86 D 4.3976 8.8005 118.0812 58.0460 40.5516 179.4899 87 A 4.1106 7.7518 118.0832 54.2581 18.4313 178.3447 88 D 4.4714 7.9429 115.1397 56.3559 41.8360 177.8970 89 A 4.1361 8.1013 120.9032 54.4136 19.0678 179.2116 90 V 4.1961 6.6555 108.9475 59.4184 32.3430 175.2411 91 G 4.0599 7.2353 107.3237 46.1660 0.0000 172.8517 92 V 4.7091 8.3845 113.6029 60.9400 33.4817 175.6335 93 T 4.4982 8.3224 119.0295 62.5288 73.9351 172.5769 94 V 4.6932 7.7509 121.1794 61.0538 35.5898 174.6056 95 V 4.8590 9.1250 126.1848 59.9507 33.9103 173.9101 96 L 5.6424 8.7389 127.0024 53.5570 43.0800 175.8285 97 I 5.3965 8.4247 123.5510 59.5178 38.5984 174.3868 98 T 5.1980 8.0673 118.5410 59.7194 70.4265 173.5516 99 C 4.0918 7.9831 128.0694 58.8433 32.9817 172.1292 100 T 4.7367 8.8444 123.5919 62.0495 70.9845 172.1195 101 Y 4.5549 8.8886 129.1530 56.1582 40.7232 176.0917 102 R 3.8751 8.2470 123.8480 57.0697 27.3395 177.2579 103 G 3.7998 8.3361 104.4711 45.3650 0.0000 173.6041 104 Q 4.4140 7.5759 119.5143 53.7533 30.1204 174.7464 105 E 4.4809 8.4540 123.5512 55.9288 30.4579 176.3441 106 F 5.4160 8.6327 116.8845 56.5686 39.7444 174.1068 107 I 4.4781 7.1552 118.3773 60.5899 41.7538 173.5902 108 R 4.7875 8.3729 127.1254 55.3474 32.4818 174.4050 109 V 4.0488 8.6288 128.6314 60.7265 31.9875 175.4034 110 G 4.1219 8.9113 117.5783 45.4352 0.0000 168.7805 111 Y 4.5890 8.6276 120.8454 58.1068 39.5641 174.9254 112 Y 4.4550 8.7521 123.8127 58.1330 39.4270 175.6274 113 V 4.6622 8.9463 125.8021 60.2360 33.5441 174.7709 114 N 4.8724 9.3524 126.7872 52.5388 40.0249 173.7717 115 N 5.3414 9.3426 126.1689 52.0758 40.0233 174.2737 116 E 4.5234 8.9149 123.2847 54.1315 34.1613 175.0903 117 Y 4.9066 8.3490 120.8555 59.3198 38.2159 176.7520 118 T 4.2561 9.1569 112.6042 64.0863 70.3105 175.4654 119 E 4.3132 8.1214 122.0131 55.5225 30.7034 177.4448 120 T 3.9000 8.6797 120.3578 66.8084 68.4849 176.1617 121 E 3.9526 8.1394 120.6519 59.3646 29.7027 178.6606 122 L 3.9838 7.8607 118.5063 57.0979 41.4310 179.4703 123 R 4.1234 7.8053 117.2661 58.8730 30.3052 177.9544 124 E 4.3894 8.4343 118.3439 58.3408 30.2746 177.5721 125 N 4.7742 8.0602 117.0907 50.2873 38.0650 170.4177 126 P 4.9003 0.0000 0.0000 62.1569 31.4567 175.1549 127 P 4.2039 0.0000 0.0000 62.5340 31.8280 176.4373 128 V 3.7040 8.5975 122.2980 65.5642 31.5296 176.3563 129 K 4.6194 7.6714 117.3920 54.1515 33.2941 174.4702 130 P 4.1374 0.0000 0.0000 62.5575 31.6812 176.0298 131 D 4.6877 9.2749 124.7223 52.5067 40.2976 177.2303 132 F 3.9458 8.2385 123.5878 59.3515 39.2456 177.1667 133 S 4.6751 8.2757 114.2197 60.0141 63.6657 174.7493 134 K 4.5830 8.2147 119.2742 56.0193 33.3932 175.6159 135 L 4.4626 7.6278 123.7299 54.1976 43.8368 174.8415 136 Q 4.9233 8.5349 126.6802 54.3691 32.0592 174.4075 137 R 4.5365 9.2200 126.5513 55.3045 31.2964 175.5013 138 N 4.7861 9.3393 125.8146 52.3843 39.3750 174.1384 139 I 4.5392 8.1691 127.4605 60.2942 37.4776 176.2192 140 L 4.1726 9.6270 128.9004 55.2016 39.7768 178.1472 141 A 4.9474 8.4184 125.6661 53.4814 18.9251 178.5423 142 S 4.4032 8.0209 109.3085 59.6174 63.9651 174.0265 143 N 4.8132 8.0323 119.8227 51.7272 38.6222 172.1056 144 P 3.9973 0.0000 0.0000 61.8098 32.4473 178.5051 145 R 4.1348 8.6796 128.1183 55.4520 29.0908 173.5482 146 V 4.3546 7.8126 121.0539 62.0729 32.4924 175.1184 147 T 4.3978 9.0224 127.1705 61.7537 70.3564 173.5701 148 R 4.4258 8.0938 122.6650 54.1045 32.0557 175.0240 149 F 5.1723 9.0308 118.8678 56.2836 43.4008 173.7247 150 H 5.2155 9.0961 117.1850 54.3042 29.9559 174.6777 151 I 4.4827 8.4712 116.2658 58.5916 40.6076 175.2037 152 N 4.8660 8.3519 119.1649 51.7927 36.5634 175.6796 153 W 4.6788 9.1083 123.1343 57.8075 29.5059 175.7202 154 E 4.9306 7.6597 116.9830 54.7307 32.1174 175.4332 155 D 4.9062 8.4501 116.3892 52.8510 40.4833 175.8412 156 N 4.5983 8.0596 117.6088 52.5865 37.3936 175.6077 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.20 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 2 A 7.31 3.99 1.17 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 0.00 0.00 3 K 5.66 3.74 0.00 0.79 1.06 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.93 1.14 7.81 4 V 5.96 4.78 2.28 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 1.12 0.00 0.00 1.25 0.00 0.00 5 Q 9.61 4.79 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 6 V 8.73 4.37 2.94 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 1.08 0.00 0.00 1.30 0.00 0.00 7 N 9.62 4.94 0.00 2.82 2.90 0.00 0.00 7.17 8.97 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 8 N 8.06 5.13 0.00 2.86 2.72 0.00 0.00 6.57 7.79 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 9 V 8.27 4.86 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 1.21 0.00 0.00 1.27 0.00 0.00 10 V 9.05 4.10 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 0.93 0.00 0.00 0.95 0.00 0.00 11 V 8.08 3.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.41 0.00 0.00 12 L 8.60 4.20 0.00 1.42 1.62 0.88 0.96 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 13 D 7.22 4.43 0.00 2.69 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 0.00 0.00 0.00 0.00 14 N 7.34 5.02 0.00 2.64 2.68 0.00 0.00 6.63 8.07 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 15 P 0.00 5.03 0.00 2.05 2.13 0.00 3.28 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 16 S 8.39 4.78 0.00 3.68 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 17 P 0.00 4.50 0.00 2.11 2.04 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 18 F 9.31 4.00 0.00 2.71 3.05 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 19 Y 7.48 4.37 0.00 2.97 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 20 N 7.82 4.54 0.00 2.57 2.75 0.00 0.00 7.03 7.90 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 21 P 0.00 4.52 0.00 1.99 1.96 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 22 F 9.11 4.60 0.00 3.08 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 23 Q 8.51 5.01 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 24 F 9.39 4.84 0.00 2.91 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 25 E 9.07 4.52 0.00 1.97 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 0.00 2.22 2.20 0.00 26 I 7.69 4.52 1.01 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 1.36 0.51 1.18 0.00 0.00 27 T 9.23 5.08 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 1.25 0.00 0.00 28 F 9.08 5.54 0.00 3.53 3.60 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 29 E 9.50 4.79 0.00 2.06 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 2.22 2.23 0.00 30 C 9.01 4.83 0.00 3.18 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 31 I 8.35 3.83 1.85 0.00 0.00 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 1.43 0.48 0.84 0.00 0.00 32 E 7.49 4.74 0.00 1.55 1.63 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 2.10 2.13 0.00 33 D 8.54 4.85 0.00 2.66 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 34 L 8.19 4.68 0.00 1.96 1.70 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.12 4.65 0.00 4.07 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 36 E 9.02 5.07 0.00 1.83 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 2.01 2.10 0.00 37 D 8.44 5.35 0.00 2.74 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 38 L 9.31 4.44 0.00 2.17 1.73 1.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.77 4.77 0.00 2.08 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 2.22 2.28 0.00 40 W 9.02 4.67 0.00 3.19 3.51 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 41 K 8.95 5.33 0.00 1.86 1.61 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.61 7.81 42 I 8.41 4.52 1.57 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.36 0.57 0.00 0.00 43 I 8.66 5.26 1.82 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 1.07 1.11 0.97 0.00 0.00 44 Y 8.33 4.50 0.00 2.76 2.94 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 45 V 8.41 3.75 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 0.74 0.00 0.00 0.82 0.00 0.00 46 G 9.02 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 0.00 0.00 0.00 47 S 7.93 4.91 0.00 3.78 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 9.66 4.04 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 49 E 7.42 4.23 0.00 1.99 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 2.24 2.23 0.00 50 S 7.87 4.20 0.00 2.72 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 51 E 8.59 4.06 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 52 E 8.02 4.23 0.00 2.10 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 0.00 2.33 2.34 0.00 53 Y 8.06 4.46 0.00 3.12 2.97 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 54 D 7.87 4.89 0.00 2.69 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 55 Q 9.55 4.53 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 56 V 8.04 4.70 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 0.93 0.00 0.00 0.94 0.00 0.00 57 L 8.92 4.29 0.00 1.45 1.75 1.10 0.84 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 58 D 7.71 4.81 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.94 5.95 0.00 3.94 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 60 V 8.62 4.26 1.78 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 -0.07 0.00 0.00 0.68 0.00 0.00 61 L 8.45 5.41 0.00 1.55 1.69 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.38 4.03 2.30 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 1.33 0.00 0.00 0.80 0.00 0.00 63 G 8.51 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.51 0.00 2.13 2.27 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 65 V 8.36 4.54 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 0.98 0.00 0.00 1.09 0.00 0.00 66 P 0.00 4.30 0.00 2.05 2.07 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 67 A 9.18 3.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.99 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 69 R 8.47 4.81 0.00 1.84 1.85 0.00 3.30 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 70 H 8.93 4.75 0.00 3.18 3.23 0.00 5.47 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.58 5.22 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 72 F 9.42 5.20 0.00 2.98 3.06 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 73 V 8.32 4.20 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 0.76 0.00 0.00 0.92 0.00 0.00 74 F 9.22 4.79 0.00 3.15 3.06 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 75 Q 9.29 5.82 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.41 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 76 A 8.45 4.74 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 77 D 8.95 4.76 0.00 2.60 2.61 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 78 A 8.62 4.11 0.81 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 79 P 0.00 4.52 0.00 2.20 2.15 0.00 3.48 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 2.09 1.09 0.00 80 N 8.53 4.64 0.00 2.77 2.77 0.00 0.00 6.56 8.02 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 81 P 0.00 3.70 0.00 1.66 2.24 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 82 G 7.73 3.71 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 0.00 0.00 0.00 83 L 7.65 4.10 0.00 1.88 1.80 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.30 4.93 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.81 1.16 0.00 0.00 85 P 0.00 4.72 0.00 2.54 2.28 0.00 3.85 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 86 D 8.80 4.40 0.00 2.81 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 87 A 7.75 4.11 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 88 D 7.94 4.47 0.00 2.66 2.86 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 0.00 0.00 0.00 0.00 89 A 8.10 4.14 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 90 V 6.66 4.20 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 0.40 0.00 0.00 0.90 0.00 0.00 91 G 7.24 4.06 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 0.00 92 V 8.38 4.71 2.31 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 0.80 0.00 0.00 0.99 0.00 0.00 93 T 8.32 4.50 4.06 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 0.80 0.00 0.00 94 V 7.75 4.69 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 0.74 0.00 0.00 0.12 0.00 0.00 95 V 9.13 4.86 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 1.11 0.00 0.00 0.62 0.00 0.00 96 L 8.74 5.64 0.00 1.72 1.78 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.42 5.40 1.82 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.40 1.27 0.00 0.00 98 T 8.07 5.20 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 1.24 0.00 0.00 99 C 7.98 4.09 0.00 1.88 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 0.00 100 T 8.84 4.74 4.36 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 1.15 0.00 0.00 101 Y 8.89 4.55 0.00 2.88 2.07 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 0.00 102 R 8.25 3.88 0.00 1.88 1.91 0.00 3.62 0.00 0.00 4.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.00 103 G 8.34 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 0.00 104 Q 7.58 4.41 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.15 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 105 E 8.45 4.48 0.00 1.64 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 106 F 8.63 5.42 0.00 3.28 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 0.00 107 I 7.16 4.48 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.99 0.43 0.00 0.00 108 R 8.37 4.79 0.00 2.05 1.78 0.00 3.23 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 109 V 8.63 4.05 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 0.78 0.00 0.00 0.85 0.00 0.00 110 G 8.91 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 0.00 0.00 0.00 0.00 111 Y 8.63 4.59 0.00 3.38 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 0.00 112 Y 8.75 4.46 0.00 2.86 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 0.00 113 V 8.95 4.66 2.37 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 0.58 0.00 0.00 1.30 0.00 0.00 114 N 9.35 4.87 0.00 2.83 2.79 0.00 0.00 6.86 6.79 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 0.00 115 N 9.34 5.34 0.00 2.68 2.58 0.00 0.00 6.68 7.88 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 0.00 116 E 8.91 4.52 0.00 1.80 1.71 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 2.12 2.40 0.00 117 Y 8.35 4.91 0.00 2.90 2.86 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 0.00 0.00 0.00 0.00 118 T 9.16 4.26 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 0.00 119 E 8.12 4.31 0.00 2.02 1.89 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 2.40 2.34 0.00 120 T 8.68 3.90 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 0.00 121 E 8.14 3.95 0.00 2.00 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 0.00 2.31 2.37 0.00 122 L 7.86 3.98 0.00 1.82 0.91 0.59 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.81 4.12 0.00 1.93 2.02 0.00 3.40 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.03 0.00 124 E 8.43 4.39 0.00 2.03 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 0.00 2.59 2.47 0.00 125 N 8.06 4.77 0.00 2.79 2.78 0.00 0.00 7.14 7.21 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 0.00 126 P 0.00 4.90 0.00 2.30 2.32 0.00 3.42 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 127 P 0.00 4.20 0.00 2.05 1.92 0.00 3.19 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.84 0.00 128 V 8.60 3.70 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 0.80 0.00 0.00 0.93 0.00 0.00 129 K 7.67 4.62 0.00 1.78 1.73 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 130 P 0.00 4.14 0.00 1.13 1.55 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 131 D 9.27 4.69 0.00 2.80 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 0.00 132 F 8.24 3.95 0.00 3.20 2.94 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 0.00 133 S 8.28 4.68 0.00 4.20 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 0.00 134 K 8.21 4.58 0.00 2.13 2.00 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 135 L 7.63 4.46 0.00 1.76 1.51 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.53 4.92 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 137 R 9.22 4.54 0.00 1.67 1.94 0.00 3.39 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.65 0.00 138 N 9.34 4.79 0.00 2.80 2.91 0.00 0.00 6.96 8.20 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 0.00 139 I 8.17 4.54 1.89 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 1.28 0.68 0.66 0.00 0.00 140 L 9.63 4.17 0.00 1.93 1.73 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.42 4.95 1.39 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 0.00 0.00 0.00 142 S 8.02 4.40 0.00 4.00 4.02 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 0.00 143 N 8.03 4.81 0.00 2.59 2.56 0.00 0.00 6.95 7.48 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 0.00 144 P 0.00 4.00 0.00 1.67 0.82 0.00 3.65 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 1.97 2.17 0.00 145 R 8.68 4.13 0.00 2.01 1.92 0.00 3.11 0.00 0.00 3.11 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 146 V 7.81 4.35 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 0.90 0.00 0.00 0.90 0.00 0.00 147 T 9.02 4.40 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 0.94 0.00 0.00 148 R 8.09 4.43 0.00 1.89 1.78 0.00 3.02 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 149 F 9.03 5.17 0.00 2.83 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 9.10 5.22 0.00 3.07 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.47 4.48 1.68 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 0.96 0.00 0.00 152 N 8.35 4.87 0.00 3.13 3.09 0.00 0.00 5.97 8.98 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 0.00 153 W 9.11 4.68 0.00 3.10 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 0.00 154 E 7.66 4.93 0.00 2.03 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 2.28 2.33 0.00 155 D 8.45 4.91 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.06 4.60 0.00 2.92 2.78 0.00 0.00 6.76 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