NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6889 8.0393 120.2751 61.3257 32.3981 174.4305 2 V 3.8743 7.8482 124.9334 58.7607 32.0416 173.9435 3 W 4.7325 8.2853 126.1017 56.3558 30.8481 178.5441 4 T 4.4278 9.2196 114.2475 61.1860 70.6373 175.7637 5 D 4.4159 8.6482 121.4149 57.5129 40.7897 178.6767 6 F 4.0922 8.3843 120.6698 61.4018 39.2880 176.9370 7 E 3.9988 8.2064 117.7267 59.4461 29.3629 179.3667 8 R 3.6132 8.0314 117.8016 59.2636 30.0940 178.9771 9 A 3.8959 8.0297 120.4243 55.3281 18.3302 179.8183 10 T 3.6575 7.6646 114.2913 66.7327 68.6090 176.7764 11 I 3.6485 7.6831 121.5043 64.3869 37.1452 178.1018 12 A 3.9521 7.7408 121.5700 55.4282 18.0068 179.4404 13 D 4.9322 8.0247 117.2809 55.5187 39.8713 178.5119 14 I 3.7203 8.1420 122.1232 64.6015 36.8639 178.3985 15 F 4.1530 8.2989 118.2367 60.1780 38.7262 177.5827 16 S 4.2630 8.2517 113.3341 60.2230 62.7724 175.7980 17 K 4.2170 7.8164 120.9004 56.2195 32.5497 176.4737 18 L 4.2703 6.8813 119.5900 53.6176 42.7736 176.3203 19 D 4.5224 8.4960 122.7417 53.5742 41.9903 176.5223 20 Y 4.5717 8.4853 126.0570 61.0919 37.8315 178.3416 21 E 4.3936 8.5550 120.9348 58.7071 29.9911 178.4264 22 A 3.9621 9.0256 121.1344 55.3391 18.4542 179.8574 23 V 3.6291 8.4375 117.1868 65.9603 31.7447 178.5175 24 G 3.9340 7.7857 107.0307 47.2699 0.0000 175.9050 25 G 3.6599 8.4239 108.5149 47.4939 0.0000 175.6816 26 A 4.0361 8.0063 123.1609 54.9678 18.4029 179.8469 27 T 3.7852 8.1189 114.5123 66.7031 68.5629 176.6832 28 L 3.8679 7.8190 121.4892 57.9904 42.1725 178.4518 29 A 3.9175 7.8752 120.8195 55.3871 18.2792 179.4902 30 R 3.7606 8.1668 117.1375 59.8185 30.1314 178.3016 31 C 4.2729 8.1328 118.3998 62.4622 31.6119 175.4324 32 L 4.0536 8.0832 120.3215 56.9299 40.9429 179.4405 33 I 3.6806 7.3671 119.4192 64.2088 37.4530 178.1662 34 V 3.5033 7.8401 117.8487 64.4789 32.8216 175.6648 35 Y 4.0718 7.2761 115.5747 54.5015 37.8016 174.2544 36 P 4.9930 0.0000 0.0000 63.9271 31.7860 177.9332 37 W 4.2987 7.8436 116.0417 59.4953 28.1817 178.0302 38 T 4.1956 7.3588 110.7817 64.9991 67.7789 175.8967 39 Q 4.1598 7.9340 121.0674 59.3304 28.5276 179.1678 40 R 3.8740 8.1052 118.5449 59.3413 30.0640 177.7881 41 Y 4.1635 7.6795 115.4879 59.3195 37.7068 175.9556 42 F 4.5814 8.1506 119.6596 56.2164 39.6825 177.7885 43 G 3.9277 8.4183 111.8136 48.5286 0.0000 174.2713 44 N 5.0061 8.1428 117.0364 53.8164 38.7063 175.2425 45 F 4.6891 8.3345 113.3861 56.7732 41.4770 176.2189 46 G 3.8706 8.2694 105.4198 44.0512 0.0000 174.2768 47 N 4.5601 8.6709 122.9446 53.7921 38.1706 174.7642 48 L 4.8017 8.3868 125.1814 54.7100 42.5532 177.2583 49 Y 4.4920 8.1819 120.1759 58.9987 39.3189 175.2497 50 N 4.8578 7.6726 115.8574 51.1329 43.6071 174.2954 51 A 3.9508 8.5429 126.5726 55.3194 18.2207 180.0709 52 A 3.9674 8.1305 118.5372 54.8447 18.3179 179.6151 53 A 3.9770 7.8708 118.4161 55.3125 18.9667 179.4839 54 I 3.7931 7.8726 118.2365 64.9042 37.0228 178.2598 55 M 3.8901 7.7836 118.1474 58.3224 31.8497 177.8773 56 G 3.9145 7.5392 103.4366 45.2575 0.0000 173.4068 57 N 4.5410 7.9295 120.3105 52.5700 39.9247 173.7812 58 P 4.4222 0.0000 0.0000 65.3835 31.7869 178.4362 59 M 3.9099 8.3449 119.3255 58.4612 31.8252 178.5511 60 I 3.8787 8.0478 119.2684 64.1819 37.2805 178.1994 61 A 3.9459 7.6640 120.7977 55.0213 18.1809 179.2671 62 K 3.7834 8.2633 118.4121 60.3160 32.2617 178.4042 63 H 4.4705 8.9259 118.7766 58.9555 29.7345 177.1524 64 G 3.7831 8.7014 108.1063 48.3876 0.0000 175.7134 65 T 4.1673 8.0154 118.0467 66.7323 68.4378 176.9518 66 T 3.9771 7.7521 117.5647 66.5301 68.3701 176.7934 67 I 3.6809 7.7851 121.7806 64.4287 37.0903 178.4990 68 L 3.8835 7.7859 119.2714 58.0677 41.3783 179.1550 69 H 4.2581 8.3632 116.3412 58.6840 28.0997 178.1168 70 G 3.5727 8.3179 107.7665 47.6572 0.0000 175.7938 71 L 4.0675 8.0858 122.7541 57.1272 41.5753 178.8522 72 D 4.1302 8.1789 118.1338 57.5299 40.8303 178.5753 73 R 3.9310 7.7001 116.9977 59.3931 30.1979 178.5917 74 A 4.0658 7.7968 120.1766 54.9312 18.0687 179.9134 75 V 3.2462 7.3117 116.0557 65.9501 31.6743 178.0969 76 K 4.1963 8.1109 116.3633 57.7153 32.9748 176.6480 77 N 5.1302 7.7429 117.1380 52.3871 39.3690 176.0254 78 M 4.3234 8.1327 118.1197 58.1173 32.4561 177.6178 79 D 5.0075 8.0740 115.9551 54.3287 41.8536 175.9693 80 N 5.0846 8.4754 119.6107 51.8445 39.5714 176.5471 81 I 3.5333 8.0073 120.6328 63.9623 37.2803 177.4192 82 K 3.7608 7.9423 118.6191 59.6367 32.3942 178.1146 83 A 4.1489 7.9175 120.2631 55.5676 18.1870 179.4363 84 T 3.9466 7.7238 113.0104 66.5368 68.3552 175.3555 85 Y 4.4701 8.0625 116.1371 57.5566 38.1671 176.9900 86 A 4.0412 7.7758 124.0843 55.7607 18.3884 180.1411 87 E 3.9544 8.1120 116.1015 59.3150 29.4974 179.4946 88 L 3.8927 7.7379 118.7920 57.5862 41.6572 179.0479 89 S 4.5890 8.4767 114.7780 60.7989 62.2242 176.2283 90 V 3.4995 7.6039 120.6708 65.9869 31.1483 177.3174 91 L 3.8580 8.0047 120.0336 58.9562 41.8841 178.8838 92 H 4.2169 8.5311 115.7697 58.8405 28.6689 176.2968 93 S 4.5415 8.4217 116.5582 59.7661 63.0367 175.7877 94 E 3.7797 7.8768 124.2317 59.4401 29.8447 179.1395 95 K 4.0423 7.9353 117.9607 59.0366 32.6390 177.5349 96 L 4.2471 7.8460 115.6877 54.8341 42.5985 176.5507 97 H 4.0474 7.5789 115.5655 56.6861 26.3891 175.2779 98 V 3.3734 8.1410 119.7255 61.3254 32.2820 175.0953 99 D 4.3324 8.3583 128.0522 53.8134 41.4612 175.3743 100 P 3.9405 0.0000 0.0000 65.9381 31.1589 178.0656 101 D 4.3508 8.1401 118.4510 57.5096 40.5873 178.4980 102 N 4.3496 7.9586 116.9197 55.9370 38.4013 177.2935 103 F 4.4350 7.2356 119.5457 60.7532 38.9159 177.8474 104 K 4.0841 8.0762 117.5109 59.2046 31.9786 179.3054 105 L 3.7936 7.7558 119.0919 57.5650 41.3860 179.3198 106 L 3.9973 8.1206 120.2973 58.3084 42.0024 178.9362 107 S 4.1784 8.2656 115.1533 62.0689 62.7987 176.6575 108 D 4.4781 8.4974 121.4781 57.4524 40.4514 178.7263 109 C 4.1978 8.1587 117.3891 62.6368 28.1861 175.7047 110 L 3.9704 8.2683 122.1981 58.5274 41.6530 178.9592 111 T 4.0662 8.3853 115.9050 67.1397 68.6157 176.6406 112 I 3.8237 7.8364 121.4204 64.1534 37.1306 178.7667 113 V 3.5318 8.0050 119.5224 65.7882 31.3449 178.3317 114 V 3.2197 8.0679 118.2311 65.6616 31.1810 177.7513 115 A 3.4417 7.7024 120.6595 54.9442 17.9441 179.5289 116 A 3.8574 7.4579 117.7476 55.1752 18.5386 179.4259 117 Q 3.9584 7.5322 116.6133 59.5068 29.0753 178.2064 118 L 4.1056 8.3423 120.2845 56.3494 42.1060 178.1950 119 G 4.0937 8.8440 108.2803 45.6991 0.0000 176.0097 120 K 3.9161 9.0068 119.7646 59.4885 32.1940 177.9953 121 A 4.0855 7.5711 119.6211 54.6149 18.8161 177.9785 122 F 4.5059 8.1148 121.0533 57.0694 37.8803 174.9229 123 S 4.5433 7.4764 120.7016 57.2175 65.9244 175.3429 124 G 3.5345 8.3969 107.5381 47.9430 0.0000 175.4593 125 E 3.9643 8.0978 120.7484 59.1413 29.5414 179.5266 126 V 3.6566 7.7643 118.0852 66.1433 31.5291 177.8252 127 Q 3.7015 7.9304 119.4144 58.7582 28.7339 177.7367 128 A 4.0477 8.6040 122.0473 55.4566 18.3505 179.4625 129 A 4.1745 8.0766 118.2626 55.2715 18.4454 179.5483 130 F 4.4081 8.4738 119.1737 61.7711 39.5672 177.1327 131 Q 4.0381 8.7127 119.4642 58.9567 28.8242 178.0865 132 K 3.9871 8.3316 120.7765 59.5001 32.2247 178.2396 133 F 4.4715 8.7524 121.0158 61.7346 39.2389 176.8816 134 L 3.6835 8.3328 118.6767 58.0010 41.4264 179.8220 135 S 4.0819 8.5725 115.2902 61.5770 62.7407 177.0423 136 V 3.4918 7.6983 120.8516 65.7795 31.3288 178.1612 137 V 3.0644 7.4659 118.1794 65.9512 31.2795 178.1983 138 V 3.3906 7.8481 118.1541 65.8862 31.1148 177.8704 139 S 4.0509 7.8489 111.7791 61.3963 62.3061 175.7831 140 A 4.0771 7.6534 122.4130 54.9652 18.4768 179.2702 141 L 4.0649 7.9755 117.7787 56.4343 41.5291 177.7940 142 G 4.2571 7.2332 106.9935 44.6349 0.0000 172.8515 143 K 3.7437 8.4202 120.6129 56.4346 32.4165 175.8708 144 Q 4.2627 8.2961 125.3709 55.3005 29.2854 175.1211 145 Y 4.5427 8.3686 119.5950 58.0759 39.0587 175.5477 146 H 4.5958 7.8172 122.1964 55.9728 29.8059 173.0841 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 V 8.04 3.69 1.74 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 0.57 0.00 0.00 -0.19 0.00 0.00 2 V 7.85 3.87 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 0.68 0.00 0.00 0.93 0.00 0.00 3 W 8.29 4.73 0.00 3.34 3.14 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 0.00 0.00 0.00 4 T 9.22 4.43 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 1.30 0.00 0.00 5 D 8.65 4.42 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 6 F 8.38 4.09 0.00 3.10 3.14 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 0.00 0.00 0.00 7 E 8.21 4.00 0.00 2.51 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 0.00 2.63 2.66 0.00 8 R 8.03 3.61 0.00 2.01 1.88 0.00 3.15 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.86 0.00 9 A 8.03 3.90 1.22 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 0.00 0.00 10 T 7.66 3.66 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 1.09 0.00 0.00 11 I 7.68 3.65 1.48 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.07 0.00 0.00 12 A 7.74 3.95 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 13 D 8.02 4.93 0.00 2.77 2.77 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 14 I 8.14 3.72 1.99 0.00 0.00 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 1.40 0.85 0.34 0.00 0.00 15 F 8.30 4.15 0.00 3.28 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 16 S 8.25 4.26 0.00 4.06 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 17 K 7.82 4.22 0.00 1.86 1.83 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 18 L 6.88 4.27 0.00 1.81 1.65 0.35 0.71 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 19 D 8.50 4.52 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.49 4.57 0.00 2.95 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 21 E 8.56 4.39 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 2.40 2.27 0.00 22 A 9.03 3.96 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 23 V 8.44 3.63 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 1.04 0.00 0.00 0.93 0.00 0.00 24 G 7.79 3.93 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 0.00 0.00 0.00 25 G 8.42 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 26 A 8.01 4.04 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 27 T 8.12 3.79 4.41 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 0.00 0.00 0.00 1.28 0.00 0.00 28 L 7.82 3.87 0.00 1.76 1.61 0.64 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.88 3.92 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 30 R 8.17 3.76 0.00 2.05 2.14 0.00 3.09 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 C 8.13 4.27 0.00 3.18 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 32 L 8.08 4.05 0.00 1.65 1.63 0.59 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.37 3.68 1.81 0.00 0.00 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 1.34 0.57 0.82 0.00 0.00 34 V 7.84 3.50 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 -0.15 0.00 0.00 0.77 0.00 0.00 35 Y 7.28 4.07 0.00 2.57 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.99 0.00 2.21 2.08 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 37 W 7.84 4.30 0.00 3.57 3.54 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 38 T 7.36 4.20 4.45 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 1.09 0.00 0.00 39 Q 7.93 4.16 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 40 R 8.11 3.87 0.00 1.71 1.60 0.00 3.16 0.00 0.00 2.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 41 Y 7.68 4.16 0.00 2.68 2.41 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 0.00 0.00 0.00 0.00 42 F 8.15 4.58 0.00 2.62 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 43 G 8.42 3.93 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 0.00 0.00 0.00 44 N 8.14 5.01 0.00 2.92 2.92 0.00 0.00 6.70 7.45 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 45 F 8.33 4.69 0.00 3.23 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 46 G 8.27 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.67 4.56 0.00 2.72 2.83 0.00 0.00 6.61 7.78 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 48 L 8.39 4.80 0.00 1.71 1.66 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.18 4.49 0.00 2.90 3.20 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 50 N 7.67 4.86 0.00 2.63 2.54 0.00 0.00 7.09 7.74 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 51 A 8.54 3.95 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 52 A 8.13 3.97 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 53 A 7.87 3.98 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 0.00 0.00 54 I 7.87 3.79 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 0.87 0.00 0.00 55 M 7.78 3.89 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 56 G 7.54 3.91 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 0.00 0.00 0.00 57 N 7.93 4.54 0.00 3.06 2.84 0.00 0.00 6.94 7.43 0.00 0.00 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 P 0.00 4.42 0.00 2.29 2.28 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 59 M 8.34 3.91 0.00 1.44 2.40 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 60 I 8.05 3.88 2.08 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 1.60 0.82 0.88 0.00 0.00 61 A 7.66 3.95 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 62 K 8.26 3.78 0.00 1.84 2.07 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.61 7.81 63 H 8.93 4.47 0.00 3.66 3.58 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.70 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 65 T 8.02 4.17 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 66 T 7.75 3.98 4.38 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 1.24 0.00 0.00 67 I 7.79 3.68 2.03 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 1.54 0.62 0.94 0.00 0.00 68 L 7.79 3.88 0.00 1.63 0.97 0.85 1.13 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 69 H 8.36 4.26 0.00 3.28 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.32 3.57 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 0.00 0.00 0.00 71 L 8.09 4.07 0.00 1.98 1.87 1.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.18 4.13 0.00 2.85 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 73 R 7.70 3.93 0.00 2.13 2.11 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 74 A 7.80 4.07 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 75 V 7.31 3.25 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.34 0.00 0.00 76 K 8.11 4.20 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.63 7.81 77 N 7.74 5.13 0.00 2.77 2.72 0.00 0.00 6.83 7.52 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 78 M 8.13 4.32 0.00 1.38 1.87 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.17 0.00 79 D 8.07 5.01 0.00 2.73 2.77 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 80 N 8.48 5.08 0.00 2.71 2.68 0.00 0.00 7.19 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 81 I 8.01 3.53 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.27 0.00 0.00 82 K 7.94 3.76 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 83 A 7.92 4.15 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 84 T 7.72 3.95 4.49 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 0.00 0.00 0.00 1.41 0.00 0.00 85 Y 8.06 4.47 0.00 3.05 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 86 A 7.78 4.04 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 87 E 8.11 3.95 0.00 1.96 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 0.00 2.39 2.33 0.00 88 L 7.74 3.89 0.00 1.54 1.47 0.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.48 4.59 0.00 4.05 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 90 V 7.60 3.50 2.20 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 0.98 0.00 0.00 0.95 0.00 0.00 91 L 8.00 3.86 0.00 1.72 1.84 0.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.53 4.22 0.00 3.34 3.66 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.42 4.54 0.00 3.91 3.76 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 94 E 7.88 3.78 0.00 1.90 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 0.00 2.25 2.35 0.00 95 K 7.94 4.04 0.00 1.74 1.94 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 96 L 7.85 4.25 0.00 1.60 1.67 0.77 1.47 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 97 H 7.58 4.05 0.00 3.28 3.40 0.00 5.84 0.00 0.00 0.00 0.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.14 3.37 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 -0.22 0.00 0.00 0.59 0.00 0.00 99 D 8.36 4.33 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.94 0.00 2.37 2.44 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 101 D 8.14 4.35 0.00 2.89 2.77 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 0.00 102 N 7.96 4.35 0.00 2.42 2.71 0.00 0.00 6.90 8.18 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 0.00 103 F 7.24 4.43 0.00 3.13 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 0.00 104 K 8.08 4.08 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.58 7.81 105 L 7.76 3.79 0.00 1.64 1.10 0.70 -0.25 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 0.00 106 L 8.12 4.00 0.00 1.87 1.98 0.99 0.92 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 0.00 107 S 8.27 4.18 0.00 4.18 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 0.00 108 D 8.50 4.48 0.00 2.96 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 0.00 109 C 8.16 4.20 0.00 3.23 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.27 3.97 0.00 1.83 1.98 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.39 4.07 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 1.54 0.00 0.00 112 I 7.84 3.82 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.91 0.00 0.00 113 V 8.00 3.53 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 0.93 0.00 0.00 0.94 0.00 0.00 114 V 8.07 3.22 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 0.00 0.00 0.67 0.00 0.00 115 A 7.70 3.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.46 3.86 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 0.00 117 Q 7.53 3.96 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 118 L 8.34 4.11 0.00 1.67 1.70 0.83 0.92 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 0.00 119 G 8.84 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 0.00 0.00 0.00 0.00 120 K 9.01 3.92 0.00 1.77 1.93 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.42 7.81 121 A 7.57 4.09 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 0.00 122 F 8.11 4.51 0.00 2.84 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 0.00 123 S 7.48 4.54 0.00 4.06 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 0.00 124 G 8.40 3.53 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 0.00 125 E 8.10 3.96 0.00 1.99 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 2.21 2.26 0.00 126 V 7.76 3.66 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 0.90 0.00 0.00 1.07 0.00 0.00 127 Q 7.93 3.70 0.00 1.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 128 A 8.60 4.05 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 0.00 129 A 8.08 4.17 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.47 4.41 0.00 3.39 3.46 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 0.00 0.00 0.00 131 Q 8.71 4.04 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 132 K 8.33 3.99 0.00 2.15 2.30 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.17 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.49 1.45 7.81 133 F 8.75 4.47 0.00 3.13 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 0.00 134 L 8.33 3.68 0.00 1.62 1.62 0.63 0.65 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 0.00 135 S 8.57 4.08 0.00 3.99 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 0.00 136 V 7.70 3.49 2.23 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 0.95 0.00 0.00 0.91 0.00 0.00 137 V 7.47 3.06 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 0.87 0.00 0.00 0.01 0.00 0.00 138 V 7.85 3.39 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 1.02 0.00 0.00 0.98 0.00 0.00 139 S 7.85 4.05 0.00 3.96 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 0.00 140 A 7.65 4.08 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 0.00 141 L 7.98 4.06 0.00 1.10 0.54 0.53 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.23 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 0.00 0.00 0.00 0.00 143 K 8.42 3.74 0.00 1.60 1.39 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.41 1.14 7.81 144 Q 8.30 4.26 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 145 Y 8.37 4.54 0.00 2.61 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 0.00 146 H 7.82 4.60 0.00 3.13 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00