NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4706 8.2893 120.3493 55.3813 32.9858 174.5936 1 V 4.3731 8.0590 125.0245 59.5543 34.4977 172.8080 2 L 4.5652 8.0575 122.7823 52.9005 44.2624 178.5148 3 S 4.3936 8.6618 117.9033 58.0587 64.9189 175.1185 4 E 4.2498 8.9328 123.0518 59.6365 29.3032 179.1965 5 G 3.6800 8.1570 105.1539 47.9692 0.0000 175.3428 6 E 3.9309 8.2876 121.0042 58.8851 29.3911 179.3761 7 W 4.4366 8.2450 119.0807 60.0848 29.0424 178.6021 8 Q 4.1749 8.6366 118.1397 58.8279 28.0947 178.7294 9 L 4.0520 8.0446 120.2009 57.8222 41.6327 179.7576 10 V 3.7588 7.9948 118.0735 66.2027 31.5670 178.1683 11 L 4.2039 8.6233 119.1779 57.7243 41.2400 178.9817 12 H 4.1781 8.7660 119.0619 59.3792 29.9140 177.8359 13 V 3.7106 8.0083 120.9788 64.4492 31.1204 178.0299 14 W 3.8920 8.6828 129.0383 60.1324 30.5447 177.6830 15 A 3.9700 8.2207 120.8553 55.1294 17.5275 179.7757 16 K 3.8035 7.2134 114.7487 59.3628 32.3580 179.3841 17 V 2.8582 7.1189 118.4802 65.8045 31.0716 178.0219 18 E 3.8739 7.8315 116.6130 58.7307 29.2958 178.7437 19 A 4.1740 7.3827 119.5016 53.8172 20.0078 177.6124 20 D 4.7084 7.7678 116.6700 52.3950 42.8548 175.9352 21 V 3.5658 7.7628 124.3795 64.6908 32.0081 178.2791 22 A 4.1049 8.0148 121.3696 54.6867 18.2306 179.7247 23 G 3.4508 8.3373 104.1994 48.2666 0.0000 175.7413 24 H 4.1421 8.3925 119.0619 58.3596 28.6446 178.1849 25 G 3.5567 8.5745 107.9323 47.7742 0.0000 175.7328 26 Q 3.9489 8.2739 120.8246 58.8555 28.7893 178.6404 27 D 4.3003 8.1007 119.7677 57.4233 40.7565 179.1174 28 I 3.6458 7.9454 120.3883 64.4640 37.0932 178.6072 29 L 3.4956 7.8948 119.8260 57.4784 41.2846 179.6684 30 I 3.7021 7.8155 119.9906 64.2509 36.9810 178.4091 31 R 3.7733 7.9594 119.5287 59.1807 29.8493 178.0800 32 L 3.8037 7.8946 120.4215 58.4768 41.9419 179.1412 33 F 4.5362 8.0436 117.5136 60.1376 38.5781 178.0235 34 K 4.0518 8.0659 117.9988 59.3641 31.9471 179.1981 35 S 4.2362 8.0588 114.8251 60.4855 64.3465 174.6177 36 H 4.9024 8.4887 117.5085 51.5594 29.4738 172.2618 37 P 4.7380 0.0000 0.0000 64.8001 31.1585 178.3884 38 E 4.0997 8.2365 117.6520 59.4153 29.3318 178.7807 39 T 4.0712 8.2456 110.5017 64.0812 68.9149 176.5338 40 L 3.9276 7.9918 122.2541 57.6282 41.3135 178.7769 41 E 4.0996 7.8812 117.9219 58.7172 29.6411 178.2178 42 K 4.3210 7.9607 116.6210 56.3432 32.7337 176.6454 43 F 4.7454 8.0415 119.0310 55.4436 39.4238 175.5308 44 D 4.4228 8.8953 126.7250 57.7021 40.6373 179.5814 45 R 3.9865 7.5235 113.8606 57.2829 30.1741 176.9780 46 F 5.0587 7.8931 115.7857 56.9111 40.8701 177.2375 47 K 3.8915 7.6587 120.0717 59.5792 31.8899 177.6923 48 H 4.3409 8.2609 112.1063 56.7302 28.8527 174.9798 49 L 4.3553 7.7838 121.4865 53.7020 41.5615 175.8313 50 K 4.2664 9.5693 123.8978 58.0319 33.4782 178.1032 51 T 4.5047 7.5900 108.4006 60.1084 72.0269 174.9964 52 E 3.9200 8.5838 121.6312 59.2094 29.4910 178.8111 53 A 3.9696 7.9278 120.4533 55.2846 18.3159 179.2833 54 E 3.9325 7.7390 115.2849 59.7651 29.9051 179.2086 55 M 4.1699 8.0637 118.6994 58.4594 31.8313 179.0464 56 K 4.0083 8.1068 117.1629 58.7862 32.2885 178.3231 57 A 4.5290 7.5171 118.2417 51.1545 19.4136 176.8955 58 S 4.3373 7.5063 114.0992 57.2882 62.9814 174.4733 59 E 4.0126 8.9449 129.0686 59.3569 29.3686 178.1229 60 D 4.5175 8.2515 118.6171 57.4732 40.8840 178.5280 61 L 3.9307 8.1815 120.6835 57.8728 42.1240 178.8372 62 K 3.9119 8.0379 119.5174 59.4887 32.1853 178.7897 63 K 3.9689 8.5656 119.1338 59.9872 31.9640 178.8699 64 H 4.4576 8.9155 118.8564 58.9801 29.7729 177.4628 65 G 3.6374 8.4507 108.0648 47.8063 0.0000 175.8058 66 V 3.6188 7.7798 120.7701 65.9302 31.5405 178.1931 67 T 3.8940 7.9531 115.4722 66.6158 68.2288 176.7554 68 V 3.6373 8.0821 120.3693 66.2022 31.6385 178.1712 69 L 4.2255 8.1634 118.6613 57.9301 41.3772 179.7915 70 T 3.9710 8.2132 115.7352 66.5049 68.1982 176.5376 71 A 4.0083 8.1550 122.7096 55.1764 18.3632 179.4126 72 L 3.6855 8.2977 119.2044 58.1124 42.1320 179.2684 73 G 3.2819 8.5872 105.8321 47.7440 0.0000 175.4001 74 A 4.0076 7.7236 122.0704 54.8022 18.6304 179.6338 75 I 3.7696 7.4080 118.0272 64.6369 37.3076 178.4615 76 L 3.9414 7.8344 120.0621 57.9226 41.2086 179.5640 77 K 4.0647 7.7215 116.1323 58.0495 32.3428 178.7324 78 K 3.9452 7.9645 118.7063 56.1238 32.2012 176.8254 79 K 2.0000 8.0625 117.8230 56.3491 29.7647 176.4817 80 G 4.0580 7.8142 106.7827 45.7969 0.0000 174.2867 81 H 4.3670 7.4067 116.2866 55.7495 29.3666 174.2615 82 H 4.9039 8.5700 119.1009 53.9131 30.9131 173.6362 83 E 4.6397 8.4771 123.8296 53.8005 32.3715 176.1857 84 A 4.0672 8.8100 128.6932 55.3283 18.5489 179.3645 85 E 4.0757 8.6913 112.9327 58.5336 29.7803 177.6846 86 L 4.6244 7.6891 117.9179 54.3196 42.0587 177.4042 87 K 4.1123 7.9616 120.6608 58.8912 32.1305 176.3154 88 P 4.3856 0.0000 0.0000 62.1720 31.8338 175.4542 89 L 4.2972 8.3834 122.7419 53.8620 42.3788 176.4984 90 A 4.1348 8.6389 129.0630 53.0554 18.7944 176.3039 91 Q 4.5412 8.4188 121.5990 54.7148 31.8578 173.7751 92 S 4.8357 8.4476 118.2197 56.5087 66.1694 174.1663 93 H 4.2480 8.6336 116.0093 57.0340 29.0589 176.7976 94 A 3.9691 8.3296 123.7482 54.4948 18.4332 177.4477 95 T 4.7944 7.2909 108.3719 60.1343 70.3155 173.8282 96 K 4.1443 8.0901 125.5840 58.1109 33.4008 176.7349 97 H 4.6069 7.5996 116.8550 54.1544 30.0927 174.8039 98 K 4.0151 8.0589 121.5487 55.9071 32.5260 177.1306 99 I 3.8397 8.2224 125.0941 59.9344 38.1124 174.3169 100 P 4.3600 0.0000 0.0000 62.3483 32.1147 177.2941 101 I 3.5056 8.2635 122.3870 64.5369 36.9007 178.7323 102 K 3.8680 7.8829 118.9263 60.2820 32.0796 178.6423 103 Y 3.9710 7.9820 117.7242 60.6588 37.7629 178.2021 104 L 4.1576 7.9855 120.1411 57.5573 41.6146 179.3206 105 E 4.0238 7.8768 118.3806 59.3407 29.5855 179.1028 106 F 4.5056 7.7837 117.8457 60.8520 38.9547 177.6572 107 I 3.8555 8.3690 118.4394 63.8729 37.7592 178.0488 108 S 4.2374 8.3588 116.4094 61.6281 62.6676 176.3529 109 E 4.0549 8.3908 121.0466 59.4317 29.1349 179.3716 110 A 4.0161 7.9332 120.4133 55.0982 18.3742 179.6127 111 I 3.6467 8.1585 118.7404 64.7066 37.2286 178.6627 112 I 3.8836 7.9093 120.4254 64.6619 36.8829 177.9326 113 H 4.1087 8.4105 118.9909 59.4281 29.6617 177.5354 114 V 3.5556 8.0746 120.1965 65.9219 31.3416 177.9655 115 L 3.7527 7.9944 119.0126 57.8659 41.0306 179.0244 116 H 4.4635 8.0282 117.4871 59.1781 29.9091 176.9384 117 S 4.1179 8.0584 114.3943 61.5389 62.3456 176.0562 118 R 4.0599 7.8816 119.0384 57.8796 30.4441 176.4757 119 H 5.0484 8.1871 116.2060 53.9961 30.1842 173.2089 120 P 4.3120 0.0000 0.0000 65.8980 31.7576 178.6925 121 G 3.8363 8.3042 106.8747 48.5775 0.0000 173.6308 122 D 4.8190 7.7571 116.5383 53.5076 41.5092 177.0052 123 F 4.9222 7.8808 119.6336 56.2682 39.5536 174.3827 124 G 3.9572 7.4398 110.0912 44.1196 0.0000 171.4059 125 A 3.8690 8.4743 120.5180 55.3257 18.3319 179.9345 126 D 4.1472 7.8855 116.5180 57.5021 41.0166 178.6905 127 A 3.9201 7.6877 120.7267 55.0545 18.4214 179.4832 128 Q 3.4627 7.7139 116.9318 58.8377 28.7654 179.2464 129 G 3.5603 8.1578 106.7179 47.6932 0.0000 175.5575 130 A 3.8005 7.8503 123.2412 55.0351 18.3588 179.3962 131 M 3.9867 8.3724 117.1519 58.8020 32.2856 178.0065 132 N 4.3492 8.6565 117.0172 56.4010 38.7128 177.4957 133 K 3.8904 8.0960 119.4202 59.3989 32.0644 179.3189 134 A 3.9081 8.0821 121.2918 55.1649 18.1905 179.7464 135 L 4.0976 8.3926 117.9675 57.6631 41.5966 179.2706 136 E 3.9436 8.4545 119.5591 59.3118 29.5180 178.8564 137 L 4.0065 8.1488 119.0521 57.7006 41.6987 179.0471 138 F 4.2802 8.5320 120.7211 61.6970 39.2165 177.5015 139 R 3.4073 8.2364 117.5424 58.9633 29.7723 179.1233 140 K 3.8381 8.1616 118.4459 59.3773 32.0542 178.7066 141 D 4.2959 8.3118 118.4561 57.5109 41.1413 178.4487 142 I 3.5808 7.5284 119.8625 64.3157 37.0676 178.2511 143 A 3.6271 8.0532 121.6874 54.9655 18.0777 179.5170 144 A 3.9234 8.1254 119.3580 55.1861 18.4515 180.0285 145 K 3.9213 8.1441 116.9356 59.8967 32.0939 179.1385 146 Y 4.1373 8.3743 117.0707 60.8846 37.4187 178.6868 147 K 3.8890 8.2430 120.4683 59.6303 32.1567 178.4512 148 E 3.9512 8.1140 118.1249 58.7071 29.6185 177.8395 149 L 4.1949 7.6385 116.3750 53.6241 42.4478 176.3996 150 G 3.6793 7.5162 105.3651 46.8637 0.0000 173.0625 151 Y 4.8616 7.5505 116.0802 55.6585 40.1225 175.7631 152 Q 4.2758 8.6840 124.9029 55.5344 29.8799 175.9741 153 G 3.9327 8.8406 113.3281 45.7614 0.0000 172.8704 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 0 M 8.29 4.47 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 1 V 8.06 4.37 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 0.78 0.00 0.00 0.96 0.00 0.00 2 L 8.06 4.57 0.00 0.58 0.84 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.66 4.39 0.00 4.06 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 4 E 8.93 4.25 0.00 2.20 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 2.44 2.52 0.00 5 G 8.16 3.68 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 0.00 0.00 0.00 6 E 8.29 3.93 0.00 1.94 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 0.00 2.22 2.26 0.00 7 W 8.25 4.44 0.00 3.60 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.64 4.17 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 9 L 8.04 4.05 0.00 1.91 1.76 0.92 0.86 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 10 V 7.99 3.76 2.47 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 1.25 0.00 0.00 0.91 0.00 0.00 11 L 8.62 4.20 0.00 1.83 1.80 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.77 4.18 0.00 3.40 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.01 3.71 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 1.03 0.00 0.00 0.79 0.00 0.00 14 W 8.68 3.89 0.00 3.64 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.22 3.97 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 16 K 7.21 3.80 0.00 1.60 1.59 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.43 7.81 17 V 7.12 2.86 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 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 18 E 7.83 3.87 0.00 2.01 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 2.25 0.00 19 A 7.38 4.17 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 20 D 7.77 4.71 0.00 2.71 2.53 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 21 V 7.76 3.57 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 0.82 0.00 0.00 0.87 0.00 0.00 22 A 8.01 4.10 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 23 G 8.34 3.45 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 0.00 24 H 8.39 4.14 0.00 3.21 3.20 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 25 G 8.57 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.27 3.95 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 27 D 8.10 4.30 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.65 1.87 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 1.49 0.74 0.87 0.00 0.00 29 L 7.89 3.50 0.00 1.50 1.31 0.91 0.38 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 30 I 7.82 3.70 1.88 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 1.39 0.63 0.89 0.00 0.00 31 R 7.96 3.77 0.00 1.93 2.07 0.00 3.04 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.89 3.80 0.00 1.53 1.28 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.04 4.54 0.00 3.02 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 34 K 8.07 4.05 0.00 1.76 1.82 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.54 7.81 35 S 8.06 4.24 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.49 4.90 0.00 3.04 2.97 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.74 0.00 2.26 2.31 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.85 0.00 38 E 8.24 4.10 0.00 2.26 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 0.00 2.43 2.43 0.00 39 T 8.25 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 40 L 7.99 3.93 0.00 1.86 1.67 0.82 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.10 0.00 2.05 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 2.36 2.39 0.00 42 K 7.96 4.32 0.00 1.53 1.54 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.74 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.75 2.07 7.81 43 F 8.04 4.75 0.00 3.39 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 44 D 8.90 4.42 0.00 2.77 2.72 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 45 R 7.52 3.99 0.00 1.38 1.66 0.00 3.01 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 46 F 7.89 5.06 0.00 2.88 2.54 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 47 K 7.66 3.89 0.00 1.71 1.93 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.62 7.81 48 H 8.26 4.34 0.00 3.28 3.42 0.00 5.51 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 49 L 7.78 4.36 0.00 1.56 1.55 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.57 4.27 0.00 1.66 1.82 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.28 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.49 7.81 51 T 7.59 4.50 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.58 3.92 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 53 A 7.93 3.97 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 54 E 7.74 3.93 0.00 2.08 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 2.35 2.35 0.00 55 M 8.06 4.17 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.52 0.00 56 K 8.11 4.01 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.64 7.81 57 A 7.52 4.53 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 58 S 7.51 4.34 0.00 4.04 3.92 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 59 E 8.94 4.01 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 60 D 8.25 4.52 0.00 2.94 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 61 L 8.18 3.93 0.00 1.64 1.79 0.85 0.51 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 62 K 8.04 3.91 0.00 1.91 1.96 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 63 K 8.57 3.97 0.00 2.11 1.94 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.76 7.81 64 H 8.92 4.46 0.00 3.75 3.63 0.00 5.79 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 65 G 8.45 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 66 V 7.78 3.62 2.27 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 1.05 0.00 0.00 0.94 0.00 0.00 67 T 7.95 3.89 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 1.26 0.00 0.00 68 V 8.08 3.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.98 0.00 0.00 69 L 8.16 4.23 0.00 1.79 1.85 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.21 3.97 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 1.26 0.00 0.00 71 A 8.15 4.01 1.48 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 0.00 0.00 72 L 8.30 3.69 0.00 1.49 1.80 -0.38 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.59 3.28 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 0.00 74 A 7.72 4.01 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 75 I 7.41 3.77 2.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 1.03 0.00 0.00 76 L 7.83 3.94 0.00 1.27 1.50 -0.35 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.72 4.06 0.00 1.65 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.50 7.81 78 K 7.96 3.95 0.00 1.78 1.86 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.57 1.55 7.81 79 K 8.06 2.00 0.00 1.30 0.74 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.58 1.07 7.81 80 G 7.81 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 81 H 7.41 4.37 0.00 3.15 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.57 4.90 0.00 3.10 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.48 4.64 0.00 1.90 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 0.00 2.24 2.18 0.00 84 A 8.81 4.07 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 85 E 8.69 4.08 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 86 L 7.69 4.62 0.00 1.81 1.75 0.91 0.70 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 87 K 7.96 4.11 0.00 1.98 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.43 7.81 88 P 0.00 4.39 0.00 2.08 2.02 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 89 L 8.38 4.30 0.00 1.74 1.73 1.21 1.11 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 90 A 8.64 4.13 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 Q 8.42 4.54 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 92 S 8.45 4.84 0.00 4.09 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 93 H 8.63 4.25 0.00 3.16 3.37 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.33 3.97 1.12 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 95 T 7.29 4.79 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 1.23 0.00 0.00 96 K 8.09 4.14 0.00 1.63 1.92 0.00 2.04 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.14 7.81 97 H 7.60 4.61 0.00 2.98 3.11 0.00 5.65 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 98 K 8.06 4.02 0.00 1.49 1.24 0.00 0.98 0.00 0.00 1.27 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.60 7.81 99 I 8.22 3.84 1.99 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 1.03 0.00 0.00 100 P 0.00 4.36 0.00 1.76 1.78 0.00 2.38 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.81 0.00 101 I 8.26 3.51 1.72 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.75 0.00 0.00 102 K 7.88 3.87 0.00 1.61 1.93 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.42 1.57 7.81 103 Y 7.98 3.97 0.00 3.17 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 0.00 104 L 7.99 4.16 0.00 1.80 1.74 0.61 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.88 4.02 0.00 2.01 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 2.38 2.32 0.00 106 F 7.78 4.51 0.00 3.17 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 0.00 107 I 8.37 3.86 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 1.16 0.00 0.00 108 S 8.36 4.24 0.00 4.19 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 0.00 109 E 8.39 4.05 0.00 2.30 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 2.42 2.64 0.00 110 A 7.93 4.02 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 0.00 111 I 8.16 3.65 2.11 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 1.59 0.81 1.03 0.00 0.00 112 I 7.91 3.88 2.15 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.07 1.12 0.00 0.00 113 H 8.41 4.11 0.00 3.31 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.07 3.56 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 0.97 0.00 0.00 0.98 0.00 0.00 115 L 7.99 3.75 0.00 0.61 0.40 0.67 0.88 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 0.00 116 H 8.03 4.46 0.00 3.55 3.56 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.06 4.12 0.00 3.83 3.92 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 0.00 118 R 7.88 4.06 0.00 1.46 1.53 0.00 3.10 0.00 0.00 2.89 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 119 H 8.19 5.05 0.00 3.26 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.19 2.25 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.30 3.84 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 0.00 0.00 0.00 122 D 7.76 4.82 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.88 4.92 0.00 3.02 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 0.00 124 G 7.44 3.96 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 0.00 125 A 8.47 3.87 1.26 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 0.00 126 D 7.89 4.15 0.00 2.71 2.66 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 0.00 127 A 7.69 3.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.71 3.46 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 129 G 8.16 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.85 3.80 1.26 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 0.00 131 M 8.37 3.99 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 132 N 8.66 4.35 0.00 2.94 2.86 0.00 0.00 7.04 7.89 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 0.00 133 K 8.10 3.89 0.00 1.76 1.70 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.54 7.81 134 A 8.08 3.91 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 0.00 135 L 8.39 4.10 0.00 1.94 1.87 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.45 3.94 0.00 2.13 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 0.00 2.31 2.36 0.00 137 L 8.15 4.01 0.00 2.06 1.84 1.10 0.88 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 0.00 138 F 8.53 4.28 0.00 3.06 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 0.00 139 R 8.24 3.41 0.00 1.95 1.80 0.00 3.13 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.99 0.00 140 K 8.16 3.84 0.00 1.93 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.60 7.81 141 D 8.31 4.30 0.00 2.93 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 0.00 142 I 7.53 3.58 1.52 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 0.99 0.02 0.55 0.00 0.00 143 A 8.05 3.63 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 0.00 144 A 8.13 3.92 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 0.00 145 K 8.14 3.92 0.00 2.14 1.97 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.72 7.81 146 Y 8.37 4.14 0.00 3.10 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 0.00 147 K 8.24 3.89 0.00 1.83 1.97 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 148 E 8.11 3.95 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 149 L 7.64 4.19 0.00 0.68 0.84 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.52 3.68 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 0.00 0.00 0.00 151 Y 7.55 4.86 0.00 2.44 2.29 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 0.00 152 Q 8.68 4.28 0.00 2.02 2.02 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 2.34 2.43 0.00 153 G 8.84 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