NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3090 8.1693 120.6292 54.5795 42.9758 176.9711 5 T 4.0479 8.3099 113.6379 60.8664 70.9363 172.3008 6 E 4.0046 8.7593 119.8666 59.4678 29.5198 180.3013 7 E 4.0468 8.1428 118.8618 59.5614 29.6721 178.7982 8 Q 4.0415 7.9792 117.9231 58.8773 28.2577 178.5671 9 I 4.0857 7.7851 119.5623 63.9285 37.9144 177.8219 10 A 4.1208 7.8703 120.5157 55.0561 18.3033 179.4888 11 E 4.0404 8.0439 116.9358 59.4825 29.4737 179.4496 12 F 4.5863 8.2103 117.6291 60.0462 38.7217 177.6979 13 K 3.0519 7.6114 118.5758 59.0959 32.0764 178.4538 14 E 4.0894 7.9164 117.3666 59.2337 29.3840 178.9945 15 A 4.1266 8.0519 120.5945 55.3720 18.4174 179.3643 16 F 4.1482 8.7858 119.4541 61.4469 39.0959 177.3984 17 S 4.0388 7.6964 112.7445 60.8877 62.7838 176.1035 18 L 4.0561 7.7397 122.3243 57.2671 41.3646 179.0528 19 F 4.1554 7.8714 116.8294 59.5700 40.7297 176.5846 20 D 4.4671 7.5569 120.6522 52.7239 38.0287 176.6069 21 K 4.0619 7.8285 122.4263 58.6988 32.8005 178.2455 22 D 4.4266 8.0088 116.3228 53.6562 39.9371 176.2220 23 G 3.7723 7.5521 106.9705 46.9667 0.0000 173.9176 24 D 4.6065 8.1241 118.0804 52.7674 40.4516 177.1840 25 G 4.1625 9.6750 109.7091 45.3861 0.0000 172.4781 26 T 5.0530 8.0509 114.6876 61.5598 71.7255 173.5605 27 I 4.7132 9.0107 126.4305 59.9356 41.1399 175.0162 28 T 5.4428 8.1070 114.1814 59.1738 71.8681 174.3632 29 T 4.0097 8.6349 116.2551 66.6573 68.4086 176.6248 30 K 3.9339 7.7913 121.5162 59.5187 32.3849 178.7040 31 E 3.9276 8.1269 118.2129 59.3370 29.4069 178.6460 32 L 4.3955 7.9687 120.1201 58.3776 42.0884 179.3410 33 G 3.6451 8.3269 105.2694 48.1747 0.0000 175.4012 34 T 3.8816 7.7544 119.0476 66.5370 68.3305 176.7754 35 V 3.4660 7.3924 117.7580 66.0244 31.5969 177.6798 36 M 4.2733 7.8924 118.7097 58.3765 31.7973 178.9488 37 R 4.7868 8.4085 119.7993 58.8333 30.1489 179.0289 38 S 4.3511 7.8986 111.6466 59.9243 62.8135 174.5843 39 L 4.5067 7.1895 122.5538 54.4999 42.6126 176.1984 40 G 3.6621 9.3036 103.2476 45.6051 0.0000 174.5595 41 Q 4.5530 7.3761 117.8750 54.7522 32.7047 172.5735 42 N 4.9958 8.4237 123.0548 50.8974 38.9026 170.9882 43 P 4.5059 0.0000 0.0000 61.8379 33.0555 177.6622 44 T 4.2644 8.9303 115.6451 61.0758 69.5598 175.2542 45 E 3.8896 8.7380 124.0336 59.6426 29.4868 178.9514 46 A 4.0402 7.9497 119.9925 55.0674 18.6356 179.2277 47 E 3.9351 8.1488 116.6890 59.4771 29.6148 179.4431 48 L 3.9841 7.8982 118.8739 57.9649 41.6422 179.2743 49 Q 4.0071 8.1173 119.4065 59.4164 28.7060 178.1597 50 D 4.3556 8.3192 119.4200 57.5862 41.3062 178.1311 51 M 4.1801 8.0667 118.3239 58.1804 32.0723 178.2219 52 I 3.7876 7.8405 120.2702 64.6583 36.8507 177.7042 53 N 4.2209 7.8673 117.1425 56.4063 38.1026 176.6064 54 E 4.0086 7.3286 118.6573 58.9068 29.6562 178.5280 55 V 4.3993 7.2162 108.0003 61.0433 32.8541 176.3741 56 D 4.6304 7.4867 121.1050 52.2931 39.5385 175.7773 57 A 4.0480 8.2772 126.2088 54.3994 18.8937 178.0351 58 D 4.6220 7.9358 116.3643 52.1664 40.1800 178.0483 59 G 4.0178 8.5315 116.2412 45.3876 0.0000 171.7963 60 N 4.8037 8.0863 115.7887 52.1949 39.5524 176.6466 61 G 3.8783 8.5751 107.1376 45.5314 0.0000 172.4105 62 T 4.8438 7.7629 113.2390 60.5352 69.8118 173.9760 63 I 4.9435 8.3382 125.1611 60.1104 42.2353 174.7545 64 D 5.3773 8.7760 126.1109 51.4448 42.0495 177.3027 65 F 3.2651 8.6455 119.4208 60.9196 39.2566 175.0971 66 P 3.7406 0.0000 0.0000 65.3380 31.0729 178.5015 67 E 3.9712 8.0977 117.3968 59.1660 29.1087 178.8976 68 F 4.0891 7.6705 119.8745 61.3689 39.4798 176.9303 69 L 3.6600 7.4109 118.3390 57.5837 41.2001 179.3645 70 T 3.8732 7.3281 108.1695 64.3600 68.7359 176.5561 71 M 4.0343 7.7348 120.1551 58.0303 32.2028 177.1406 72 M 3.8966 7.0490 117.3577 56.5420 32.9669 176.4673 73 A 4.1099 6.8701 122.4994 52.5874 20.1412 175.5081 74 R 4.3303 8.5948 118.5104 57.6883 30.9973 175.7371 *78 D 4.7563 9.1036 113.8656 53.7694 42.7166 179.0177 79 T 4.3577 7.5978 111.8993 62.6683 67.8777 175.8914 80 D 4.3087 7.9870 120.4233 57.6294 41.1378 177.9055 81 S 4.2884 8.1221 114.6536 61.8548 62.8474 176.2426 82 E 4.0474 8.1507 123.2866 58.4281 29.3280 178.4263 83 E 3.9902 7.8886 118.3052 59.2509 29.4145 179.0686 84 E 4.1453 8.0491 118.3404 59.1443 29.7776 179.1070 85 I 4.0608 7.8327 119.5136 64.2300 37.2469 178.4314 86 R 3.9523 8.3552 119.2873 59.3408 29.7620 178.7274 87 E 4.0685 8.1772 118.7954 58.9607 29.2585 178.6752 88 A 4.2076 8.2908 121.2750 55.0019 18.3829 179.2998 89 F 3.0116 8.2779 119.0173 61.2913 39.2642 177.4350 90 R 3.9031 7.7936 115.2782 58.2142 29.9095 178.7105 91 V 3.7131 7.2903 118.3218 65.6702 31.5472 177.7439 92 F 4.2701 7.6143 116.4590 59.6583 40.0996 177.0411 93 D 4.6774 7.6406 121.3937 53.0670 38.8782 176.4399 94 K 3.9388 8.2176 123.8123 58.5679 32.5009 177.7851 95 D 4.5906 8.2741 115.9471 52.3848 39.6537 176.8443 96 G 4.1491 7.7456 107.5038 46.9138 0.0000 174.0912 97 N 4.5918 8.0463 115.0326 52.5757 37.6557 175.9323 98 G 3.8350 9.6207 108.4124 45.3029 0.0000 172.9498 99 F 5.3726 7.8426 116.7536 55.7401 43.3125 174.3985 100 I 4.5102 9.4178 124.9299 60.4824 38.1856 175.7471 101 S 4.8707 9.0628 122.3906 57.1220 65.0798 175.2568 102 A 3.9919 8.8768 122.2201 55.6745 18.0641 179.9612 103 A 3.9891 7.9946 118.4660 55.2852 18.4870 179.6211 104 E 3.9431 8.2093 117.0193 59.3380 29.5370 179.1447 105 L 4.1161 8.2879 120.7373 58.2835 42.0850 179.0108 106 R 3.9172 8.1872 118.6163 59.5314 29.9793 177.8251 107 H 4.0597 8.0727 117.5657 59.2848 29.9839 177.2795 108 V 3.2909 7.5278 119.2841 66.1473 31.4822 177.1228 109 M 3.8787 8.3088 118.5454 59.4236 32.1350 178.4802 110 T 4.1217 8.2503 109.5697 64.5640 68.8465 176.2854 111 N 4.2823 7.8530 118.8766 55.8996 38.5587 176.2211 112 L 4.3717 7.4631 117.3987 54.3170 41.7805 177.6344 113 G 3.8682 7.6271 106.4551 45.6609 0.0000 173.8138 114 E 4.1937 7.8217 119.1054 55.3444 30.1266 176.2073 115 K 4.5938 8.2193 122.4602 54.9133 34.5583 175.3435 116 L 4.5121 7.8937 121.1634 53.7264 42.8957 175.0657 117 T 4.2707 8.5415 111.2850 61.3284 71.0745 175.5441 118 D 4.4106 8.5676 121.2226 57.4578 40.7632 178.9520 119 E 3.9709 8.1559 118.7604 59.5648 29.5588 179.0511 120 E 4.0785 7.9836 118.0818 59.1660 29.4501 179.6053 121 V 3.5887 7.8961 118.3501 66.2176 31.5659 177.7700 122 D 4.3809 8.0973 118.5997 57.3744 40.6229 178.4576 123 E 3.9230 8.6942 120.1562 59.6381 29.4206 178.8231 124 M 4.1034 7.8973 117.6250 58.2780 32.1261 178.6136 125 I 3.8741 7.7718 119.9441 64.4610 37.0730 178.2588 126 R 3.9058 8.2168 119.7281 59.7838 29.6433 178.3572 127 E 4.0152 8.1186 116.7389 58.6149 29.5887 178.2122 128 A 4.5143 7.6086 118.8369 52.0683 19.8407 177.8420 129 D 4.7436 7.4239 117.7832 52.5700 40.0116 176.6818 130 I 3.7392 8.0391 125.7081 63.9779 37.6349 177.8051 131 D 4.3882 8.1568 118.4911 54.5756 39.3414 176.8366 132 G 3.8175 7.8691 107.8336 46.3172 0.0000 173.3857 133 D 4.5413 8.4383 117.0404 52.3480 39.6896 177.2712 134 G 3.9255 9.0572 107.8738 46.0865 0.0000 173.3274 135 Q 4.6972 8.4105 117.1260 53.8482 32.7662 174.8580 136 V 4.5215 8.5535 119.3917 61.2164 32.7946 175.4615 137 N 5.1711 9.5481 128.5251 51.3910 40.3487 174.9520 138 Y 3.2746 7.9893 119.8090 60.6231 38.6960 177.7369 139 E 3.8068 8.1210 118.1177 59.3168 29.9130 178.7972 140 E 4.0048 8.6042 119.5860 58.7895 29.4831 179.0793 141 F 4.0056 8.0484 120.4907 61.1707 39.6239 177.2906 142 V 3.3525 7.5701 117.7732 66.3570 31.0723 177.9305 143 T 3.7927 7.5087 113.8987 66.8792 68.5524 175.9493 144 M 4.0460 7.8320 119.8684 58.8232 32.0842 177.8322 145 M 3.8003 7.4735 117.0329 58.4328 32.3379 177.3249 146 T 4.3091 7.2846 112.6880 63.3307 69.1233 174.8975 147 S 4.2579 7.6450 121.3931 58.4805 63.1573 173.9669 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 4 L 8.17 4.31 0.00 1.69 1.77 0.81 0.66 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 5 T 8.31 4.05 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 6 E 8.76 4.00 0.00 2.05 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 2.43 2.38 0.00 7 E 8.14 4.05 0.00 2.04 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 2.37 2.41 0.00 8 Q 7.98 4.04 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 9 I 7.79 4.09 2.15 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 1.63 1.48 1.09 0.00 0.00 10 A 7.87 4.12 1.41 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 0.00 0.00 11 E 8.04 4.04 0.00 1.84 1.85 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 2.49 2.41 0.00 12 F 8.21 4.59 0.00 3.56 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.61 3.05 0.00 1.54 1.78 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.96 0.30 7.81 14 E 7.92 4.09 0.00 2.22 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 2.50 2.46 0.00 15 A 8.05 4.13 1.70 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 0.00 0.00 16 F 8.79 4.15 0.00 3.09 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 17 S 7.70 4.04 0.00 3.98 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 18 L 7.74 4.06 0.00 1.75 1.54 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.87 4.16 0.00 2.51 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.56 4.47 0.00 2.02 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 0.00 0.00 0.00 21 K 7.83 4.06 0.00 1.73 1.81 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.30 7.81 22 D 8.01 4.43 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 23 G 7.55 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 0.00 0.00 0.00 24 D 8.12 4.61 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.68 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.05 5.05 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 1.25 0.00 0.00 27 I 9.01 4.71 2.18 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 1.03 0.00 0.00 28 T 8.11 5.44 4.27 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 1.24 0.00 0.00 29 T 8.63 4.01 4.27 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 1.24 0.00 0.00 30 K 7.79 3.93 0.00 1.84 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 31 E 8.13 3.93 0.00 2.31 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 2.53 2.42 0.00 32 L 7.97 4.40 0.00 2.15 1.90 1.15 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.33 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 0.00 0.00 0.00 34 T 7.75 3.88 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 35 V 7.39 3.47 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.57 0.00 0.00 36 M 7.89 4.27 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.73 0.00 37 R 8.41 4.79 0.00 1.98 1.97 0.00 3.14 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 38 S 7.90 4.35 0.00 4.09 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 39 L 7.19 4.51 0.00 1.55 1.64 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.30 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 41 Q 7.38 4.55 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 42 N 8.42 5.00 0.00 2.65 2.67 0.00 0.00 7.12 7.69 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 43 P 0.00 4.51 0.00 2.25 2.06 0.00 3.84 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 2.02 1.99 0.00 44 T 8.93 4.26 4.25 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 1.34 0.00 0.00 45 E 8.74 3.89 0.00 2.12 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 2.39 2.47 0.00 46 A 7.95 4.04 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 47 E 8.15 3.94 0.00 2.21 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 2.41 2.41 0.00 48 L 7.90 3.98 0.00 1.74 1.75 0.96 0.89 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 49 Q 8.12 4.01 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 50 D 8.32 4.36 0.00 2.64 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 51 M 8.07 4.18 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 52 I 7.84 3.79 2.07 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 1.84 0.96 0.93 0.00 0.00 53 N 7.87 4.22 0.00 2.85 2.89 0.00 0.00 6.68 7.56 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 54 E 7.33 4.01 0.00 2.00 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 0.00 2.28 2.39 0.00 55 V 7.22 4.40 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 0.68 0.00 0.00 0.89 0.00 0.00 56 D 7.49 4.63 0.00 2.79 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 57 A 8.28 4.05 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 58 D 7.94 4.62 0.00 2.78 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 59 G 8.53 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 0.00 0.00 0.00 60 N 8.09 4.80 0.00 2.78 2.90 0.00 0.00 6.54 7.00 0.00 0.00 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 G 8.58 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.76 4.84 4.27 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 1.31 0.00 0.00 63 I 8.34 4.94 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 1.07 0.00 0.00 64 D 8.78 5.38 0.00 2.76 2.85 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 65 F 8.65 3.27 0.00 2.31 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 66 P 0.00 3.74 0.00 2.06 1.90 0.00 4.00 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 2.06 2.09 0.00 67 E 8.10 3.97 0.00 2.11 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 2.28 2.32 0.00 68 F 7.67 4.09 0.00 2.93 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 69 L 7.41 3.66 0.00 1.55 1.35 0.16 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.33 3.87 4.13 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 1.13 0.00 0.00 71 M 7.73 4.03 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 72 M 7.05 3.90 0.00 1.65 1.61 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 73 A 6.87 4.11 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 74 R 8.59 4.33 0.00 1.78 1.51 0.00 3.30 0.00 0.00 3.26 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *78 D 9.10 4.76 0.00 2.72 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 79 T 7.60 4.36 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 1.22 0.00 0.00 80 D 7.99 4.31 0.00 2.70 2.73 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 81 S 8.12 4.29 0.00 4.09 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 0.00 82 E 8.15 4.05 0.00 2.15 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 2.39 2.47 0.00 83 E 7.89 3.99 0.00 2.15 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 2.33 2.36 0.00 84 E 8.05 4.15 0.00 2.29 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 0.00 2.39 2.52 0.00 85 I 7.83 4.06 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.37 1.16 0.00 0.00 86 R 8.36 3.95 0.00 1.91 1.93 0.00 2.82 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 87 E 8.18 4.07 0.00 2.23 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 2.36 2.36 0.00 88 A 8.29 4.21 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 0.00 0.00 0.00 0.00 0.00 89 F 8.28 3.01 0.00 2.84 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.79 3.90 0.00 1.97 1.99 0.00 3.25 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 91 V 7.29 3.71 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 0.66 0.00 0.00 1.05 0.00 0.00 92 F 7.61 4.27 0.00 2.82 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 93 D 7.64 4.68 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 0.00 0.00 0.00 94 K 8.22 3.94 0.00 1.74 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.40 1.38 7.81 95 D 8.27 4.59 0.00 2.84 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 96 G 7.75 4.15 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 0.00 0.00 0.00 97 N 8.05 4.59 0.00 3.06 3.00 0.00 0.00 7.00 6.88 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 98 G 9.62 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 99 F 7.84 5.37 0.00 2.94 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 0.00 100 I 9.42 4.51 1.97 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.75 1.02 0.00 0.00 101 S 9.06 4.87 0.00 3.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.88 3.99 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 0.00 103 A 7.99 3.99 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 0.00 104 E 8.21 3.94 0.00 2.27 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 0.00 2.31 2.31 0.00 105 L 8.29 4.12 0.00 1.87 1.90 1.20 1.22 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 0.00 106 R 8.19 3.92 0.00 1.95 2.11 0.00 3.34 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 107 H 8.07 4.06 0.00 3.33 3.43 0.00 5.64 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 0.00 108 V 7.53 3.29 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 0.27 0.00 0.00 0.56 0.00 0.00 109 M 8.31 3.88 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 110 T 8.25 4.12 4.21 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 1.24 0.00 0.00 111 N 7.85 4.28 0.00 2.86 2.93 0.00 0.00 7.02 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.46 4.37 0.00 1.71 1.59 0.84 0.64 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 0.00 113 G 7.63 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 0.00 114 E 7.82 4.19 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 115 K 8.22 4.59 0.00 1.82 1.77 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.37 7.81 116 L 7.89 4.51 0.00 1.87 1.69 0.92 0.70 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 0.00 117 T 8.54 4.27 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 0.00 118 D 8.57 4.41 0.00 2.71 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 0.00 119 E 8.16 3.97 0.00 2.01 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 2.40 2.40 0.00 120 E 7.98 4.08 0.00 2.28 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 2.33 2.32 0.00 121 V 7.90 3.59 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 122 D 8.10 4.38 0.00 2.97 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 0.00 123 E 8.69 3.92 0.00 2.07 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 2.31 2.36 0.00 124 M 7.90 4.10 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 125 I 7.77 3.87 2.05 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 1.68 1.25 0.98 0.00 0.00 126 R 8.22 3.91 0.00 1.97 2.10 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 127 E 8.12 4.02 0.00 2.00 1.99 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 2.53 2.46 0.00 128 A 7.61 4.51 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 0.00 129 D 7.42 4.74 0.00 2.95 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 0.00 130 I 8.04 3.74 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 1.47 0.66 0.92 0.00 0.00 131 D 8.16 4.39 0.00 2.83 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 0.00 132 G 7.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.44 4.54 0.00 2.73 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 0.00 134 G 9.06 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 0.00 135 Q 8.41 4.70 0.00 2.06 2.10 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 2.29 2.18 0.00 136 V 8.55 4.52 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 1.22 0.00 0.00 1.02 0.00 0.00 137 N 9.55 5.17 0.00 2.89 3.20 0.00 0.00 6.46 7.53 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 0.00 138 Y 7.99 3.27 0.00 1.97 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 0.00 139 E 8.12 3.81 0.00 2.20 2.19 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 2.36 2.37 0.00 140 E 8.60 4.00 0.00 2.27 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 0.00 2.36 2.42 0.00 141 F 8.05 4.01 0.00 3.37 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 0.00 142 V 7.57 3.35 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 0.85 0.00 0.00 0.38 0.00 0.00 143 T 7.51 3.79 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 1.17 0.00 0.00 144 M 7.83 4.05 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 145 M 7.47 3.80 0.00 1.93 1.72 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 2.38 2.43 0.00 146 T 7.28 4.31 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 1.17 0.00 0.00 147 S 7.64 4.26 0.00 3.96 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.