NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2379 8.1727 121.7857 55.9896 33.6046 176.0035 3 V 3.3693 8.4632 126.1765 65.7456 31.4921 176.4297 4 A 4.1565 8.0768 120.2665 54.7614 18.5765 178.7625 5 E 3.8354 7.9944 117.5598 59.5895 29.9482 178.8994 6 L 3.9381 7.8479 118.6447 57.5511 41.6122 179.4016 7 A 3.9353 8.4997 121.3184 55.0460 18.2647 179.2001 8 N 4.1986 8.2407 115.3648 56.7081 39.1728 176.8659 9 A 3.9396 8.1993 122.4433 55.1838 18.2354 179.8077 10 V 3.4492 7.4955 115.4741 66.2211 31.7206 178.2068 11 V 3.9389 7.5387 117.9600 65.5335 31.3797 177.8836 12 S 4.4797 8.1235 114.3981 59.8643 63.3301 174.3014 13 N 4.5792 7.7926 120.0148 51.9698 38.3388 174.9186 14 A 3.9891 8.2991 130.2085 55.1752 18.7524 178.7048 15 D 4.2978 7.9717 116.8403 57.6046 41.0003 178.8759 16 Q 3.9822 8.1607 118.2614 58.6003 28.5881 178.7946 17 K 3.8523 8.0447 119.7107 59.4658 31.9947 178.9053 18 D 4.3550 8.0193 119.0708 57.5959 40.8039 179.0718 19 L 4.0064 7.7605 118.7696 57.6087 41.4589 179.6355 20 L 3.7560 7.9256 119.1654 57.6883 41.5003 179.6954 21 R 4.1184 8.2126 118.2282 59.3137 29.7532 178.7684 22 M 4.1159 8.4615 118.7244 58.6180 32.2093 178.4167 23 S 4.4473 8.4357 114.4527 60.9344 63.3661 176.2189 24 W 4.5588 9.0865 132.7749 60.2925 30.1843 177.9506 25 G 3.6497 8.0508 105.1970 47.7446 0.0000 175.5379 26 V 3.6916 7.2893 120.3257 65.7758 31.4908 178.2209 27 L 3.8558 7.7750 117.6356 57.1682 41.4798 178.7457 28 S 3.8240 7.2026 111.8073 58.2473 63.3237 175.7240 29 V 3.7961 7.0332 122.5836 64.8242 32.3047 175.1695 30 D 4.6917 7.4508 119.5517 51.5669 41.6207 175.4766 31 M 3.8533 8.3757 124.5730 57.9664 32.1237 177.6082 32 E 4.0134 8.1417 118.7137 59.2368 29.9726 178.8167 33 G 3.8986 8.0623 106.4898 47.7880 0.0000 175.6581 34 T 3.9881 8.2185 119.0232 65.8242 68.3838 177.2195 35 G 3.5544 8.0952 107.7796 47.8891 0.0000 175.7516 36 L 4.0165 8.1004 122.1922 57.5950 41.5324 179.4101 37 M 3.9887 8.1196 118.2094 58.3773 32.1849 178.0587 38 L 3.8164 8.1877 121.0170 58.2685 42.1812 178.9646 39 M 3.6045 8.0074 118.4746 58.0301 32.0056 178.5076 40 A 4.0821 8.0148 120.9552 55.4226 18.6888 179.5105 41 N 4.2760 8.2747 115.0495 56.1278 38.5410 177.4559 42 L 3.7899 7.5805 121.8795 58.1589 41.9062 179.1459 43 F 4.7022 7.4431 116.5988 60.3500 38.8325 177.5779 44 K 4.1920 7.8126 117.3420 59.5252 31.8911 179.2358 45 T 4.3595 7.6921 114.9267 64.9481 69.3542 175.0671 46 S 4.6508 8.3956 120.2130 55.3474 63.6135 172.7691 47 P 4.4392 0.0000 0.0000 65.4272 30.9683 178.4956 48 S 4.2075 8.1446 113.9573 61.4407 63.0355 175.9275 49 A 4.2022 8.0347 124.1157 55.0294 17.7555 179.4355 50 K 3.9236 8.1381 116.0995 59.9772 32.1771 179.6115 51 G 3.6511 8.2355 105.4927 47.6338 0.0000 176.0337 52 K 4.0664 8.1908 119.8866 58.2977 32.1874 178.2145 53 F 4.8551 7.8619 116.8606 57.1607 40.0679 177.5539 54 A 3.9988 7.7749 123.8474 55.4892 17.8217 180.2015 55 R 3.8656 8.0257 115.8481 59.6182 30.1593 177.5819 56 L 4.1899 7.8483 115.7187 55.7215 42.6574 178.8249 57 G 3.9039 7.5768 106.0890 46.1013 0.0000 176.5934 58 D 4.5208 8.3457 121.0096 52.5466 39.9901 176.8727 59 V 3.6183 7.7442 125.2234 63.2036 31.7419 178.2580 60 S 4.4029 7.4701 112.5621 58.7376 63.1020 174.6136 61 A 4.1924 8.1664 124.5082 52.1893 19.8221 178.7487 62 G 3.9618 7.5560 104.1086 45.7195 0.0000 176.8101 63 K 4.1016 8.8699 122.5406 59.3885 32.1296 177.5598 64 D 4.3893 7.6273 115.7837 55.6196 41.1587 176.0580 65 N 4.7198 8.4337 119.5225 52.1737 39.7972 175.3428 66 S 4.2841 8.5575 124.2872 60.8868 63.3462 176.4419 67 K 3.9890 8.1339 122.2049 59.4244 31.8507 178.7939 68 L 4.0114 8.0099 120.3930 57.9444 42.0850 179.0280 69 R 3.9839 8.0776 118.9707 59.2782 30.1383 178.5536 70 G 3.7235 8.4973 106.0084 48.1600 0.0000 174.9532 71 H 4.1645 8.5337 121.2186 59.1436 29.7192 177.4378 72 S 4.0836 8.2449 115.8366 61.7191 63.0574 176.5961 73 I 3.9740 7.7834 122.1675 64.6989 36.9435 178.6298 74 T 4.0888 7.9862 116.6026 66.4501 68.3331 176.1996 75 L 3.8503 8.1687 122.6349 58.7679 42.0150 179.1498 76 M 4.2459 7.9383 117.7587 58.3296 31.8909 178.1356 77 Y 4.0756 8.0925 116.3728 60.2405 38.0519 177.7517 78 A 3.8305 7.7658 121.7707 54.7108 18.3509 179.4507 79 L 3.8906 7.5967 117.2691 57.5501 41.6500 179.1428 80 Q 3.4157 7.7070 119.6110 59.0853 28.7266 178.0312 81 N 4.2606 7.7433 116.5189 56.7956 39.2817 176.4959 82 F 4.7192 7.6687 118.9873 60.7171 38.9219 177.7912 83 V 3.4919 7.8643 118.0573 66.0899 31.0861 177.4868 84 D 4.5595 8.4771 116.5115 55.8248 41.0406 177.2451 85 A 4.5817 7.7904 120.9042 51.9877 18.9135 178.3230 86 L 4.1207 7.7940 118.8063 56.6465 41.4153 177.8606 87 D 4.7557 7.8270 116.8280 54.0028 41.5803 176.2170 88 D 4.5636 8.0074 118.9170 51.4083 43.4648 175.3748 89 V 3.5648 8.4258 127.2336 66.4478 31.5082 177.5653 90 E 3.9527 8.2045 117.4747 59.2115 29.3956 179.1866 91 R 3.8827 8.0245 118.9203 59.3147 30.2251 178.2876 92 L 4.0244 8.2098 120.4748 57.9621 41.9868 178.8377 93 K 3.9330 8.3141 120.0017 59.7370 32.3437 178.5546 94 C 4.4269 8.0982 115.5429 60.2825 29.7000 175.9661 95 V 3.6954 7.8911 115.1982 63.6568 31.2474 178.4594 96 V 3.8880 8.0846 118.2753 66.2105 30.8945 177.6577 97 E 3.9281 8.3480 118.3351 59.3883 29.0938 179.2939 98 K 3.7830 7.8009 118.9892 59.7666 31.7639 178.8649 99 F 4.9259 8.2503 118.9154 59.9334 38.7404 177.5660 100 A 3.9943 8.7153 121.0320 55.2249 18.1970 179.7401 101 V 3.5786 7.7487 116.4360 66.3438 31.3947 177.9566 102 N 4.3904 8.0939 115.9493 56.3531 38.3420 176.7076 103 H 4.4310 7.9236 116.4409 57.9576 29.2278 177.6453 104 I 3.7455 8.1701 122.2087 64.5243 36.7463 178.0889 105 N 4.4806 8.1594 115.7171 55.1278 38.3540 176.5670 106 R 4.4058 7.6086 117.7125 54.7021 31.2817 175.7837 107 Q 3.5330 7.9552 116.3373 56.9708 26.4858 174.1318 108 I 4.4074 7.6250 117.8040 60.2198 38.6924 177.4484 109 S 4.5267 8.9776 121.0891 57.4747 65.4677 175.1071 110 A 4.0746 8.4152 122.7736 55.2702 17.7745 179.5527 111 D 4.3725 7.9973 116.4157 57.5982 41.2819 178.3372 112 E 4.3231 8.4109 119.1264 59.2788 29.5005 179.2183 113 F 4.1548 8.6101 121.1339 61.0957 39.4910 177.3495 114 G 3.8376 8.4868 104.9931 47.2177 0.0000 175.0096 115 E 4.1464 7.6611 119.5820 58.4772 29.7351 178.4364 116 I 3.6757 7.5195 118.7977 63.2043 37.8771 177.8575 117 V 3.6881 7.6220 119.3942 65.9047 31.3094 178.0210 118 G 3.5587 8.0254 104.8587 47.4663 0.0000 173.3742 119 P 4.1354 0.0000 0.0000 65.2770 31.2810 178.3337 120 L 3.7943 7.9489 118.7411 57.8825 41.8898 178.9850 121 R 3.9623 8.1513 118.8284 59.4769 30.1431 178.2150 122 Q 3.8160 8.1360 119.4080 59.5726 29.0321 178.5119 123 T 3.8359 8.0389 116.8020 66.5683 68.4531 176.7914 124 L 4.0998 8.1469 121.0800 57.5417 41.5719 179.7587 125 K 3.7463 8.1571 118.5065 59.3212 31.7288 179.2383 126 A 3.9384 7.6177 119.6669 54.9922 18.3210 179.3091 127 R 4.1596 7.8876 115.2463 58.7708 30.8431 178.4126 128 M 4.3645 8.8815 118.1653 54.2128 32.6827 178.2520 129 G 3.8713 8.8607 107.6554 46.8187 0.0000 175.2963 130 N 4.5982 9.1779 121.1752 54.3693 38.1641 174.5070 131 Y 4.4570 8.1193 115.3043 57.2025 38.7855 175.7882 132 F 4.3393 8.0621 123.0338 58.5832 40.1106 174.0038 133 D 4.3110 7.3808 124.2335 50.2578 42.5185 176.0122 134 E 3.8061 8.2355 120.5309 59.1467 29.5865 178.7938 135 D 4.3600 7.9116 118.7681 57.5926 40.7834 178.6055 136 T 3.9174 7.7854 116.0755 66.5784 68.3483 176.9071 137 V 3.8478 7.7274 119.5660 65.8738 31.6530 177.7859 138 A 3.9899 8.1794 120.4175 55.1269 17.7212 179.3863 139 A 3.8616 8.1494 119.3128 55.2199 18.4363 179.9641 140 W 3.9433 8.7200 117.6094 59.7116 28.9978 178.6694 141 A 4.1441 8.5464 121.1633 55.2353 17.5617 179.8757 142 S 4.0426 7.9008 113.1009 61.3665 63.1101 176.4075 143 L 3.9672 7.5541 122.2506 58.0433 41.9076 178.9770 144 V 3.7383 7.9772 117.9881 66.1199 31.5044 177.8381 145 A 4.4470 8.3132 121.8704 54.4091 17.8977 179.7909 146 V 3.5073 7.3956 116.5182 66.0041 31.8560 178.1593 147 V 3.5961 7.5573 117.6440 65.9792 31.6101 177.8859 148 Q 3.9257 8.1136 117.5242 58.7676 28.2704 178.6166 149 A 4.1686 7.7244 120.8547 54.0416 18.4860 178.7004 150 S 4.4635 7.6782 110.8342 58.7732 63.8354 174.3073 151 L 4.1422 7.2889 126.2883 55.0859 41.4631 176.4109 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 2 K 8.17 4.24 0.00 1.84 1.75 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.63 7.81 3 V 8.46 3.37 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 0.85 0.00 0.00 0.90 0.00 0.00 4 A 8.08 4.16 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 5 E 7.99 3.84 0.00 2.03 1.93 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 2.36 2.38 0.00 6 L 7.85 3.94 0.00 1.86 1.66 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.50 3.94 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 8 N 8.24 4.20 0.00 2.96 2.99 0.00 0.00 7.12 7.23 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 9 A 8.20 3.94 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 10 V 7.50 3.45 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 0.71 0.00 0.00 0.84 0.00 0.00 11 V 7.54 3.94 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 1.06 0.00 0.00 1.01 0.00 0.00 12 S 8.12 4.48 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.79 4.58 0.00 2.91 2.67 0.00 0.00 6.95 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 14 A 8.30 3.99 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 15 D 7.97 4.30 0.00 2.67 2.70 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 16 Q 8.16 3.98 0.00 2.00 2.03 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 2.31 2.34 0.00 17 K 8.04 3.85 0.00 1.94 1.81 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.55 7.81 18 D 8.02 4.35 0.00 2.91 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 19 L 7.76 4.01 0.00 1.78 1.70 0.93 0.53 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 20 L 7.93 3.76 0.00 1.58 1.21 0.52 -0.85 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 21 R 8.21 4.12 0.00 1.88 2.05 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 22 M 8.46 4.12 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 23 S 8.44 4.45 0.00 4.39 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 0.00 24 W 9.09 4.56 0.00 3.79 3.40 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 25 G 8.05 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 26 V 7.29 3.69 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 1.02 0.00 0.00 0.91 0.00 0.00 27 L 7.77 3.86 0.00 1.42 1.41 0.90 0.88 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 28 S 7.20 3.82 0.00 3.39 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 29 V 7.03 3.80 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 0.74 0.00 0.00 0.91 0.00 0.00 30 D 7.45 4.69 0.00 2.67 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 31 M 8.38 3.85 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 32 E 8.14 4.01 0.00 2.05 1.93 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 2.38 2.39 0.00 33 G 8.06 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 0.00 0.00 0.00 34 T 8.22 3.99 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 1.09 0.00 0.00 35 G 8.10 3.55 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 0.00 36 L 8.10 4.02 0.00 2.02 1.71 0.93 1.14 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 37 M 8.12 3.99 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 38 L 8.19 3.82 0.00 1.79 1.72 0.76 0.74 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 39 M 8.01 3.60 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 40 A 8.01 4.08 1.38 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 0.00 0.00 0.00 41 N 8.27 4.28 0.00 2.63 2.79 0.00 0.00 6.69 6.54 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 42 L 7.58 3.79 0.00 1.46 1.23 0.81 0.41 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 43 F 7.44 4.70 0.00 3.06 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 44 K 7.81 4.19 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.60 7.81 45 T 7.69 4.36 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 46 S 8.40 4.65 0.00 3.86 3.83 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 47 P 0.00 4.44 0.00 2.29 2.36 0.00 3.73 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 2.11 2.06 0.00 48 S 8.14 4.21 0.00 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 0.00 49 A 8.03 4.20 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 0.00 0.00 0.00 0.00 0.00 50 K 8.14 3.92 0.00 2.13 1.81 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 1.65 7.81 51 G 8.24 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 52 K 8.19 4.07 0.00 1.83 1.57 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.63 7.81 53 F 7.86 4.86 0.00 3.08 3.03 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 54 A 7.77 4.00 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 55 R 8.03 3.87 0.00 1.80 2.02 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 56 L 7.85 4.19 0.00 1.89 1.74 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.58 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 0.00 0.00 0.00 58 D 8.35 4.52 0.00 2.65 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 59 V 7.74 3.62 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 -0.44 0.00 0.00 0.59 0.00 0.00 60 S 7.47 4.40 0.00 4.03 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 61 A 8.17 4.19 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 62 G 7.56 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 63 K 8.87 4.10 0.00 1.73 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 64 D 7.63 4.39 0.00 2.91 2.70 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 65 N 8.43 4.72 0.00 2.68 2.88 0.00 0.00 6.80 7.72 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 66 S 8.56 4.28 0.00 4.10 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 67 K 8.13 3.99 0.00 2.04 1.94 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.52 7.81 68 L 8.01 4.01 0.00 1.74 1.86 1.03 1.41 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 69 R 8.08 3.98 0.00 2.12 2.08 0.00 3.35 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 70 G 8.50 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.53 4.16 0.00 3.37 3.61 0.00 5.79 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 72 S 8.24 4.08 0.00 4.03 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 73 I 7.78 3.97 1.96 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 1.58 1.18 1.15 0.00 0.00 74 T 7.99 4.09 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 75 L 8.17 3.85 0.00 1.68 1.82 0.86 1.22 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 76 M 7.94 4.25 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.85 0.00 77 Y 8.09 4.08 0.00 3.22 3.09 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 78 A 7.77 3.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.89 0.00 1.43 1.27 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.71 3.42 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 81 N 7.74 4.26 0.00 2.94 2.79 0.00 0.00 7.32 6.70 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 82 F 7.67 4.72 0.00 3.22 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.86 3.49 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 0.94 0.00 0.00 0.58 0.00 0.00 84 D 8.48 4.56 0.00 2.78 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 85 A 7.79 4.58 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 0.00 0.00 0.00 86 L 7.79 4.12 0.00 1.63 1.68 0.80 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.83 4.76 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 88 D 8.01 4.56 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 3.56 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 1.10 0.00 0.00 0.92 0.00 0.00 90 E 8.20 3.95 0.00 2.17 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 2.30 0.00 91 R 8.02 3.88 0.00 1.83 2.12 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 92 L 8.21 4.02 0.00 1.92 1.76 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.31 3.93 0.00 1.98 1.79 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 94 C 8.10 4.43 0.00 3.20 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 95 V 7.89 3.70 2.21 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 0.89 0.00 0.00 1.37 0.00 0.00 96 V 8.08 3.89 2.33 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 0.94 0.00 0.00 0.84 0.00 0.00 97 E 8.35 3.93 0.00 2.25 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 2.33 2.41 0.00 98 K 7.80 3.78 0.00 1.71 1.77 0.00 1.33 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.77 0.68 7.81 99 F 8.25 4.93 0.00 3.57 3.33 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 0.00 100 A 8.72 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.75 3.58 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 1.02 0.00 0.00 0.94 0.00 0.00 102 N 8.09 4.39 0.00 3.14 2.88 0.00 0.00 6.97 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 0.00 103 H 7.92 4.43 0.00 3.42 3.44 0.00 5.82 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 0.00 104 I 8.17 3.75 1.88 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 1.52 0.67 0.91 0.00 0.00 105 N 8.16 4.48 0.00 2.90 2.88 0.00 0.00 6.96 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 0.00 106 R 7.61 4.41 0.00 1.73 1.85 0.00 3.43 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 107 Q 7.96 3.53 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 108 I 7.62 4.41 2.10 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 1.14 0.00 0.00 109 S 8.98 4.53 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 0.00 110 A 8.42 4.07 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 0.00 0.00 111 D 8.00 4.37 0.00 2.70 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 0.00 112 E 8.41 4.32 0.00 2.11 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 0.00 2.38 2.36 0.00 113 F 8.61 4.15 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.49 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 0.00 115 E 7.66 4.15 0.00 2.19 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 2.35 2.33 0.00 116 I 7.52 3.68 1.54 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.06 0.73 0.00 0.00 117 V 7.62 3.69 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 1.00 0.00 0.00 1.01 0.00 0.00 118 G 8.03 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 0.00 119 P 0.00 4.14 0.00 2.16 2.21 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 120 L 7.95 3.79 0.00 1.90 1.76 0.44 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.15 3.96 0.00 2.00 2.08 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 122 Q 8.14 3.82 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 123 T 8.04 3.84 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 1.11 0.00 0.00 124 L 8.15 4.10 0.00 2.08 2.03 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.16 3.75 0.00 1.70 1.55 0.00 1.29 0.00 0.00 1.27 0.00 0.00 2.46 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.30 0.65 7.81 126 A 7.62 3.94 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 0.00 127 R 7.89 4.16 0.00 1.80 1.96 0.00 3.23 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 128 M 8.88 4.36 0.00 2.23 2.46 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.90 0.00 129 G 8.86 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 0.00 130 N 9.18 4.60 0.00 2.70 2.71 0.00 0.00 6.62 7.46 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 0.00 131 Y 8.12 4.46 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.34 0.00 3.04 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 0.00 133 D 7.38 4.31 0.00 2.66 2.52 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 0.00 0.00 0.00 0.00 134 E 8.24 3.81 0.00 2.10 1.93 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 2.42 2.47 0.00 135 D 7.91 4.36 0.00 2.72 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 0.00 136 T 7.79 3.92 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 1.46 0.00 0.00 137 V 7.73 3.85 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 1.25 0.00 0.00 1.21 0.00 0.00 138 A 8.18 3.99 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 0.00 139 A 8.15 3.86 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 0.00 140 W 8.72 3.94 0.00 3.56 3.32 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 0.00 141 A 8.55 4.14 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 0.00 142 S 7.90 4.04 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.55 3.97 0.00 1.55 1.70 0.71 0.46 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 0.00 144 V 7.98 3.74 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 1.10 0.00 0.00 1.11 0.00 0.00 145 A 8.31 4.45 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 0.00 146 V 7.40 3.51 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 0.79 0.00 0.00 0.95 0.00 0.00 147 V 7.56 3.60 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 0.37 0.00 0.00 0.83 0.00 0.00 148 Q 8.11 3.93 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 149 A 7.72 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.68 4.46 0.00 4.00 3.94 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 0.00 151 L 7.29 4.14 0.00 1.65 1.57 0.55 0.69 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