NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1268 8.1633 120.7393 55.2996 33.8733 173.9459 2 R 5.3001 9.5011 120.0860 51.4932 34.9436 169.4649 3 V 5.0126 7.8836 119.0356 60.9278 35.2939 172.4654 4 V 5.4754 8.9827 124.8431 60.5867 34.1373 174.2865 5 I 5.2276 8.3185 126.7097 59.6767 41.1015 174.2297 6 Q 5.7503 8.9362 124.4831 53.0150 32.7054 174.5278 7 R 4.5865 8.5439 124.3058 56.2249 31.6332 175.3364 8 V 4.9988 8.4841 118.4155 59.5279 35.3703 176.3808 9 K 5.1070 8.8803 124.1203 56.3759 32.3354 177.1390 10 G 4.4106 7.2992 110.6271 44.7976 0.0000 170.8374 11 A 5.0214 8.1628 119.7592 50.8247 23.0853 175.5015 12 I 4.6039 8.8924 122.4603 59.3302 40.6457 174.5314 13 L 5.1116 8.5707 126.8378 53.4683 44.5776 175.2966 14 S 5.7262 9.5564 122.2173 55.9171 67.0639 173.5645 15 V 4.6961 8.0815 114.7266 58.4329 35.8040 174.5973 16 R 4.3666 8.4847 120.7292 56.0078 30.1882 176.6806 *27 L 4.5619 8.4125 123.6634 54.9620 43.4577 175.9089 28 E 4.8063 8.4602 116.2350 54.9784 33.1382 174.7416 29 I 4.3117 8.6933 122.9956 61.6348 37.4381 174.9191 30 I 4.4613 9.3592 118.7651 62.4976 39.6766 175.8338 31 S 4.8063 7.8079 118.4654 56.7823 65.7017 172.9677 32 E 5.2312 8.5451 119.9592 56.5747 31.9349 174.3724 33 I 5.3352 8.2695 120.2003 58.1665 41.1281 175.1853 34 K 4.6394 8.6895 124.1913 55.5948 31.7205 176.8039 35 N 4.4284 8.5010 122.0884 54.1390 39.9118 173.9515 36 G 4.5746 7.4481 112.2772 46.2416 0.0000 172.9017 37 L 5.2536 8.6773 124.4288 52.8810 46.1926 174.3266 38 I 4.6780 8.5308 123.7766 59.4121 40.4566 173.8862 39 C 5.1804 8.8092 126.9568 58.0614 31.3888 172.9627 40 F 4.9831 9.4387 124.3978 56.1752 40.3171 174.9322 41 L 5.0048 9.1291 127.1679 53.0890 43.9986 175.1735 42 G 4.1180 8.9488 115.2174 46.0375 0.0000 170.9665 43 I 4.8689 8.7153 126.3236 59.8184 39.2863 175.1626 44 H 3.8086 9.5392 130.2651 55.5315 30.5917 177.0461 45 K 4.1845 8.0573 125.5399 57.6595 31.6007 178.9293 46 N 4.8568 7.6109 113.9927 53.0842 38.5603 174.8787 47 D 5.4287 7.8337 117.8619 54.1678 41.3619 176.2953 48 T 4.9723 8.3588 113.4167 60.2038 71.3081 174.5339 49 W 4.9584 8.9519 130.0299 60.0399 30.9360 177.9536 50 E 4.0977 9.3652 119.4456 58.6134 28.9227 178.0765 51 D 4.4744 8.1136 117.8997 57.9703 41.2375 178.9976 52 A 3.7919 7.5392 119.5445 55.3959 18.0833 179.6550 53 L 3.6688 7.8750 117.1840 57.5271 41.8478 178.6846 54 Y 4.2016 7.9022 119.0198 61.6851 38.6418 177.2881 55 I 3.6470 8.2735 120.9798 62.6499 37.0922 178.2130 56 I 2.9784 8.1674 121.0818 65.1510 37.1443 177.9051 57 R 3.8783 8.4359 118.3662 59.1409 30.1068 178.8463 58 K 3.9585 8.3612 118.6570 59.5310 32.2058 178.1910 59 C 4.3840 8.4106 118.3201 60.6094 27.8076 174.8832 60 L 3.9098 6.6771 125.9085 57.7016 42.3137 179.0127 61 N 4.8519 7.9920 113.7045 53.2969 40.5326 175.1302 62 L 4.0238 7.4795 120.8147 55.5173 41.6527 179.2340 63 R 4.4996 8.5750 123.3885 55.9703 27.1771 172.6339 64 L 5.1477 8.3110 120.7295 54.1209 43.5053 176.1322 65 W 4.6063 8.9461 120.0402 55.1970 32.0577 175.4231 66 N 4.6410 8.5507 120.6816 51.5667 37.7648 171.7641 67 N 4.4547 8.8887 120.3129 54.8940 40.3114 172.8570 68 D 4.0307 7.8907 124.4649 53.0451 42.9959 173.5111 69 N 4.4382 9.0734 131.8239 53.2087 37.5472 174.6880 70 K 4.3813 5.9916 117.3476 53.1761 33.6484 179.4927 71 T 4.2221 8.5105 113.2931 60.7688 69.8779 176.1543 72 W 4.1801 5.8925 116.6763 57.8848 25.0550 172.9513 73 D 4.8901 9.1494 122.4156 55.3503 43.0103 176.4018 74 K 4.8167 8.0703 117.3914 54.9647 35.0991 175.2633 75 N 5.3735 8.3272 120.2678 51.7121 40.0571 174.8524 76 V 3.5090 8.0572 115.6373 66.2871 31.5602 178.7403 77 K 3.2818 7.3854 117.6015 59.2959 31.7484 178.6592 78 D 4.4957 7.3681 114.8484 55.6086 40.7929 177.5564 79 L 4.1250 6.8938 115.2895 54.1693 45.0558 175.2123 80 N 4.7764 8.0271 114.8397 53.5997 36.3582 172.7318 81 Y 5.0735 8.1127 115.5016 57.2217 40.9340 175.9130 82 E 5.0596 8.4159 117.8596 55.1617 33.2328 175.9994 83 L 4.8572 8.6853 120.2432 53.3967 45.7199 175.3203 84 L 4.7553 8.7934 127.4975 53.9249 44.0003 175.2372 85 I 4.7985 8.2383 126.3977 59.4165 40.1643 174.6111 86 V 4.7615 8.8116 127.1228 60.9644 34.5171 174.4451 87 S 4.9500 8.7719 122.3566 57.8519 63.3682 174.6779 88 Q 4.6146 8.4783 124.3984 54.1549 30.4267 175.3564 89 F 4.6234 8.5086 115.9569 60.0164 38.3893 178.5739 90 T 3.5241 6.7518 110.6137 63.7461 68.5916 176.1485 91 L 3.8164 8.1314 122.4224 57.4304 42.0183 177.6141 92 F 4.4549 8.5957 117.0175 57.1633 38.7732 175.5243 93 G 3.8742 8.1548 111.4385 45.1415 0.0000 173.5666 94 N 4.5200 8.8971 126.4505 53.1674 38.7346 175.3893 95 T 4.5857 8.3608 115.3981 61.7246 69.7708 176.4138 96 K 4.2409 8.1361 127.9400 58.3545 31.8287 183.2553 97 K 4.3424 7.9965 119.1134 56.5400 33.0070 180.6623 98 G 4.2102 6.2055 108.8811 47.0327 0.0000 174.6848 99 N 4.7481 8.9703 120.5500 52.2838 40.3780 173.9224 100 K 4.2533 7.8450 120.1273 53.8394 32.2148 174.2370 101 P 4.3308 0.0000 0.0000 62.7889 31.8381 175.2636 102 D 4.5985 7.8481 119.5280 51.5711 41.9650 176.2405 103 F 5.5446 7.8203 118.1690 56.6313 40.0528 176.9297 104 H 4.5358 9.1542 119.4740 58.2743 28.7707 176.8793 105 L 4.4074 8.0131 117.5673 54.7356 42.0533 176.0446 106 A 4.4725 7.6550 121.1392 51.0288 19.6701 176.9792 107 K 4.2652 8.5987 120.9618 55.6630 33.4663 176.3403 108 E 3.9103 8.9954 127.0427 56.5644 29.7794 175.7339 109 P 4.3907 0.0000 0.0000 65.7990 31.6448 177.6749 110 N 4.4889 8.7671 114.6648 55.6892 37.7498 177.2201 111 E 4.1389 8.6463 118.7347 58.1386 29.4484 179.1255 112 A 4.3747 7.9764 121.7103 54.8005 18.7887 178.9442 113 L 3.2590 7.3567 118.9147 58.5881 41.9280 179.4834 114 I 3.8520 7.6648 118.8220 64.1034 37.1624 177.3867 115 F 4.5049 7.7430 119.1500 61.9702 39.0746 176.2844 116 Y 4.2178 8.9996 118.8782 61.1887 38.5438 178.2506 117 N 4.4863 8.4415 116.9566 56.6521 38.7541 177.6292 118 K 4.2537 9.0746 120.2914 59.2742 32.1000 179.6209 119 I 4.2415 8.5488 121.0594 64.3945 37.0384 178.4450 120 I 3.7824 8.2788 121.2099 64.3622 36.9369 177.9027 121 D 4.4661 8.3644 119.9907 57.7458 40.6877 178.8388 122 E 4.1204 8.6233 119.4297 59.3656 29.8367 178.6377 123 F 3.9897 8.5663 117.8960 60.4609 38.9067 177.8968 124 K 5.0013 8.3409 121.9245 59.6354 31.8205 180.2797 125 K 4.1514 8.0675 122.5499 59.3538 31.6886 180.2285 126 Q 4.5817 8.2414 115.7132 57.5314 29.2513 175.5774 127 Y 5.0126 7.5384 117.3394 57.7529 43.8688 174.1066 128 N 4.4362 7.4466 116.9714 53.2546 42.5583 174.6624 129 D 4.3727 7.9613 122.4679 56.1440 40.0921 177.7610 130 D 4.6132 9.3956 118.0995 55.2028 40.9400 176.4694 131 K 4.4399 7.7914 117.9295 56.0823 35.1911 175.6438 132 I 4.8085 7.7434 120.5573 59.6937 36.9654 175.1777 133 K 4.4236 8.3114 127.2506 55.8047 33.4715 175.9475 134 I 4.7598 8.2764 116.5813 59.1343 40.0296 175.4512 135 G 3.9439 8.7444 113.4286 46.3939 0.0000 174.3974 136 K 4.5252 8.3465 122.1931 52.4495 31.8534 177.7499 137 F 3.7222 8.8627 127.3772 60.5198 39.5596 176.6388 138 G 4.0098 8.5419 108.5588 47.8305 0.0000 173.0037 139 N 4.9943 7.1505 115.7968 50.1819 39.6414 173.5072 140 Y 3.9134 8.1750 119.8053 57.5236 39.1392 175.0204 141 M 4.8473 7.8933 126.3249 53.5716 34.8520 174.7864 142 N 4.8051 10.3566 120.1051 51.8643 41.8356 173.1199 143 I 4.8095 8.2824 126.5975 59.5335 40.0775 174.9162 144 D 4.6020 8.8101 128.6796 53.7601 41.8929 175.8870 145 V 4.4601 8.3747 123.8904 61.5460 33.8046 175.7709 146 T 4.3830 8.7951 126.8625 61.9903 67.8772 172.4941 147 N 4.7390 8.4672 121.8679 53.4447 39.6774 173.5491 148 D 4.2592 9.5011 125.8083 56.1633 42.1650 175.4885 149 G 4.2057 9.2696 119.7284 45.0691 0.0000 173.8089 150 P 5.1307 0.0000 0.0000 60.4066 34.1973 175.0727 151 V 4.4259 7.9947 117.0443 62.2911 34.6983 174.1466 152 T 5.1547 8.6085 124.1302 62.0018 71.4340 173.1927 153 I 4.4558 8.9080 128.2392 59.5643 39.7486 174.1216 154 Y 5.2189 8.5423 127.1901 55.8436 41.2607 174.6578 155 I 4.1910 7.3896 125.7472 59.3083 41.7257 173.9773 156 D 4.7460 8.1439 125.4150 52.2024 42.6240 175.6518 157 T 4.1152 8.7700 118.1695 64.3323 69.7646 174.1908 158 H 4.6113 8.1378 119.2278 56.4848 28.8377 175.0137 159 D 4.6067 8.0599 124.3720 54.5730 41.1831 176.4340 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 5.13 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.50 5.30 0.00 1.25 1.63 0.00 2.21 0.00 0.00 3.13 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 3 V 7.88 5.01 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 0.48 0.00 0.00 1.01 0.00 0.00 4 V 8.98 5.48 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 0.97 0.00 0.00 1.02 0.00 0.00 5 I 8.32 5.23 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.91 0.00 0.00 6 Q 8.94 5.75 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 7 R 8.54 4.59 0.00 1.72 1.91 0.00 2.21 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.90 0.00 8 V 8.48 5.00 2.36 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 0.71 0.00 0.00 1.00 0.00 0.00 9 K 8.88 5.11 0.00 1.62 1.85 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 10 G 7.30 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 0.00 0.00 0.00 0.00 11 A 8.16 5.02 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 12 I 8.89 4.60 1.87 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 1.34 0.68 0.91 0.00 0.00 13 L 8.57 5.11 0.00 1.69 1.46 0.89 0.66 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 14 S 9.56 5.73 0.00 3.84 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 15 V 8.08 4.70 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 1.14 0.00 0.00 0.96 0.00 0.00 16 R 8.48 4.37 0.00 1.76 1.90 0.00 3.15 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 *27 L 8.41 4.56 0.00 1.59 1.77 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.46 4.81 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 2.22 2.31 0.00 29 I 8.69 4.31 1.88 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 1.04 1.19 0.92 0.00 0.00 30 I 9.36 4.46 1.89 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 1.24 0.77 0.93 0.00 0.00 31 S 7.81 4.81 0.00 3.79 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 32 E 8.55 5.23 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 33 I 8.27 5.34 1.87 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 1.33 0.36 0.94 0.00 0.00 34 K 8.69 4.64 0.00 1.85 1.55 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.59 7.81 35 N 8.50 4.43 0.00 2.17 1.42 0.00 0.00 6.63 8.14 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 36 G 7.45 4.57 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 37 L 8.68 5.25 0.00 1.71 1.58 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.53 4.68 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 1.27 0.92 0.00 0.00 39 C 8.81 5.18 0.00 2.67 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 40 F 9.44 4.98 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.13 5.00 0.00 1.74 1.68 1.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.72 4.87 1.96 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.71 0.00 0.00 44 H 9.54 3.81 0.00 2.52 3.26 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.06 4.18 0.00 1.79 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.28 7.81 46 N 7.61 4.86 0.00 2.57 2.84 0.00 0.00 6.93 8.06 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 47 D 7.83 5.43 0.00 2.89 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 48 T 8.36 4.97 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 1.29 0.00 0.00 49 W 8.95 4.96 0.00 3.44 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.37 4.10 0.00 2.04 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 0.00 2.39 2.53 0.00 51 D 8.11 4.47 0.00 2.73 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 52 A 7.54 3.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 3.67 0.00 1.44 1.54 0.49 0.25 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 54 Y 7.90 4.20 0.00 2.89 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 55 I 8.27 3.65 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.82 0.95 0.00 0.00 56 I 8.17 2.98 1.47 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.78 0.11 0.00 0.00 57 R 8.44 3.88 0.00 1.90 1.94 0.00 3.17 0.00 0.00 3.20 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 58 K 8.36 3.96 0.00 1.66 1.69 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.46 1.02 7.81 59 C 8.41 4.38 0.00 3.35 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 60 L 6.68 3.91 0.00 1.73 1.65 0.73 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.99 4.85 0.00 2.76 2.84 0.00 0.00 7.01 7.64 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 62 L 7.48 4.02 0.00 1.91 1.64 0.88 0.80 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 63 R 8.57 4.50 0.00 1.74 1.84 0.00 3.21 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 64 L 8.31 5.15 0.00 1.19 1.47 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.95 4.61 0.00 3.49 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.55 4.64 0.00 2.55 2.65 0.00 0.00 6.57 6.92 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 67 N 8.89 4.45 0.00 2.83 2.92 0.00 0.00 6.74 8.49 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 68 D 7.89 4.03 0.00 2.68 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 69 N 9.07 4.44 0.00 2.83 2.91 0.00 0.00 6.97 6.68 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 70 K 5.99 4.38 0.00 1.76 1.57 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.24 7.81 71 T 8.51 4.22 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 1.10 0.00 0.00 72 W 5.89 4.18 0.00 3.43 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 73 D 9.15 4.89 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 74 K 8.07 4.82 0.00 1.84 1.72 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.30 7.81 75 N 8.33 5.37 0.00 2.94 3.15 0.00 0.00 6.04 7.68 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 76 V 8.06 3.51 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.19 0.00 0.00 77 K 7.39 3.28 0.00 1.61 1.61 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 1.26 7.81 78 D 7.37 4.50 0.00 2.63 2.64 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 79 L 6.89 4.12 0.00 0.39 0.39 0.33 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.03 4.78 0.00 2.67 2.86 0.00 0.00 6.92 7.32 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 81 Y 8.11 5.07 0.00 2.71 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 82 E 8.42 5.06 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 83 L 8.69 4.86 0.00 1.61 1.52 1.20 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.79 4.76 0.00 1.72 1.46 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.24 4.80 1.53 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.37 0.56 0.00 0.00 86 V 8.81 4.76 1.82 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 1.04 0.00 0.00 0.71 0.00 0.00 87 S 8.77 4.95 0.00 4.08 3.49 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 0.00 88 Q 8.48 4.61 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.85 0.00 89 F 8.51 4.62 0.00 3.31 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 90 T 6.75 3.52 3.99 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 0.14 0.00 0.00 91 L 8.13 3.82 0.00 1.72 1.48 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.60 4.45 0.00 3.42 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 93 G 8.15 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 94 N 8.90 4.52 0.00 2.83 2.94 0.00 0.00 6.39 7.06 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 95 T 8.36 4.59 4.18 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 1.14 0.00 0.00 96 K 8.14 4.24 0.00 1.79 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 K 8.00 4.34 0.00 1.77 1.75 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.00 7.81 98 G 6.21 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 0.00 0.00 0.00 99 N 8.97 4.75 0.00 2.65 2.79 0.00 0.00 6.65 7.61 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 0.00 100 K 7.84 4.25 0.00 1.69 1.69 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 101 P 0.00 4.33 0.00 1.58 1.90 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 102 D 7.85 4.60 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 5.54 0.00 3.29 3.35 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 0.00 104 H 9.15 4.54 0.00 3.34 3.39 0.00 5.66 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 0.00 105 L 8.01 4.41 0.00 1.87 1.72 1.00 1.00 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 0.00 106 A 7.65 4.47 1.64 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 0.00 107 K 8.60 4.27 0.00 2.01 1.82 0.00 2.19 0.00 0.00 2.06 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.49 7.81 108 E 9.00 3.91 0.00 2.09 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 2.40 2.41 0.00 109 P 0.00 4.39 0.00 2.08 2.26 0.00 3.72 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 2.00 2.10 0.00 110 N 8.77 4.49 0.00 2.82 2.79 0.00 0.00 6.95 7.49 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 0.00 111 E 8.65 4.14 0.00 2.07 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 2.32 2.43 0.00 112 A 7.98 4.37 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 0.00 113 L 7.36 3.26 0.00 1.32 1.67 0.65 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.66 3.85 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.90 0.00 0.00 115 F 7.74 4.50 0.00 3.41 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 0.00 116 Y 9.00 4.22 0.00 3.18 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 0.00 117 N 8.44 4.49 0.00 2.98 2.95 0.00 0.00 7.12 8.09 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 0.00 118 K 9.07 4.25 0.00 2.04 1.70 0.00 1.43 0.00 0.00 1.32 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 119 I 8.55 4.24 2.12 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 1.65 1.60 1.11 0.00 0.00 120 I 8.28 3.78 2.06 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.92 0.00 0.00 121 D 8.36 4.47 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.62 4.12 0.00 2.72 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 2.54 2.47 0.00 123 F 8.57 3.99 0.00 3.33 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 0.00 124 K 8.34 5.00 0.00 2.06 1.89 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.64 7.81 125 K 8.07 4.15 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 126 Q 8.24 4.58 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 127 Y 7.54 5.01 0.00 3.02 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 0.00 128 N 7.45 4.44 0.00 2.03 2.17 0.00 0.00 7.03 9.20 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 0.00 129 D 7.96 4.37 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 9.40 4.61 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.79 4.44 0.00 1.43 1.85 0.00 1.93 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.98 0.71 7.81 132 I 7.74 4.81 1.90 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 0.81 0.00 0.00 133 K 8.31 4.42 0.00 1.79 1.71 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.57 7.81 134 I 8.28 4.76 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.96 0.00 0.00 135 G 8.74 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 0.00 0.00 0.00 136 K 8.35 4.53 0.00 1.68 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 0.97 7.81 137 F 8.86 3.72 0.00 2.69 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 0.00 138 G 8.54 4.01 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 0.00 0.00 0.00 139 N 7.15 4.99 0.00 2.73 2.83 0.00 0.00 6.97 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 0.00 140 Y 8.17 3.91 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 7.89 4.85 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 142 N 10.36 4.81 0.00 2.99 2.70 0.00 0.00 7.08 7.70 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 0.00 143 I 8.28 4.81 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.94 0.00 0.00 144 D 8.81 4.60 0.00 2.63 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 0.00 145 V 8.37 4.46 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 146 T 8.80 4.38 4.32 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 1.22 0.00 0.00 147 N 8.47 4.74 0.00 2.62 2.79 0.00 0.00 7.03 8.06 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 0.00 148 D 9.50 4.26 0.00 2.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 9.27 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 0.00 0.00 0.00 150 P 0.00 5.13 0.00 2.17 2.27 0.00 3.10 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 151 V 7.99 4.43 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 0.96 0.00 0.00 1.01 0.00 0.00 152 T 8.61 5.15 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 1.21 0.00 0.00 153 I 8.91 4.46 1.81 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 1.03 1.18 0.80 0.00 0.00 154 Y 8.54 5.22 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.39 4.19 1.51 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.86 0.53 0.00 0.00 156 D 8.14 4.75 0.00 2.75 2.56 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 0.00 157 T 8.77 4.12 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 1.35 0.00 0.00 158 H 8.14 4.61 0.00 3.36 3.45 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.06 4.61 0.00 2.71 2.57 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 * Residues marked with a * may have inaccurate shift predictions.