NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4329 8.3049 120.3519 55.2302 34.2673 176.0521 2 I 3.6463 7.7636 118.7736 60.8664 37.6109 174.0797 3 K 4.4051 9.3627 125.5849 56.0948 33.7187 177.7492 4 R 4.2323 9.0657 123.0589 55.2424 31.9964 176.0010 5 P 4.5266 0.0000 0.0000 66.2908 30.9776 178.8289 6 I 3.6674 7.7521 116.5199 64.0702 37.9443 177.6376 7 E 3.8847 8.0793 119.0660 59.3141 29.4130 178.9233 8 L 3.9967 8.2599 120.7697 57.8239 41.9160 179.0657 9 S 4.2574 8.2929 114.6850 61.7455 62.8005 176.4053 10 H 4.0787 7.9668 119.2222 58.6883 28.4892 177.3777 11 D 4.4953 8.2256 120.6901 57.4804 40.4402 178.7522 12 F 4.2792 8.5757 120.3014 61.4146 39.7997 176.8753 13 L 4.0925 8.0299 118.4285 57.6830 41.0608 179.2680 14 S 4.1357 8.7580 113.5744 61.4712 62.0965 176.1999 15 Q 4.1066 8.1151 119.7649 57.8647 28.4826 177.3680 16 V 4.2669 7.3575 110.2136 60.7451 33.2745 175.8388 17 L 4.3435 7.3458 119.9067 54.2134 42.4167 175.4718 18 D 4.6336 8.4431 120.2642 52.3185 42.4507 176.0550 19 K 4.3228 8.6864 117.0338 57.8563 31.2557 178.1680 20 N 4.9947 8.4181 117.3521 52.7965 39.7047 178.6090 21 S 4.6391 8.4101 114.8046 58.6989 64.9378 173.2237 22 I 5.0034 8.3146 123.4848 60.0284 39.1703 174.5453 23 A 5.3483 9.0478 127.6526 50.1881 22.7356 174.7431 24 I 5.1094 8.7210 120.3127 59.6268 40.7627 174.4655 25 D 5.1351 9.2336 126.9759 52.6166 41.7007 176.2753 26 A 4.2275 8.7965 128.7229 53.2788 18.8542 177.6553 27 T 4.4339 7.4543 104.2458 59.3222 68.5418 172.9927 28 M 4.0160 9.0898 129.1276 58.9528 34.2069 179.1167 29 G 3.8643 7.9009 108.0733 46.9661 0.0000 175.8691 30 N 4.3235 8.9981 120.8720 53.4263 37.6194 176.2358 31 G 4.1100 8.1874 104.6362 45.4335 0.0000 175.0159 32 N 4.3505 8.2195 117.7032 56.6095 38.5076 176.8011 33 D 4.5564 8.1063 119.6755 57.3643 40.9122 178.7786 34 T 3.8620 7.9107 115.9987 66.5704 68.0268 176.4857 35 V 3.5502 7.9202 120.0445 66.0730 31.3665 177.5470 36 F 4.2236 8.0233 118.8568 61.6555 39.4498 176.8113 37 L 3.7951 8.2982 118.6585 57.3160 41.2372 179.4615 38 S 4.1633 8.2094 116.3312 62.2227 62.9141 176.5595 *39 H 4.3328 7.6382 119.9715 58.1539 27.8574 179.1269 40 L 4.5900 7.5279 116.5625 54.9039 43.3399 176.2050 41 A 4.9466 7.3948 119.8191 49.6355 21.7597 176.0946 42 K 4.1498 8.6481 124.0643 59.7480 32.3692 177.8655 43 K 4.8696 7.8198 121.4681 53.5019 36.6409 176.4816 44 V 4.7947 8.2262 121.0212 61.4801 34.7313 173.7286 45 Y 4.9382 8.9455 125.2196 56.2647 40.1697 174.5145 46 A 5.2658 8.5820 125.5695 50.0569 22.5396 174.7470 47 F 5.6189 9.0905 121.8805 55.6585 42.8387 174.7718 48 D 4.9997 8.4723 123.5180 53.6794 43.5717 175.9531 49 V 3.7951 8.6582 120.0064 62.9776 32.3052 177.5032 50 Q 4.4223 7.9107 119.0371 54.7127 28.9484 181.2070 51 E 4.0475 8.6450 121.9691 55.8454 30.6282 174.5040 *63 Q 4.4606 8.6364 121.5746 54.3186 30.1869 174.7195 64 L 4.4600 7.8910 114.6789 53.2741 42.3035 175.9325 65 N 4.0883 8.0770 115.7292 54.8260 36.4515 174.6756 66 I 3.7066 7.1725 122.8329 62.4808 38.1471 179.5507 67 K 4.1182 7.9816 121.6844 54.7282 30.3107 178.1380 68 N 5.0704 7.5296 114.8032 53.4751 38.1931 174.6337 69 V 4.7120 7.7969 120.3891 62.8674 35.0089 174.6552 70 Q 4.5643 8.7083 128.1295 53.7911 30.7795 171.9358 71 L 4.6988 8.5390 127.2985 53.2122 43.2848 176.7699 72 I 4.1874 8.6448 126.3989 59.2259 38.7811 172.2328 73 L 5.4006 8.6858 129.8787 51.0706 40.8051 170.9090 74 D 5.0821 9.2686 132.2031 54.5738 44.1689 177.2720 75 G 3.5182 7.8934 110.8853 46.0806 0.0000 173.6379 76 H 3.2632 8.3782 127.9266 58.6326 28.4655 177.8475 77 Q 4.2152 8.0728 117.4046 56.9973 28.1832 181.2401 78 T 4.6384 8.4920 109.9169 63.0844 69.7793 178.1052 79 I 3.6826 7.5556 121.9957 64.2261 35.4314 180.6896 80 N 4.5254 8.3498 118.6608 55.4260 38.3631 176.2866 81 K 4.3613 7.7491 118.2430 54.6277 32.9684 181.9260 82 Y 4.5838 8.6876 113.6711 59.6534 39.8840 176.4721 83 V 4.0761 7.7137 111.3723 59.5989 33.6153 175.4225 84 T 4.3256 8.3619 115.5822 63.3349 70.5563 175.4493 85 E 4.2959 7.8673 116.2200 54.2701 30.5635 177.0847 86 P 4.6422 0.0000 0.0000 63.8601 32.1382 175.9880 87 I 4.5812 8.1198 121.7456 59.9873 39.2263 176.6361 88 R 4.1188 9.1663 127.5976 58.7161 31.3448 175.9987 89 A 5.4135 7.8114 118.4247 50.4851 23.0260 174.8926 90 A 5.2502 9.3216 121.8866 50.3061 23.3271 174.8760 91 I 5.1148 8.8957 121.0159 59.2100 41.2798 174.1276 92 F 5.0238 9.5322 130.4709 56.5188 42.8503 172.8411 93 N 5.6988 8.5860 122.4287 51.6007 40.8226 174.0069 94 L 4.8634 9.5114 124.5311 54.4585 45.9226 176.2546 95 G 4.7536 9.4015 113.7157 47.8513 0.0000 173.0244 *96 Y 4.7209 7.9547 120.3374 54.3291 40.0882 174.0242 97 L 4.3301 8.2012 122.3181 53.3070 42.5619 175.4826 98 P 4.4838 0.0000 0.0000 63.0922 33.0744 174.8740 99 S 4.4153 8.7224 112.2675 59.3316 63.4982 175.1190 *111 T 4.5688 9.0064 108.5035 61.1765 71.4576 176.8004 112 L 3.7259 7.7638 123.7848 57.6970 41.9968 178.8671 113 T 3.7525 7.7345 109.0830 64.3440 68.7816 176.2489 114 A 3.9592 7.9365 123.1353 55.1331 18.4075 179.3760 115 I 3.5934 8.1481 120.7887 65.1163 37.2136 179.2806 116 K 3.9981 7.8791 124.3674 60.0661 31.5445 181.0155 117 K 4.2594 8.4602 120.1229 59.1276 31.8697 179.6769 118 I 3.7714 8.0508 120.3792 64.4060 36.8431 178.3261 119 L 4.1364 8.0889 118.9269 58.0921 41.5195 179.2237 120 E 4.2309 8.0943 117.4135 59.2869 29.8453 179.0454 121 R 4.2326 7.9566 116.9049 56.8072 30.5318 176.5663 122 L 4.6519 7.6393 119.3286 55.0897 42.3908 177.3108 123 E 4.3982 9.0367 121.3758 55.3306 31.7615 175.8799 124 I 3.8062 8.1621 121.0774 63.1120 37.2085 177.0703 125 G 3.8830 9.4452 115.8248 45.1148 0.0000 173.8251 126 G 3.9423 8.1980 107.7624 46.1810 0.0000 173.1521 127 R 5.4079 8.8271 119.0456 54.0414 34.4881 174.1479 128 L 5.3115 9.3809 124.7487 53.2737 45.2413 174.6156 129 A 5.1437 9.4245 128.5201 50.3985 21.4902 175.2533 130 I 4.9496 8.7802 124.4048 59.9517 39.7024 174.7468 131 M 4.5263 9.1176 128.5075 54.2055 33.7826 175.6295 132 V 4.4939 8.1546 124.5139 61.5581 33.3563 175.1884 133 Y 4.3051 9.3557 125.5520 58.5344 38.7269 177.5111 *145 A 4.2749 7.9470 122.4769 51.9866 20.9586 179.0889 146 V 3.6134 7.9189 115.0868 66.2221 31.5481 177.6839 147 L 3.9953 8.0292 118.0627 58.2605 41.2956 179.0324 148 N 4.3181 8.2526 114.0827 56.4053 38.7038 176.8696 149 F 4.4058 8.2083 121.7370 61.5764 39.7494 177.8256 150 V 3.1555 7.9979 112.2255 64.0892 31.0264 178.7082 151 K 3.9459 7.8540 117.5468 59.1982 31.9416 177.9187 152 E 4.1634 7.6629 116.6607 57.2035 29.9127 177.1573 153 L 3.8324 6.9323 119.1774 54.3135 42.3003 176.4985 154 D 4.4709 8.6938 122.5485 54.1746 41.5079 177.0722 155 Q 4.5610 8.6492 124.2289 57.9862 28.9039 176.9319 156 Q 4.1144 8.1282 118.6711 57.9113 29.4182 175.5376 157 H 4.7567 8.4413 113.0863 55.7507 31.7001 173.7962 158 F 5.2416 8.0227 116.1238 56.1539 43.7557 173.2940 159 T 4.7511 9.0598 119.6457 61.8798 70.6682 173.5393 160 V 4.8078 8.5154 126.2289 61.4033 33.7662 174.3466 161 M 4.8377 9.1302 127.7583 53.4028 35.3828 174.3810 162 L 5.0082 8.4643 124.1399 53.8022 44.2217 175.0435 163 Y 4.7224 9.2546 126.9590 55.9532 41.4639 173.6278 164 Q 4.6780 8.0937 127.1807 53.4990 32.1511 172.8694 165 P 4.2640 0.0000 0.0000 62.6966 32.0176 176.0702 166 L 4.4891 8.3732 121.1998 54.9220 43.3012 177.0016 167 N 4.9592 7.9341 114.1615 52.3535 37.6251 174.0581 168 Q 4.2723 7.9297 117.4724 55.9647 29.7617 176.0724 169 I 3.8513 8.3892 122.7002 63.5064 38.4503 175.8111 170 N 4.6756 7.8639 117.1344 51.6706 39.4359 174.5342 171 T 3.8391 8.4981 113.4248 61.4560 68.4871 172.2437 172 P 4.6760 0.0000 0.0000 60.7465 32.9839 173.7898 173 P 4.5703 0.0000 0.0000 62.4236 32.0861 175.6766 174 F 5.0536 8.1947 116.3723 55.0602 42.1808 172.9581 175 L 5.1224 9.0522 120.7733 53.2275 44.9021 174.9306 176 V 4.8045 8.7741 126.2312 61.5508 33.8121 173.8961 177 M 4.5670 8.9841 128.4185 53.5673 34.1371 174.9844 178 I 5.0971 8.9540 124.7102 59.4371 40.6353 174.0350 179 E 5.1720 9.3126 128.1890 54.1576 32.4487 174.5345 180 K 4.2857 9.1903 129.4122 55.9256 33.5639 176.6228 181 L 4.2491 8.1108 126.9007 54.9552 41.2804 176.7422 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 8.30 4.43 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 I 7.76 3.65 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 1.01 0.00 0.00 3 K 9.36 4.41 0.00 1.79 1.79 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 R 9.07 4.23 0.00 1.87 1.87 0.00 3.16 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 5 P 0.00 4.53 0.00 2.15 2.23 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 6 I 7.75 3.67 1.88 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 1.66 1.12 0.88 0.00 0.00 7 E 8.08 3.88 0.00 2.23 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 2.34 0.00 8 L 8.26 4.00 0.00 1.54 1.63 0.81 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.29 4.26 0.00 4.17 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 0.00 10 H 7.97 4.08 0.00 3.24 3.12 0.00 5.82 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 11 D 8.23 4.50 0.00 2.89 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 12 F 8.58 4.28 0.00 3.00 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 13 L 8.03 4.09 0.00 1.92 1.80 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.76 4.14 0.00 4.10 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 0.00 15 Q 8.12 4.11 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 16 V 7.36 4.27 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 0.55 0.00 0.00 0.87 0.00 0.00 17 L 7.35 4.34 0.00 1.59 1.51 0.87 0.90 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 18 D 8.44 4.63 0.00 2.84 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 K 8.69 4.32 0.00 1.74 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.35 7.81 20 N 8.42 4.99 0.00 2.47 2.67 0.00 0.00 6.89 7.28 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 21 S 8.41 4.64 0.00 3.78 3.80 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 22 I 8.31 5.00 2.14 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 1.48 0.71 1.18 0.00 0.00 23 A 9.05 5.35 1.25 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 0.00 0.00 24 I 8.72 5.11 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 1.21 0.00 0.00 25 D 9.23 5.14 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.80 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.45 4.43 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 0.84 0.00 0.00 28 M 9.09 4.02 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 29 G 7.90 3.86 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 0.00 0.00 0.00 30 N 9.00 4.32 0.00 2.76 2.75 0.00 0.00 6.83 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.19 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 0.00 0.00 0.00 32 N 8.22 4.35 0.00 2.77 2.92 0.00 0.00 7.12 8.08 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 33 D 8.11 4.56 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.91 3.86 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 1.18 0.00 0.00 35 V 7.92 3.55 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 1.03 0.00 0.00 1.00 0.00 0.00 36 F 8.02 4.22 0.00 3.05 3.31 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 37 L 8.30 3.80 0.00 1.89 1.64 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.21 4.16 0.00 4.18 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 *39 H 7.64 4.33 0.00 3.07 3.02 0.00 7.16 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 40 L 7.53 4.59 0.00 1.36 1.55 0.26 0.52 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 41 A 7.39 4.95 1.25 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 0.00 0.00 42 K 8.65 4.15 0.00 2.11 2.04 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.45 1.28 7.81 43 K 7.82 4.87 0.00 1.42 1.57 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.00 7.81 44 V 8.23 4.79 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 1.00 0.00 0.00 0.89 0.00 0.00 45 Y 8.95 4.94 0.00 3.02 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 46 A 8.58 5.27 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 47 F 9.09 5.62 0.00 3.01 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 48 D 8.47 5.00 0.00 2.32 2.46 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 49 V 8.66 3.80 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 0.86 0.00 0.00 0.93 0.00 0.00 50 Q 7.91 4.42 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.91 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 51 E 8.64 4.05 0.00 1.98 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 0.00 2.23 1.87 0.00 *63 Q 8.64 4.46 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.06 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 64 L 7.89 4.46 0.00 1.61 1.70 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.08 4.09 0.00 2.77 2.80 0.00 0.00 7.14 7.94 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 66 I 7.17 3.71 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.91 0.00 0.00 67 K 7.98 4.12 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 0.98 7.81 68 N 7.53 5.07 0.00 2.85 2.97 0.00 0.00 6.23 7.34 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 69 V 7.80 4.71 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 0.68 0.00 0.00 0.85 0.00 0.00 70 Q 8.71 4.56 0.00 1.73 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 71 L 8.54 4.70 0.00 1.43 1.52 0.87 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 72 I 8.64 4.19 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 1.09 0.87 0.91 0.00 0.00 73 L 8.69 5.40 0.00 1.40 1.50 0.92 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 74 D 9.27 5.08 0.00 2.82 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 75 G 7.89 3.52 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 0.00 0.00 0.00 76 H 8.38 3.26 0.00 3.03 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.07 4.22 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.63 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 78 T 8.49 4.64 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 79 I 7.56 3.68 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 1.30 0.70 0.91 0.00 0.00 80 N 8.35 4.53 0.00 2.68 2.91 0.00 0.00 6.67 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 81 K 7.75 4.36 0.00 1.73 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.26 7.81 82 Y 8.69 4.58 0.00 3.09 3.04 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 0.00 0.00 0.00 83 V 7.71 4.08 1.61 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 0.42 0.00 0.00 0.89 0.00 0.00 84 T 8.36 4.33 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 1.19 0.00 0.00 85 E 7.87 4.30 0.00 2.01 1.79 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 2.23 1.90 0.00 86 P 0.00 4.64 0.00 2.14 2.03 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 87 I 8.12 4.58 1.94 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 1.19 0.89 1.06 0.00 0.00 88 R 9.17 4.12 0.00 1.94 2.02 0.00 3.21 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 89 A 7.81 5.41 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 9.32 5.25 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 91 I 8.90 5.11 2.01 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 1.22 1.78 1.06 0.00 0.00 92 F 9.53 5.02 0.00 3.11 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 93 N 8.59 5.70 0.00 2.65 2.80 0.00 0.00 6.70 8.77 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 94 L 9.51 4.86 0.00 1.69 1.55 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.40 4.75 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 0.00 0.00 0.00 *96 Y 7.95 4.72 0.00 2.31 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 0.00 0.00 0.00 97 L 8.20 4.33 0.00 1.61 1.62 0.88 1.02 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 98 P 0.00 4.48 0.00 2.04 2.01 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 99 S 8.72 4.42 0.00 3.91 3.63 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 *111 T 9.01 4.57 4.19 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 1.54 0.00 0.00 112 L 7.76 3.73 0.00 1.60 1.52 0.83 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.73 3.75 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 1.13 0.00 0.00 114 A 7.94 3.96 1.50 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 0.00 115 I 8.15 3.59 1.65 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 0.71 -0.07 0.94 0.00 0.00 116 K 7.88 4.00 0.00 1.77 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.37 7.81 117 K 8.46 4.26 0.00 1.95 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 118 I 8.05 3.77 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 1.02 0.00 0.00 119 L 8.09 4.14 0.00 1.79 1.73 0.72 0.90 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 0.00 120 E 8.09 4.23 0.00 2.17 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 2.44 0.00 121 R 7.96 4.23 0.00 1.91 2.00 0.00 3.33 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 122 L 7.64 4.65 0.00 1.80 1.70 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.04 4.40 0.00 2.05 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 0.00 2.43 2.29 0.00 124 I 8.16 3.81 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.87 0.00 0.00 125 G 9.45 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 0.00 126 G 8.20 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 0.00 127 R 8.83 5.41 0.00 1.50 1.53 0.00 2.43 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 128 L 9.38 5.31 0.00 1.84 1.61 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 129 A 9.42 5.14 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 0.00 130 I 8.78 4.95 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.88 0.00 0.00 131 M 9.12 4.53 0.00 1.68 2.32 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 132 V 8.15 4.49 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 0.00 0.00 0.76 0.00 0.00 0.57 0.00 0.00 133 Y 9.36 4.31 0.00 2.84 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 *145 A 7.95 4.27 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 0.00 146 V 7.92 3.61 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 1.11 0.00 0.00 0.85 0.00 0.00 147 L 8.03 4.00 0.00 1.82 1.75 1.07 0.79 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 0.00 148 N 8.25 4.32 0.00 2.94 2.94 0.00 0.00 6.84 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.21 4.41 0.00 3.05 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 0.00 150 V 8.00 3.16 1.94 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 0.89 0.00 0.00 0.99 0.00 0.00 151 K 7.85 3.95 0.00 1.86 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.70 7.81 152 E 7.66 4.16 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 2.57 2.41 0.00 153 L 6.93 3.83 0.00 1.55 1.43 0.27 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.69 4.47 0.00 2.82 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 0.00 155 Q 8.65 4.56 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 156 Q 8.13 4.11 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 157 H 8.44 4.76 0.00 3.17 2.91 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.02 5.24 0.00 2.88 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 0.00 159 T 9.06 4.75 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 1.26 0.00 0.00 160 V 8.52 4.81 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 0.79 0.00 0.00 0.94 0.00 0.00 161 M 9.13 4.84 0.00 1.90 1.83 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 2.49 2.59 0.00 162 L 8.46 5.01 0.00 1.60 1.52 0.76 0.66 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 0.00 163 Y 9.25 4.72 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.09 4.68 0.00 1.82 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.70 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 165 P 0.00 4.26 0.00 2.02 1.89 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 166 L 8.37 4.49 0.00 1.55 1.64 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 167 N 7.93 4.96 0.00 2.76 2.82 0.00 0.00 6.06 7.39 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 0.00 168 Q 7.93 4.27 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 169 I 8.39 3.85 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 1.41 1.01 0.91 0.00 0.00 170 N 7.86 4.68 0.00 2.76 2.74 0.00 0.00 6.91 7.54 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 0.00 171 T 8.50 3.84 4.28 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 1.23 0.00 0.00 172 P 0.00 4.68 0.00 2.19 2.10 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 173 P 0.00 4.57 0.00 1.57 0.86 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 174 F 8.19 5.05 0.00 3.19 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 0.00 175 L 9.05 5.12 0.00 1.81 1.81 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.77 4.80 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 1.02 0.00 0.00 1.10 0.00 0.00 177 M 8.98 4.57 0.00 0.54 1.54 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.68 0.00 178 I 8.95 5.10 2.00 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 1.12 0.90 1.05 0.00 0.00 179 E 9.31 5.17 0.00 2.26 1.90 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 2.22 2.23 0.00 180 K 9.19 4.29 0.00 1.93 1.77 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.76 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.19 0.73 7.81 181 L 8.11 4.25 0.00 1.42 1.47 0.94 1.09 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 * Residues marked with a * may have inaccurate shift predictions.