NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2622 8.4145 122.1414 54.6141 33.4441 177.6480 7 D 4.3455 8.1768 119.4401 54.8117 40.7050 177.8019 8 D 4.7879 7.6628 123.2285 51.4207 41.3502 178.1739 9 S 4.6957 8.3216 120.8149 56.1146 65.4644 172.7232 10 I 4.3858 8.1107 120.7766 59.9866 38.1061 175.3607 11 I 4.7056 8.2326 125.2649 59.4377 40.2642 175.0233 12 R 4.8194 8.1950 120.2168 54.7090 33.4625 174.8979 13 F 4.8833 8.1818 114.2169 56.2585 40.3263 173.5446 14 S 4.5278 8.4941 117.6353 57.1575 64.3329 174.0301 15 V 4.3333 7.8706 121.6903 61.1388 33.5620 175.0383 16 S 4.6272 8.6375 123.7253 57.3967 63.8782 173.3736 17 L 4.5216 8.0712 125.7893 53.7742 43.1200 176.2925 18 Q 4.1521 8.4385 121.3658 56.9697 29.9521 177.9591 19 Q 4.1530 8.7259 124.4593 59.2705 29.2330 178.9184 20 N 4.5249 8.1569 117.3235 55.9467 37.2123 176.6849 21 L 3.9314 7.8436 122.0853 57.7525 42.2250 178.4585 22 L 3.9025 7.9136 120.2988 58.2559 42.0442 178.4452 23 D 4.3725 8.4824 119.1987 57.7519 40.8284 178.9651 24 E 3.9925 8.0767 118.3472 59.0669 29.4090 178.9235 25 L 3.8940 7.8609 120.4869 58.5206 42.0611 178.9187 26 D 4.3857 8.2230 118.6841 57.2507 40.5945 178.5982 27 N 4.3171 8.1907 116.9806 56.5006 38.5765 177.3900 28 R 3.8914 7.8827 119.3146 59.5118 30.1167 179.0356 29 I 3.9451 7.7787 119.2096 64.6255 37.0705 178.5041 30 I 3.7196 7.9438 120.4742 64.3984 36.7605 178.5650 31 K 3.9498 8.6978 119.9610 58.9253 32.1886 177.7028 32 N 4.7790 8.8180 114.1933 52.1399 39.2929 174.9593 33 G 3.7521 7.6737 107.8790 46.7072 0.0000 173.7774 34 Y 4.3506 7.9983 116.8751 57.1493 38.6796 176.7570 35 S 4.3254 9.3190 118.7440 61.0010 63.5237 174.6869 36 S 4.6320 7.5786 112.8050 55.9244 66.4911 174.7646 37 R 3.8970 8.4462 124.1589 59.2924 29.8757 179.4710 38 S 4.0937 7.9637 114.6423 61.3685 62.8743 176.1277 39 E 3.9437 8.0851 121.5851 59.1740 29.5117 178.4678 40 L 3.3991 7.4137 120.0709 57.9894 42.0959 179.1195 41 V 3.5401 7.7125 118.1519 65.9864 31.3483 178.1997 42 R 3.9657 8.4536 118.2724 59.4257 30.0127 178.7708 43 D 4.3933 8.2208 118.6475 57.6121 40.6551 178.8218 44 M 4.0959 8.0183 119.2281 58.3964 31.9006 178.9312 45 I 3.7483 7.8586 120.0096 64.3736 37.3747 178.3922 46 R 3.9280 8.3202 119.8779 59.2790 29.5773 177.9875 47 E 3.9264 7.7872 118.1975 59.4682 29.8775 178.7742 48 K 4.1656 7.7836 118.3613 58.9898 32.2758 179.0861 49 L 3.9743 8.3586 121.3053 58.1770 41.7408 179.2419 50 V 3.6491 7.5857 117.2102 65.8003 31.2032 177.3751 51 E 4.2352 8.0076 117.4961 58.3819 29.3092 178.0390 52 D 4.6126 7.7777 119.7194 56.5673 40.8182 177.7961 53 N 4.4642 7.8362 118.8266 54.7374 37.8224 181.6402 *54 W 4.5165 7.6058 118.0314 54.6861 31.3666 172.5684 55 A 3.7423 8.5901 134.1779 50.4961 18.0839 175.8573 *59 P 4.3579 0.0000 0.0000 62.6418 33.0255 177.3088 60 N 4.8887 7.9291 113.3882 51.4207 39.6143 178.6949 61 D 4.4807 8.0045 117.0559 55.1292 38.4692 175.7699 62 E 4.7343 8.4754 122.7138 55.7249 29.6452 176.9389 63 S 4.5015 7.8508 111.8577 58.2862 62.9772 174.2594 64 K 4.3218 7.7165 119.1675 57.2363 33.2237 175.8431 65 I 5.2056 8.2343 122.5551 59.9003 41.1988 174.2191 66 A 4.9999 8.8159 125.2186 51.0074 23.5016 175.1126 67 V 4.8831 8.8060 119.0889 61.0065 34.7018 173.9753 68 L 5.0752 8.8852 130.1380 53.3951 44.3557 174.8072 69 V 4.8791 8.7908 127.0369 61.4350 33.5488 174.6250 70 V 5.2276 9.3085 127.3608 61.2371 35.3899 173.9676 71 I 5.2738 9.3139 127.7584 59.7611 40.0451 174.2001 72 Y 5.3432 8.3469 124.1988 55.1459 42.3525 174.0334 73 D 5.5823 9.3014 120.8653 53.7450 41.5945 176.4952 74 H 4.6600 8.7069 121.5721 57.2914 28.8181 175.5188 75 H 4.7499 7.8988 116.4896 55.6638 29.0847 175.3668 76 Q 4.1422 7.9680 122.0519 56.5388 29.0669 178.6647 77 R 4.1874 8.3051 120.3766 57.3571 26.6814 175.1295 78 E 3.7457 8.1364 126.9012 57.2256 26.6207 175.6918 79 L 4.3036 7.4951 121.6208 57.5393 42.8525 177.0212 80 N 4.1034 8.1103 116.2580 56.4709 38.4679 176.7560 81 Q 3.9292 7.9996 120.0401 59.3361 29.1955 178.3619 82 R 3.8850 7.4534 119.4441 59.4754 29.9684 179.0292 83 M 3.9948 8.1688 118.6251 58.3389 31.8507 178.8901 84 I 3.5743 7.6585 119.9517 64.3394 37.2611 178.0383 85 D 4.3696 8.1672 119.8255 57.5963 40.4604 179.1404 86 I 3.6792 7.5592 118.7362 64.2832 37.4042 177.8707 87 Q 4.0569 8.2717 120.6529 59.7356 29.0569 177.9335 88 H 4.1885 8.9484 117.6100 59.1630 28.6529 177.1605 89 A 4.3027 7.9241 120.0655 53.7428 18.4839 179.0792 90 S 4.2747 7.8899 112.4392 59.4173 63.4847 175.5038 91 G 4.0167 7.7769 109.5070 45.1407 0.0000 173.8161 92 T 4.3603 7.2898 108.8725 61.6933 69.8398 173.3602 93 H 5.0341 9.0376 119.7827 54.0653 31.7243 173.4911 94 V 4.3158 8.3816 122.7319 62.5312 31.8767 175.3661 95 L 4.5185 9.2609 128.8999 56.8325 42.5073 177.0284 96 S 4.7995 7.5293 110.2918 57.8426 65.7403 174.2934 97 T 5.2475 8.4962 110.2134 60.4522 72.1297 173.0588 98 T 4.7341 8.6478 119.1661 62.1959 72.3783 172.4236 99 H 5.3060 9.0788 122.9245 54.1428 31.1606 173.5552 100 I 4.3832 8.9335 124.8440 59.8643 39.6348 175.1825 101 H 4.8864 8.8766 124.9950 54.7938 27.5137 174.8563 102 M 4.1443 8.4778 125.2896 57.9547 32.0498 175.9497 103 D 4.6024 7.6108 117.4709 53.5231 44.4038 174.7241 104 E 4.2078 8.9090 115.7722 58.9602 29.7618 173.9112 105 H 5.0594 9.4770 114.0808 55.1311 31.4392 172.8897 106 N 5.2367 8.0626 116.1181 51.5831 42.2739 172.6748 107 C 4.9614 8.6903 124.4239 57.2587 34.5966 172.1291 108 L 4.9655 9.0168 128.8596 53.8420 43.6942 174.6833 109 E 5.7818 9.7741 126.8804 53.4627 33.4220 173.9495 110 T 5.1008 8.5484 116.2112 59.9834 71.6395 172.6565 111 I 4.8696 8.8672 127.1934 59.4631 40.2077 174.4408 112 I 4.8596 8.7617 128.6960 59.7904 38.8995 174.9227 113 L 5.3901 8.8367 126.6637 54.6208 44.7518 174.9321 114 Q 5.3935 8.2047 116.2057 55.2172 32.1742 175.0437 115 G 3.6548 7.8880 107.0290 45.0137 0.0000 172.2397 116 N 4.9588 7.9849 119.0836 51.5091 39.8271 176.0758 117 S 4.1345 8.5789 117.5430 61.8595 62.6676 176.8407 118 F 4.1127 8.8311 123.3731 61.3644 38.9596 176.7279 119 E 3.9417 8.5072 116.3115 59.7755 29.5843 179.1560 120 I 3.8537 7.6162 119.3271 64.2010 36.9800 178.2498 121 Q 4.0968 7.8256 116.8065 58.3975 28.4132 178.0574 122 R 3.9130 7.3430 119.0772 58.4805 30.1110 178.4421 123 L 3.9001 7.4757 120.2841 57.9545 42.0340 178.5173 124 Q 3.8751 7.9741 119.1140 59.2477 28.9784 178.1300 125 L 3.9198 7.7137 120.6873 57.8515 42.0106 178.3842 126 E 3.8949 7.5337 116.9691 59.6863 29.5137 179.1427 127 I 4.0373 7.7574 119.4450 63.7881 37.0302 178.6261 128 G 3.6791 8.1147 106.3920 47.4387 0.0000 175.2146 129 G 3.8256 7.7535 105.0194 44.4653 0.0000 174.1037 130 L 4.1359 6.9961 121.7152 54.2463 42.3256 176.3185 131 R 4.1133 8.2857 122.2641 57.4472 30.4309 175.9009 132 G 4.0114 8.9325 113.8191 45.6332 0.0000 172.9596 133 V 4.5744 7.4204 120.4950 61.8577 31.5960 175.3544 134 K 4.5889 8.8466 126.8254 57.2289 34.1197 176.3715 135 F 4.8847 7.9960 122.7644 57.0888 42.9897 172.6260 136 A 4.9774 7.4389 126.8922 50.4083 22.0516 175.2192 137 K 4.3429 8.9276 123.5831 54.6999 35.9989 174.4992 138 L 5.1538 8.4329 129.3473 53.6530 44.3216 175.3941 139 T 4.6820 8.9968 121.9649 61.7103 71.6411 172.9688 140 K 4.7037 8.7510 125.2914 54.8590 33.7650 176.3823 141 A 4.4040 8.6513 126.3005 51.9717 18.7886 176.3197 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 6 K 8.41 4.26 0.00 1.79 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 7 D 8.18 4.35 0.00 2.77 2.55 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 8 D 7.66 4.79 0.00 2.68 2.51 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 0.00 0.00 0.00 0.00 9 S 8.32 4.70 0.00 3.97 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 10 I 8.11 4.39 1.89 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 1.43 0.91 0.93 0.00 0.00 11 I 8.23 4.71 1.95 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 1.45 0.89 0.95 0.00 0.00 12 R 8.20 4.82 0.00 1.78 1.81 0.00 3.40 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 13 F 8.18 4.88 0.00 3.12 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 14 S 8.49 4.53 0.00 3.90 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 7.87 4.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.68 0.00 0.00 16 S 8.64 4.63 0.00 3.90 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 0.00 17 L 8.07 4.52 0.00 1.67 1.58 0.90 0.50 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 Q 8.44 4.15 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 19 Q 8.73 4.15 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 20 N 8.16 4.52 0.00 3.03 3.07 0.00 0.00 5.82 6.67 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 21 L 7.84 3.93 0.00 1.77 1.88 0.92 0.54 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 22 L 7.91 3.90 0.00 1.79 1.84 0.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.48 4.37 0.00 2.89 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 24 E 8.08 3.99 0.00 2.04 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 2.38 2.41 0.00 25 L 7.86 3.89 0.00 1.74 1.89 0.82 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.22 4.39 0.00 2.95 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 27 N 8.19 4.32 0.00 2.90 2.87 0.00 0.00 6.97 6.95 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 28 R 7.88 3.89 0.00 2.09 2.02 0.00 3.35 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 29 I 7.78 3.95 2.10 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 1.02 0.00 0.00 30 I 7.94 3.72 2.01 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 1.43 1.05 0.92 0.00 0.00 31 K 8.70 3.95 0.00 1.96 1.85 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.49 7.81 32 N 8.82 4.78 0.00 3.10 2.83 0.00 0.00 7.10 8.32 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 33 G 7.67 3.75 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 34 Y 8.00 4.35 0.00 2.99 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 35 S 9.32 4.33 0.00 3.98 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 36 S 7.58 4.63 0.00 3.88 3.71 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 37 R 8.45 3.90 0.00 1.84 1.89 0.00 3.14 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 38 S 7.96 4.09 0.00 3.85 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 39 E 8.09 3.94 0.00 2.09 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 2.50 2.45 0.00 40 L 7.41 3.40 0.00 1.08 1.52 0.48 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.71 3.54 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 0.97 0.00 0.00 0.88 0.00 0.00 42 R 8.45 3.97 0.00 2.10 1.99 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 43 D 8.22 4.39 0.00 2.97 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 44 M 8.02 4.10 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 45 I 7.86 3.75 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.94 0.00 0.00 46 R 8.32 3.93 0.00 1.94 2.11 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 47 E 7.79 3.93 0.00 2.23 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 2.34 2.38 0.00 48 K 7.78 4.17 0.00 1.91 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.59 7.81 49 L 8.36 3.97 0.00 1.81 1.85 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.59 3.65 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 0.90 0.00 0.00 1.01 0.00 0.00 51 E 8.01 4.24 0.00 2.13 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 2.51 2.49 0.00 52 D 7.78 4.61 0.00 2.90 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 53 N 7.84 4.46 0.00 2.77 2.74 0.00 0.00 6.62 7.84 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 *54 W 7.61 4.52 0.00 2.46 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 55 A 8.59 3.74 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 *59 P 0.00 4.36 0.00 2.07 2.15 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 60 N 7.93 4.89 0.00 2.69 2.65 0.00 0.00 6.81 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 61 D 8.00 4.48 0.00 2.85 2.90 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 62 E 8.48 4.73 0.00 1.95 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 2.28 2.26 0.00 63 S 7.85 4.50 0.00 3.82 3.85 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 64 K 7.72 4.32 0.00 2.01 1.71 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.53 1.86 7.81 65 I 8.23 5.21 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 1.28 0.86 0.92 0.00 0.00 66 A 8.82 5.00 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 67 V 8.81 4.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 68 L 8.89 5.08 0.00 1.77 1.49 0.92 0.89 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 69 V 8.79 4.88 2.28 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 1.00 0.00 0.00 1.00 0.00 0.00 70 V 9.31 5.23 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 1.19 0.00 0.00 0.96 0.00 0.00 71 I 9.31 5.27 2.05 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 1.29 0.78 0.92 0.00 0.00 72 Y 8.35 5.34 0.00 3.18 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 73 D 9.30 5.58 0.00 2.82 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 74 H 8.71 4.66 0.00 3.21 3.19 0.00 5.76 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.90 4.75 0.00 3.24 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.97 4.14 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.34 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 77 R 8.31 4.19 0.00 1.83 1.76 0.00 3.39 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 78 E 8.14 3.75 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 79 L 7.50 4.30 0.00 1.75 1.65 0.93 0.69 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 80 N 8.11 4.10 0.00 2.77 2.85 0.00 0.00 6.79 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 81 Q 8.00 3.93 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 82 R 7.45 3.88 0.00 2.22 1.92 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 83 M 8.17 3.99 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 84 I 7.66 3.57 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.69 0.00 0.00 85 D 8.17 4.37 0.00 2.83 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 86 I 7.56 3.68 1.96 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 1.38 0.74 0.90 0.00 0.00 87 Q 8.27 4.06 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 88 H 8.95 4.19 0.00 3.37 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.92 4.30 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 90 S 7.89 4.27 0.00 4.03 4.10 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 0.00 0.00 0.00 91 G 7.78 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 92 T 7.29 4.36 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 1.21 0.00 0.00 93 H 9.04 5.03 0.00 3.04 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.38 4.32 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 0.82 0.00 0.00 0.98 0.00 0.00 95 L 9.26 4.52 0.00 1.63 1.71 0.93 1.10 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 96 S 7.53 4.80 0.00 3.85 3.91 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 0.00 0.00 0.00 0.00 97 T 8.50 5.25 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 1.24 0.00 0.00 98 T 8.65 4.73 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 1.23 0.00 0.00 99 H 9.08 5.31 0.00 3.03 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.93 4.38 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 1.22 0.63 0.89 0.00 0.00 101 H 8.88 4.89 0.00 3.04 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.48 4.14 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.44 0.00 103 D 7.61 4.60 0.00 2.56 2.51 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 0.00 0.00 0.00 0.00 104 E 8.91 4.21 0.00 2.03 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 2.23 1.91 0.00 105 H 9.48 5.06 0.00 2.94 3.24 0.00 5.52 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.06 5.24 0.00 2.56 2.62 0.00 0.00 6.43 7.66 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 0.00 107 C 8.69 4.96 0.00 2.46 1.76 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 0.00 108 L 9.02 4.97 0.00 1.71 1.48 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.77 5.78 0.00 2.15 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 2.16 1.90 0.00 110 T 8.55 5.10 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 1.23 0.00 0.00 111 I 8.87 4.87 1.87 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 1.22 0.60 0.91 0.00 0.00 112 I 8.76 4.86 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 1.29 0.91 0.92 0.00 0.00 113 L 8.84 5.39 0.00 1.79 1.74 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.20 5.39 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 115 G 7.89 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 0.00 116 N 7.98 4.96 0.00 3.06 3.14 0.00 0.00 6.93 6.71 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 0.00 117 S 8.58 4.13 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.83 4.11 0.00 3.03 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 0.00 119 E 8.51 3.94 0.00 2.16 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 2.52 2.54 0.00 120 I 7.62 3.85 2.00 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 1.57 1.19 0.89 0.00 0.00 121 Q 7.83 4.10 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.19 0.00 122 R 7.34 3.91 0.00 1.74 1.87 0.00 2.86 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.00 123 L 7.48 3.90 0.00 1.75 1.67 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.97 3.88 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 125 L 7.71 3.92 0.00 1.74 1.57 0.88 0.95 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 0.00 126 E 7.53 3.89 0.00 2.05 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 2.29 2.52 0.00 127 I 7.76 4.04 1.93 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 1.38 0.69 0.86 0.00 0.00 128 G 8.11 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.75 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 0.00 0.00 0.00 130 L 7.00 4.14 0.00 1.69 1.57 0.86 0.67 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 0.00 131 R 8.29 4.11 0.00 1.77 1.85 0.00 3.22 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 132 G 8.93 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 0.00 133 V 7.42 4.57 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 0.91 0.00 0.00 0.99 0.00 0.00 134 K 8.85 4.59 0.00 1.86 1.95 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.42 7.81 135 F 8.00 4.88 0.00 3.18 2.90 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 0.00 136 A 7.44 4.98 1.05 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 0.00 0.00 137 K 8.93 4.34 0.00 1.43 1.69 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.46 7.81 138 L 8.43 5.15 0.00 1.56 1.47 0.89 0.97 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 0.00 139 T 9.00 4.68 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 1.22 0.00 0.00 140 K 8.75 4.70 0.00 1.63 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.42 7.81 141 A 8.65 4.40 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 * Residues marked with a * may have inaccurate shift predictions.