NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 N 4.8880 8.2676 119.4688 53.6832 40.4216 172.9341 37 Q 4.9866 8.2819 123.1880 52.9894 32.4154 171.8596 38 L 4.5795 8.0530 118.5174 55.5607 44.7404 174.1433 39 S 5.4516 8.3393 114.2753 55.9050 65.4892 173.0453 40 L 4.8490 8.5095 125.0882 53.6125 43.2839 174.8094 41 S 4.7390 8.8998 122.4565 57.0388 64.0066 172.8241 42 S 5.0852 8.3332 120.2895 56.8297 64.9300 173.9849 43 S 4.2709 8.5737 122.1055 60.9541 63.5331 174.1449 44 D 4.6148 8.2275 118.8964 51.7993 41.8619 175.6407 45 E 3.7168 8.3289 124.0994 59.0992 29.5764 178.0918 46 Y 4.5629 7.0014 113.5132 58.0154 38.8750 176.4045 47 K 4.1893 8.0300 121.9108 56.8269 34.4471 177.5914 48 E 3.9846 8.9384 121.3766 59.5540 29.3394 179.6030 49 L 3.9402 7.8892 119.7458 58.5074 42.4204 178.6258 50 T 3.8516 8.0218 115.2146 66.8526 68.3363 176.1547 51 R 3.8787 7.8906 119.9277 59.5678 30.2888 178.5880 52 L 3.9863 8.1125 118.8539 57.8843 41.4626 179.9460 53 V 3.6987 8.3257 112.6117 63.8274 31.3964 178.9814 54 R 3.9561 7.7137 118.0453 59.1013 29.9286 178.5904 55 E 4.0952 8.3783 116.6621 58.4210 29.9968 178.2150 56 R 4.1299 7.8554 119.0030 57.6892 30.3975 177.5814 57 L 3.9600 7.4914 120.6804 57.6269 42.0715 178.7786 58 R 3.9444 8.0996 116.3896 58.9536 29.4290 178.2060 59 L 4.0289 7.4988 119.3934 56.6641 42.1281 176.7892 60 N 4.8931 7.2197 112.1981 53.0391 39.0552 173.9830 61 N 4.1502 8.5468 114.1869 54.6152 36.6302 174.2897 62 V 4.5271 7.5934 116.8916 61.0527 33.7201 174.9805 63 K 4.4324 8.7631 129.3196 55.6326 34.0303 175.1510 64 I 4.9073 8.2824 126.6749 59.8708 39.3467 175.0965 65 V 4.5405 8.5762 119.9777 59.1210 35.7971 175.0147 66 D 4.9278 8.5250 121.5716 53.2235 41.6042 176.2324 67 A 4.0059 8.2693 122.5819 53.1251 18.8068 177.1493 68 A 4.4831 8.1946 121.3911 51.1578 22.0732 177.3256 69 N 4.3512 9.0679 121.0144 55.6921 38.7577 175.5263 70 D 4.7457 8.0187 115.2055 52.5708 39.8674 175.7996 71 V 4.3022 8.1053 120.5124 60.1435 33.4416 173.3672 72 P 4.5453 0.0000 0.0000 63.5656 32.3585 175.4541 73 V 4.8938 8.4998 116.5181 58.9120 34.3459 174.6739 74 L 4.8782 9.1363 126.8684 53.5311 44.2793 174.7590 75 R 5.0290 8.9810 127.9464 54.6327 32.4184 174.6860 76 L 4.6623 9.3531 127.5152 54.3902 42.4022 177.0647 77 I 4.1995 8.8123 125.8996 63.1411 38.0600 176.4091 78 T 4.7662 7.6001 109.7601 60.9072 71.8140 171.7350 79 D 5.7817 8.7547 121.9650 52.0710 42.3695 174.4697 80 S 4.9578 8.7706 116.1878 56.3818 67.0203 172.1918 81 L 5.5186 8.7212 122.3418 53.4433 44.6690 175.0048 82 E 4.8662 9.4773 125.8981 54.4427 32.9421 174.1422 83 R 5.2860 8.7147 126.3430 54.6889 33.2337 174.3422 84 S 4.9227 8.7618 118.8345 56.7426 66.9549 173.4602 85 T 4.1978 8.7818 112.9370 62.5828 68.3319 173.0300 86 L 4.4958 8.4895 127.5791 56.3087 44.2019 176.4377 87 S 4.6499 7.9633 112.5521 56.6531 66.2317 172.7811 88 L 4.9793 8.2198 126.8099 53.6829 41.9768 175.7659 89 Y 4.4236 8.4605 120.7323 57.6643 38.7235 176.1447 90 P 4.3810 0.0000 0.0000 65.5390 31.4506 177.7663 91 T 4.1286 7.5178 108.4886 61.9287 69.4707 175.5312 92 G 4.3218 7.9225 120.0491 45.5621 0.0000 173.1510 93 N 4.3386 7.5649 118.6826 52.1010 37.5957 174.1648 94 V 3.6242 8.1924 119.3798 62.7854 31.6521 174.7585 95 A 3.1195 8.0327 132.6282 51.7392 18.0262 176.3402 96 E 4.7674 7.8857 110.9517 53.5616 33.8233 175.3855 97 Y 5.1460 8.3360 118.2727 56.2000 42.2732 173.9769 98 E 5.3838 8.8394 121.2390 53.6131 32.6600 174.4383 99 L 5.3574 9.3747 126.5958 53.0449 44.9556 175.4078 100 I 4.8411 8.9175 124.0735 59.6172 40.8130 173.6493 101 Y 5.1852 9.0203 129.3165 56.1021 40.6065 174.2215 102 F 5.1044 9.3487 126.5082 56.1290 41.6445 175.3673 103 V 4.7651 8.8148 121.8963 61.1460 35.1857 173.4043 104 E 5.4359 9.6304 128.9790 54.4527 32.3393 174.5766 105 F 5.6681 9.2256 120.5863 55.5904 42.3181 172.9623 106 A 5.2628 9.6491 120.2929 50.2614 23.2331 175.4003 107 V 4.8160 8.6936 118.0520 61.2999 35.2390 174.0222 108 A 4.8114 8.7309 129.5678 50.0303 20.9706 175.3764 109 L 4.5929 8.5027 122.1116 53.8689 43.6285 175.1763 110 P 4.3019 0.0000 0.0000 65.5397 31.3131 175.1731 111 G 4.3890 9.0758 117.8822 45.7905 0.0000 173.8696 112 K 4.1975 6.9943 118.4562 55.1744 32.7037 176.8459 113 E 4.0914 8.4126 121.4668 55.6549 30.2927 176.5100 114 A 4.3591 8.4173 127.9849 52.1571 19.4948 176.8461 115 Q 4.7505 8.5196 119.6646 53.5521 31.7832 173.4772 116 P 4.9110 0.0000 0.0000 62.8940 33.0825 175.3636 117 F 4.5615 8.4963 118.3809 55.9656 43.4670 173.6745 118 K 5.2456 8.7175 121.8961 54.7512 35.2267 175.3960 119 I 4.9124 8.8694 123.2794 59.4720 41.8381 173.4380 120 E 5.0278 8.7807 125.6813 54.6105 32.7149 174.5325 121 I 4.5403 8.4848 123.1530 59.4471 40.1790 174.3777 122 R 5.1518 8.5492 126.3145 54.5563 32.6730 174.6278 123 R 4.7409 9.1389 125.6022 54.9733 34.0533 173.0397 124 D 5.6546 8.8689 125.1913 52.7730 43.9899 174.7011 125 Y 4.9445 8.6698 119.6173 55.2076 42.1142 173.5648 126 L 4.7280 8.6799 122.2231 53.7698 43.5704 174.9049 127 D 5.2198 8.8879 126.9029 53.0236 42.7466 175.6193 128 D 4.9220 8.6740 124.5457 51.4847 41.2295 175.1351 129 P 4.5788 0.0000 0.0000 63.5401 31.1067 177.2724 130 R 4.1583 7.5072 118.3242 56.6313 30.5057 175.9786 131 T 4.1386 8.2463 111.7632 62.2452 67.9312 175.5874 132 A 4.5628 8.5283 127.0127 52.6618 18.1819 178.0806 133 L 4.7987 8.5726 120.8009 55.2376 43.6221 178.6864 134 A 4.1928 8.0229 121.1925 54.6644 18.8928 179.4895 135 K 4.1525 8.0397 114.7305 59.2424 32.3303 178.9269 136 S 4.0436 7.4158 114.7174 61.6991 62.9265 176.5837 137 R 3.8479 7.4266 120.9620 59.0120 30.1563 176.9654 138 E 4.1473 7.8142 117.2017 57.0582 29.6465 177.5210 *140 E 4.3809 8.0507 118.4574 56.2566 31.5719 177.7792 141 L 3.9736 8.1304 120.5985 57.6952 41.8025 178.6161 142 L 3.9104 7.6229 119.2771 57.6616 42.1312 178.5027 143 V 3.6165 7.3700 117.3602 65.4583 31.7815 177.4237 144 K 4.0243 7.8641 119.2381 59.1798 31.8836 179.1112 145 E 4.2164 7.6735 116.8433 56.8778 29.2215 179.0187 *147 R 4.1030 7.9852 120.3255 56.4150 32.3907 178.0782 148 I 3.6103 8.0170 118.7552 64.5443 37.0968 178.0254 149 Q 3.9312 8.2439 120.1677 59.2435 28.6482 178.6487 150 A 3.9068 7.9012 120.7864 55.1128 18.6795 178.9255 151 A 3.8409 8.3411 119.7463 55.5951 18.3282 179.3244 152 D 4.2649 8.3063 117.3719 57.7913 40.8948 179.1791 153 R 3.8397 7.8548 118.7685 59.5458 29.7779 178.5387 154 I 3.0633 7.6085 118.9842 63.9933 37.0352 178.1405 155 L 4.0132 7.5605 118.6495 57.9595 41.7118 178.9809 156 Q 4.1108 8.1645 119.4295 59.0291 29.0481 177.9592 157 S 4.3341 8.2695 113.8096 58.6236 62.9327 175.5145 *159 A 4.3290 8.0728 124.6992 51.6456 20.2568 179.9137 160 S 4.2785 7.7984 112.1898 61.4994 62.8692 176.3017 161 T 4.1177 7.4460 113.3434 63.9548 67.1098 175.0502 162 E 4.4525 7.9032 118.8226 58.3307 30.8344 177.7905 163 V 3.7503 7.4736 117.8637 64.7850 31.2703 175.9272 164 N 4.5288 7.6938 119.2306 53.3763 38.4327 174.6476 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 36 N 8.27 4.89 0.00 2.86 2.77 0.00 0.00 6.55 6.14 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 37 Q 8.28 4.99 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 38 L 8.05 4.58 0.00 2.04 1.76 0.92 0.77 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 39 S 8.34 5.45 0.00 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.51 4.85 0.00 1.62 1.60 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.90 4.74 0.00 3.94 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 42 S 8.33 5.09 0.00 3.84 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.57 4.27 0.00 3.76 3.92 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 0.00 0.00 0.00 0.00 44 D 8.23 4.61 0.00 2.69 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 45 E 8.33 3.72 0.00 1.16 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 46 Y 7.00 4.56 0.00 3.02 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 47 K 8.03 4.19 0.00 2.02 2.04 0.00 1.38 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.69 7.81 48 E 8.94 3.98 0.00 2.00 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 2.42 2.31 0.00 49 L 7.89 3.94 0.00 1.90 1.73 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.02 3.85 4.40 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 1.22 0.00 0.00 51 R 7.89 3.88 0.00 1.93 2.09 0.00 3.10 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 1.63 1.68 0.00 52 L 8.11 3.99 0.00 1.83 1.68 0.88 0.86 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 53 V 8.33 3.70 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 0.89 0.00 0.00 0.97 0.00 0.00 54 R 7.71 3.96 0.00 2.05 1.95 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 55 E 8.38 4.10 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 56 R 7.86 4.13 0.00 2.13 1.90 0.00 3.05 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 57 L 7.49 3.96 0.00 2.12 1.77 0.89 0.80 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 58 R 8.10 3.94 0.00 2.08 2.16 0.00 2.83 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 59 L 7.50 4.03 0.00 1.79 1.87 0.91 0.90 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 60 N 7.22 4.89 0.00 2.89 2.75 0.00 0.00 7.00 7.88 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 61 N 8.55 4.15 0.00 2.81 2.88 0.00 0.00 6.64 8.22 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 62 V 7.59 4.53 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 0.78 0.00 0.00 0.99 0.00 0.00 63 K 8.76 4.43 0.00 1.89 1.64 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.41 7.81 64 I 8.28 4.91 1.86 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 0.76 0.90 0.00 0.00 65 V 8.58 4.54 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 0.87 0.00 0.00 0.93 0.00 0.00 66 D 8.53 4.93 0.00 2.67 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 67 A 8.27 4.01 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 68 A 8.19 4.48 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 69 N 9.07 4.35 0.00 2.73 2.92 0.00 0.00 6.98 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 70 D 8.02 4.75 0.00 2.77 2.75 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 71 V 8.11 4.30 2.18 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 0.86 0.00 0.00 0.93 0.00 0.00 72 P 0.00 4.55 0.00 2.16 2.19 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 73 V 8.50 4.89 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 0.99 0.00 0.00 0.98 0.00 0.00 74 L 9.14 4.88 0.00 1.70 1.65 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.98 5.03 0.00 1.94 1.81 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 76 L 9.35 4.66 0.00 1.80 1.62 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.81 4.20 2.06 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 1.31 0.57 0.92 0.00 0.00 78 T 7.60 4.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 79 D 8.75 5.78 0.00 2.54 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 80 S 8.77 4.96 0.00 3.87 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 81 L 8.72 5.52 0.00 1.83 1.67 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.48 4.87 0.00 2.48 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 2.33 2.34 0.00 83 R 8.71 5.29 0.00 1.79 1.65 0.00 3.14 0.00 0.00 2.53 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 84 S 8.76 4.92 0.00 3.98 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 85 T 8.78 4.20 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 1.33 0.00 0.00 86 L 8.49 4.50 0.00 1.60 1.79 0.91 0.94 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 87 S 7.96 4.65 0.00 3.80 3.42 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 0.00 88 L 8.22 4.98 0.00 1.60 1.53 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.46 4.42 0.00 3.10 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 90 P 0.00 4.38 0.00 2.20 2.24 0.00 4.10 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 91 T 7.52 4.13 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 92 G 7.92 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 0.00 0.00 0.00 0.00 93 N 7.56 4.34 0.00 2.95 3.03 0.00 0.00 5.78 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 94 V 8.19 3.62 1.68 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 -0.16 0.00 0.00 0.84 0.00 0.00 95 A 8.03 3.12 0.40 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 0.00 0.00 96 E 7.89 4.77 0.00 1.97 1.84 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 2.02 2.12 0.00 97 Y 8.34 5.15 0.00 1.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.84 5.38 0.00 2.04 1.80 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 2.21 2.41 0.00 99 L 9.37 5.36 0.00 1.81 1.59 1.00 0.77 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 0.00 100 I 8.92 4.84 1.81 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 1.03 0.76 -0.11 0.00 0.00 101 Y 9.02 5.19 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.35 5.10 0.00 2.88 2.92 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 0.00 0.00 0.00 0.00 103 V 8.81 4.77 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 0.97 0.00 0.00 0.51 0.00 0.00 104 E 9.63 5.44 0.00 2.04 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 2.35 2.23 0.00 105 F 9.23 5.67 0.00 3.35 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 0.00 106 A 9.65 5.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.69 4.82 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 108 A 8.73 4.81 1.26 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 0.00 0.00 0.00 109 L 8.50 4.59 0.00 1.61 1.61 0.97 1.03 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 0.00 110 P 0.00 4.30 0.00 2.18 2.10 0.00 3.74 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 2.00 1.98 0.00 111 G 9.08 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 0.00 0.00 0.00 0.00 112 K 6.99 4.20 0.00 1.77 1.77 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.43 7.81 113 E 8.41 4.09 0.00 1.90 1.84 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 2.28 2.35 0.00 114 A 8.42 4.36 1.26 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 0.00 0.00 0.00 115 Q 8.52 4.75 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 116 P 0.00 4.91 0.00 1.94 1.98 0.00 3.54 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 117 F 8.50 4.56 0.00 1.51 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 0.00 0.00 0.00 118 K 8.72 5.25 0.00 1.62 1.75 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.37 7.81 119 I 8.87 4.91 2.11 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 1.35 1.98 1.10 0.00 0.00 120 E 8.78 5.03 0.00 1.49 1.65 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 2.14 2.22 0.00 121 I 8.48 4.54 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.97 0.00 0.00 122 R 8.55 5.15 0.00 1.72 1.75 0.00 3.32 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 123 R 9.14 4.74 0.00 1.89 1.74 0.00 3.11 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 124 D 8.87 5.65 0.00 2.66 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 0.00 125 Y 8.67 4.94 0.00 3.07 3.01 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 0.00 126 L 8.68 4.73 0.00 1.70 1.68 1.06 1.01 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 0.00 127 D 8.89 5.22 0.00 2.79 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 0.00 128 D 8.67 4.92 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.58 0.00 2.17 2.11 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 130 R 7.51 4.16 0.00 2.08 1.99 0.00 3.56 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 131 T 8.25 4.14 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 1.25 0.00 0.00 132 A 8.53 4.56 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 0.00 133 L 8.57 4.80 0.00 1.68 1.60 0.93 1.43 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 0.00 134 A 8.02 4.19 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 0.00 135 K 8.04 4.15 0.00 1.89 1.95 0.00 1.78 0.00 0.00 2.37 0.00 0.00 3.37 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.75 1.66 7.81 136 S 7.42 4.04 0.00 4.07 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 0.00 137 R 7.43 3.85 0.00 1.94 1.96 0.00 3.24 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 138 E 7.81 4.15 0.00 1.98 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 2.16 2.22 0.00 *140 E 8.05 4.38 0.00 2.01 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 2.42 2.21 0.00 141 L 8.13 3.97 0.00 1.72 1.81 0.89 0.45 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 0.00 142 L 7.62 3.91 0.00 1.48 1.49 0.87 0.70 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 0.00 143 V 7.37 3.62 2.11 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 0.66 0.00 0.00 0.84 0.00 0.00 144 K 7.86 4.02 0.00 1.83 1.87 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 145 E 7.67 4.22 0.00 2.08 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 2.29 2.59 0.00 *147 R 7.99 4.10 0.00 1.86 1.92 0.00 2.98 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.33 0.00 148 I 8.02 3.61 2.01 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 1.37 0.94 0.89 0.00 0.00 149 Q 8.24 3.93 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 150 A 7.90 3.91 1.56 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 0.00 151 A 8.34 3.84 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 0.00 152 D 8.31 4.26 0.00 2.99 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 0.00 153 R 7.85 3.84 0.00 2.00 2.04 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 154 I 7.61 3.06 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.45 0.26 0.00 0.00 155 L 7.56 4.01 0.00 1.83 1.67 0.88 0.69 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 0.00 156 Q 8.16 4.11 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.15 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 157 S 8.27 4.33 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *159 A 8.07 4.33 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 0.00 160 S 7.80 4.28 0.00 3.83 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 0.00 161 T 7.45 4.12 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 162 E 7.90 4.45 0.00 1.96 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 2.24 2.34 0.00 163 V 7.47 3.75 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 0.81 0.00 0.00 0.94 0.00 0.00 164 N 7.69 4.53 0.00 2.81 2.79 0.00 0.00 6.87 7.44 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 * Residues marked with a * may have inaccurate shift predictions.