NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.2599 8.2649 123.5817 52.3075 20.0816 175.0618 17 N 4.7683 7.9693 116.4811 50.8463 41.3995 173.8840 18 R 3.8511 9.1115 119.4812 60.3095 30.8965 178.2898 19 A 4.0783 7.9822 119.8270 54.9895 18.5158 179.6752 20 G 3.4988 7.9704 103.7624 48.0144 0.0000 175.5478 21 R 3.9204 8.2650 122.1298 59.3827 30.0422 178.6133 22 Q 3.9996 8.2336 117.4363 58.5824 28.6223 178.5074 23 A 3.9945 7.9449 121.7836 55.2281 18.4706 179.7494 24 R 3.8832 8.0257 116.5611 59.5303 30.0393 179.3503 25 I 3.6855 7.7979 119.4758 64.3153 36.7148 178.5533 26 V 3.5612 7.8939 118.7996 65.9554 31.2209 177.8952 27 A 4.0170 7.9902 120.3813 55.2687 18.2640 179.5870 28 I 3.7648 8.2696 118.6194 64.6943 37.0080 178.7447 29 L 4.1575 8.1294 118.7485 57.2112 41.4672 179.1023 30 S 4.3905 7.7333 113.4107 60.0028 63.4091 175.0528 31 S 4.5025 7.6693 113.3723 57.9831 63.8372 173.3050 32 A 4.7364 7.7757 122.8592 50.4551 21.6542 175.9426 33 Q 4.3654 8.3899 118.7130 54.3593 28.5488 175.0033 34 V 4.2948 8.0543 122.8536 61.5892 32.0543 176.6139 35 R 4.4633 9.0576 127.1172 57.3760 30.9851 177.0013 36 S 4.8980 7.5807 111.5060 56.3079 66.9537 175.0722 37 Q 3.9289 8.6922 121.3819 58.7287 28.5420 178.3642 38 N 4.2768 8.1504 117.9943 56.7722 38.9860 176.5771 39 E 3.9951 8.2312 119.9903 59.3358 29.4768 179.1025 40 L 3.9160 8.0371 120.2280 58.0124 42.0122 178.8938 41 A 3.9457 8.2843 120.7995 54.9308 18.2624 179.5479 42 A 3.9179 7.8166 118.8749 55.2894 18.1586 179.7489 43 L 3.9629 8.1036 117.6588 58.0758 41.6764 179.9009 44 L 4.1810 8.2587 118.7957 57.7189 41.5976 179.4161 45 A 4.2610 8.6637 122.0939 54.4359 18.0334 179.4900 46 A 4.1233 7.9980 119.0246 54.0963 18.4470 177.8522 47 E 4.5281 7.5444 115.2259 56.2030 30.0318 177.4394 48 G 3.8912 8.2058 107.9971 46.4329 0.0000 174.2546 49 I 4.0794 7.6542 121.9606 60.0870 37.5060 174.7000 50 E 4.7536 8.7020 125.6735 54.6638 30.5856 175.6827 51 V 4.5160 7.9553 116.0553 58.9257 36.1134 175.8174 52 T 4.3967 7.9804 112.0715 60.6342 71.6152 175.4473 53 Q 3.9209 8.4892 120.8892 59.1467 28.9217 177.8778 54 A 3.9689 7.9502 121.2762 55.5913 18.4330 179.5073 55 T 3.8018 7.3989 113.7833 66.8370 68.4362 176.8742 56 L 3.8836 7.8316 120.6248 57.5926 41.5973 179.2493 57 S 4.0482 8.4624 113.5579 61.6714 62.1946 176.6628 58 R 3.9100 7.9306 120.4013 59.2528 29.7248 178.5738 59 D 4.3639 8.6878 119.0798 57.6995 40.8264 179.2033 60 L 3.9452 8.2080 119.5189 57.4255 41.5354 179.2920 61 E 3.9160 8.2253 119.4815 59.4154 29.4430 178.6360 62 E 4.0037 8.2369 117.6004 59.4932 29.6055 179.1092 63 L 4.2205 8.1442 117.8530 55.3680 41.6814 178.0077 64 G 3.8477 7.8565 106.1725 45.8945 0.0000 173.3710 65 A 4.4836 8.1137 121.4383 51.7238 19.0172 178.4383 66 V 4.4505 8.7862 114.7666 59.3002 35.6040 175.4544 67 K 4.1083 8.5377 125.6397 55.5688 31.9284 175.1827 68 L 4.7367 8.9717 130.8459 53.7249 43.9258 175.2897 69 R 4.7891 8.2891 120.2426 55.3959 32.3161 175.4298 70 G 3.9801 8.2711 109.6319 44.3445 0.0000 172.6268 71 A 4.0605 8.4384 122.5682 53.3425 19.1539 177.5715 72 D 4.3567 8.6150 122.0126 55.8216 38.4675 174.4678 73 G 3.9644 8.1197 102.9219 44.8718 0.0000 175.9679 74 G 3.8111 7.8771 106.6877 46.1540 0.0000 174.6118 75 T 4.0535 8.4397 115.7354 63.9086 69.2898 175.6832 76 G 3.9825 8.5284 106.7834 44.8048 0.0000 172.3932 77 I 4.7857 8.0918 111.9390 58.7293 41.2071 174.2971 78 Y 4.6986 8.8071 122.5128 58.3351 38.3607 175.7115 79 V 4.6674 9.1296 116.4729 59.7881 36.6859 174.7501 80 V 4.5655 8.2628 116.0629 58.6543 33.5476 174.1780 81 P 4.2490 0.0000 0.0000 64.4217 32.7242 176.2938 82 E 3.7812 8.2867 120.5445 57.5274 27.0835 176.0715 *89 G 3.8405 8.3357 116.1300 46.3802 0.0000 170.9567 90 V 4.3847 7.8594 118.0207 60.3851 34.0342 176.0433 91 S 4.1660 8.6338 120.0643 59.9576 62.7262 174.5043 92 G 3.9125 8.9635 113.8471 46.1638 0.0000 175.1098 93 G 3.8292 8.2647 108.2877 48.3696 0.0000 176.2184 94 T 4.0489 7.8300 111.7681 63.7434 68.8985 176.0603 95 D 4.2634 7.8950 121.0677 57.0256 41.1368 177.6532 96 R 3.8398 8.3021 118.8318 59.6935 30.3145 177.9310 97 M 4.0926 7.8800 117.0972 58.6999 32.4425 178.0465 98 A 4.0474 8.5632 121.2882 55.1034 18.2401 179.3799 99 R 3.8555 8.0477 116.8618 59.6310 30.3781 178.2099 100 L 4.2504 7.8071 117.3815 56.3290 41.8074 179.0915 101 L 4.0524 7.7337 119.5752 57.5835 41.3023 179.3925 102 G 3.6795 8.0310 104.3701 47.7822 0.0000 175.2401 103 E 4.1438 8.0609 119.3260 58.8319 30.2859 177.8504 104 L 4.3954 8.5915 117.1182 54.4575 43.1043 175.9241 105 L 4.2209 7.7351 121.0284 53.7956 41.4449 176.1843 106 V 3.9642 8.8219 128.0398 65.5863 31.9652 176.0458 107 S 4.8079 7.6684 112.5642 57.6296 65.9503 173.2243 108 T 5.0866 8.1259 110.1658 60.5738 72.0191 172.0150 109 D 4.6925 8.5238 120.8921 54.5571 45.4550 173.0818 110 D 5.0659 8.2970 117.9238 53.1363 42.4076 175.1156 111 S 4.3967 9.4584 111.2941 58.6387 66.9449 174.8407 112 G 3.7138 8.2851 117.6217 47.2599 0.0000 173.6814 113 N 4.9005 8.7706 122.0388 52.4446 37.3721 173.5103 114 L 5.2839 8.1202 119.0637 53.3347 44.8655 175.1829 115 A 4.9753 8.8738 125.3811 50.5232 21.6461 175.9826 116 V 4.6066 8.8906 122.2868 61.2513 33.8633 174.2251 117 L 5.0718 8.7301 128.6228 53.1319 44.1816 175.8813 118 R 5.2314 8.7581 121.9714 54.7153 32.9499 175.1071 119 T 5.5648 8.5517 111.5053 57.8863 73.1556 171.3347 120 P 4.3974 0.0000 0.0000 61.6430 32.7589 174.5496 121 P 4.4155 0.0000 0.0000 64.4729 31.5861 177.3456 122 G 4.0033 8.8587 110.5628 45.5316 0.0000 174.7477 123 A 4.3307 7.9803 120.1988 53.1055 18.6570 179.0357 124 A 3.9135 7.7378 120.0855 55.6497 18.4092 179.5906 125 H 4.0463 8.2376 114.0968 58.9330 28.6502 177.3568 126 Y 4.3375 8.0049 121.0478 60.7596 38.7431 177.6214 127 L 3.7545 8.0007 121.0989 57.9125 42.1392 178.6843 128 A 3.9147 8.2320 121.0654 55.0117 18.2860 179.3911 129 S 4.0290 8.3533 111.6602 61.6453 62.5678 176.3989 130 A 3.9541 7.6661 123.2619 55.0059 17.8329 179.5987 131 I 3.7009 7.6604 117.5018 64.7237 37.6231 177.8124 132 D 4.5626 8.4192 119.9896 57.8202 40.4955 179.4677 133 R 3.9961 7.9279 116.5975 58.9241 30.0826 178.6966 134 A 4.0091 7.9065 119.2494 52.5466 19.1074 176.9527 135 A 3.7192 7.7628 119.2649 52.9428 16.9268 177.7369 136 L 4.1007 7.5518 120.6707 54.7259 42.5961 177.6891 137 P 4.3125 0.0000 0.0000 65.3139 31.7093 177.2295 138 Q 4.2355 8.0161 115.4600 56.0152 29.0158 174.6015 139 V 4.7017 7.3199 119.2834 61.1108 32.4647 175.6954 140 V 3.7565 9.1146 129.7567 64.7352 32.2566 175.7995 141 G 4.1831 7.2131 106.3067 46.4982 0.0000 171.5427 142 T 5.3559 8.3616 108.7272 59.9085 72.2259 173.4790 143 I 4.6693 8.6296 122.6202 59.5558 40.9835 174.1142 144 A 4.9627 8.6397 128.1447 49.0551 21.0720 175.3481 145 G 4.1250 8.9674 110.2674 45.6541 0.0000 174.1092 146 D 4.6905 8.9984 123.3567 55.1457 42.1170 176.5395 147 D 5.0877 7.7872 114.7952 51.7532 41.6219 174.8506 148 T 5.1163 7.8110 114.6277 62.4080 73.2934 172.5920 149 I 4.9165 8.7981 125.8119 59.4881 40.8861 174.3730 150 L 4.8243 8.7318 127.0041 53.4654 43.4941 175.5625 151 V 4.7019 8.7170 124.8786 61.1166 33.8235 174.4233 152 V 4.5358 8.7253 128.9775 61.7178 32.6206 174.8860 153 A 4.7044 8.9319 131.1402 51.6433 19.5603 176.6427 154 R 4.1849 8.9741 123.0423 55.4100 31.2537 176.0403 155 E 4.2795 8.9267 126.4586 56.4279 30.0248 174.7858 156 P 4.7250 0.0000 0.0000 62.7085 31.7667 175.8955 157 T 3.8697 7.6329 116.2150 64.7545 68.9907 174.4510 158 T 4.6337 8.2144 115.8297 60.1115 72.2157 175.9801 159 G 3.7229 8.7926 108.7680 48.0943 0.0000 175.8700 160 A 4.0105 7.9569 122.4069 54.9720 18.4778 179.3634 161 Q 3.8751 8.1075 118.0639 59.2299 29.0775 178.2077 162 L 3.8421 7.8763 119.7584 57.9294 41.6364 179.4108 163 A 4.3340 8.4639 120.8833 55.2568 18.3236 179.9413 164 G 3.5231 8.2538 104.2986 47.9425 0.0000 175.5494 165 M 3.9184 8.3795 120.9229 58.5005 32.1156 178.2678 166 F 4.2157 8.1378 118.1159 60.8031 38.8753 177.5820 167 E 4.1334 8.3671 117.2186 59.3749 29.2987 178.6098 168 N 4.4913 8.1483 116.2411 56.1246 39.1229 176.5539 169 L 4.1800 7.8682 119.1212 56.3157 41.8748 177.0929 170 R 4.1281 7.3999 121.1606 56.7709 30.1573 176.0583 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 16 A 8.26 4.26 1.27 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 0.00 0.00 17 N 7.97 4.77 0.00 2.83 2.76 0.00 0.00 6.42 6.78 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 18 R 9.11 3.85 0.00 1.86 1.93 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 19 A 7.98 4.08 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 20 G 7.97 3.50 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 0.00 21 R 8.26 3.92 0.00 1.91 2.00 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 22 Q 8.23 4.00 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 23 A 7.94 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.03 3.88 0.00 1.98 2.00 0.00 3.56 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 1.86 1.82 0.00 25 I 7.80 3.69 2.02 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 1.37 0.85 0.87 0.00 0.00 26 V 7.89 3.56 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 27 A 7.99 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.27 3.76 2.07 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 1.54 0.84 0.92 0.00 0.00 29 L 8.13 4.16 0.00 1.63 1.78 0.95 1.05 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 30 S 7.73 4.39 0.00 4.04 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 31 S 7.67 4.50 0.00 4.06 4.03 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 32 A 7.78 4.74 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 33 Q 8.39 4.37 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 34 V 8.05 4.29 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 1.20 0.00 0.00 0.97 0.00 0.00 35 R 9.06 4.46 0.00 1.97 1.98 0.00 3.29 0.00 0.00 3.50 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 36 S 7.58 4.90 0.00 4.06 3.98 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 37 Q 8.69 3.93 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 38 N 8.15 4.28 0.00 2.84 2.83 0.00 0.00 7.25 7.65 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 39 E 8.23 4.00 0.00 2.28 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 2.34 2.34 0.00 40 L 8.04 3.92 0.00 1.70 1.76 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.28 3.95 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 42 A 7.82 3.92 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 43 L 8.10 3.96 0.00 1.85 1.75 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.26 4.18 0.00 1.81 1.85 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.66 4.26 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.00 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.54 4.53 0.00 2.18 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 2.41 2.37 0.00 48 G 8.21 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 0.00 0.00 0.00 49 I 7.65 4.08 1.99 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 0.84 0.91 0.00 0.00 50 E 8.70 4.75 0.00 1.92 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 2.20 2.29 0.00 51 V 7.96 4.52 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 0.76 0.00 0.00 0.91 0.00 0.00 52 T 7.98 4.40 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 53 Q 8.49 3.92 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 54 A 7.95 3.97 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 55 T 7.40 3.80 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 56 L 7.83 3.88 0.00 1.80 1.61 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.46 4.05 0.00 3.95 4.06 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 0.00 0.00 0.00 0.00 58 R 7.93 3.91 0.00 2.06 1.95 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 59 D 8.69 4.36 0.00 2.75 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 60 L 8.21 3.95 0.00 1.75 1.65 0.32 0.55 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 61 E 8.23 3.92 0.00 2.06 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 2.31 2.36 0.00 62 E 8.24 4.00 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 63 L 8.14 4.22 0.00 1.88 1.74 0.97 1.29 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 64 G 7.86 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 0.00 0.00 0.00 65 A 8.11 4.48 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.79 4.45 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 0.80 0.00 0.00 0.94 0.00 0.00 67 K 8.54 4.11 0.00 1.24 1.50 0.00 1.34 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.05 0.48 7.81 68 L 8.97 4.74 0.00 1.69 1.46 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.29 4.79 0.00 1.92 1.78 0.00 3.07 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 70 G 8.27 3.98 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 0.00 0.00 0.00 71 A 8.44 4.06 1.24 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 0.00 0.00 72 D 8.62 4.36 0.00 2.79 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 73 G 8.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.88 3.81 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 0.00 0.00 0.00 75 T 8.44 4.05 4.22 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 1.18 0.00 0.00 76 G 8.53 3.98 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 0.00 0.00 0.00 77 I 8.09 4.79 1.95 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 1.20 0.92 0.91 0.00 0.00 78 Y 8.81 4.70 0.00 2.89 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 79 V 9.13 4.67 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 0.79 0.00 0.00 0.95 0.00 0.00 80 V 8.26 4.57 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 0.76 0.00 0.00 0.95 0.00 0.00 81 P 0.00 4.25 0.00 2.04 2.03 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 82 E 8.29 3.78 0.00 2.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 *89 G 8.34 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.86 4.38 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 1.07 0.00 0.00 0.93 0.00 0.00 91 S 8.63 4.17 0.00 3.86 3.77 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 92 G 8.96 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 0.00 0.00 0.00 93 G 8.26 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 94 T 7.83 4.05 4.22 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 1.19 0.00 0.00 95 D 7.90 4.26 0.00 2.73 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 96 R 8.30 3.84 0.00 1.77 2.13 0.00 3.46 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 97 M 7.88 4.09 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 98 A 8.56 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.05 3.86 0.00 2.12 2.08 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 100 L 7.81 4.25 0.00 1.77 1.60 0.40 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.73 4.05 0.00 1.82 1.74 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.03 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 0.00 103 E 8.06 4.14 0.00 2.06 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 2.33 2.41 0.00 104 L 8.59 4.40 0.00 1.69 1.68 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.74 4.22 0.00 1.74 1.63 0.94 0.73 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 0.00 106 V 8.82 3.96 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 0.81 0.00 0.00 0.90 0.00 0.00 107 S 7.67 4.81 0.00 3.89 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 0.00 108 T 8.13 5.09 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 0.00 109 D 8.52 4.69 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.30 5.07 0.00 2.78 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 0.00 111 S 9.46 4.40 0.00 3.82 3.70 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 0.00 112 G 8.29 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 0.00 0.00 0.00 113 N 8.77 4.90 0.00 2.89 3.04 0.00 0.00 5.75 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 0.00 114 L 8.12 5.28 0.00 1.72 1.58 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.87 4.98 1.40 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 0.00 116 V 8.89 4.61 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 0.95 0.00 0.00 0.93 0.00 0.00 117 L 8.73 5.07 0.00 1.45 1.35 0.06 0.69 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 0.00 118 R 8.76 5.23 0.00 1.67 1.77 0.00 3.20 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 119 T 8.55 5.56 4.29 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 1.18 0.00 0.00 120 P 0.00 4.40 0.00 2.11 2.02 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 121 P 0.00 4.42 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 122 G 8.86 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 0.00 0.00 0.00 123 A 7.98 4.33 1.40 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 0.00 124 A 7.74 3.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.24 4.05 0.00 3.23 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.00 4.34 0.00 2.94 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.00 3.75 0.00 1.76 1.58 0.82 0.87 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 0.00 128 A 8.23 3.91 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 0.00 129 S 8.35 4.03 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.67 3.95 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.66 3.70 2.03 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.74 1.08 0.00 0.00 132 D 8.42 4.56 0.00 2.89 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 0.00 133 R 7.93 4.00 0.00 1.79 1.99 0.00 3.17 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 134 A 7.91 4.01 1.40 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 0.00 135 A 7.76 3.72 1.33 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 0.00 0.00 136 L 7.55 4.10 0.00 1.69 1.55 0.87 1.00 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 0.00 137 P 0.00 4.31 0.00 2.02 2.10 0.00 3.64 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 2.09 0.00 138 Q 8.02 4.24 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 139 V 7.32 4.70 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 0.80 0.00 0.00 0.97 0.00 0.00 140 V 9.11 3.76 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 141 G 7.21 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 0.00 0.00 0.00 0.00 142 T 8.36 5.36 4.22 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 1.28 0.00 0.00 143 I 8.63 4.67 1.86 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 1.16 0.95 0.90 0.00 0.00 144 A 8.64 4.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.97 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 9.00 4.69 0.00 2.69 2.65 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 0.00 147 D 7.79 5.09 0.00 2.96 2.78 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 0.00 148 T 7.81 5.12 4.22 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 1.24 0.00 0.00 149 I 8.80 4.92 1.74 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 1.15 0.72 0.88 0.00 0.00 150 L 8.73 4.82 0.00 1.62 1.58 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.72 4.70 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.85 0.00 0.00 152 V 8.73 4.54 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 0.00 153 A 8.93 4.70 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 0.00 154 R 8.97 4.18 0.00 1.86 1.81 0.00 3.16 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 155 E 8.93 4.28 0.00 2.00 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 2.32 2.31 0.00 156 P 0.00 4.73 0.00 2.16 2.12 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 157 T 7.63 3.87 4.35 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 1.25 0.00 0.00 158 T 8.21 4.63 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 1.21 0.00 0.00 159 G 8.79 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.96 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 8.11 3.88 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 162 L 7.88 3.84 0.00 2.01 1.87 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.46 4.33 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.25 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 0.00 165 M 8.38 3.92 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 166 F 8.14 4.22 0.00 3.25 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 0.00 167 E 8.37 4.13 0.00 2.09 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 2.60 2.49 0.00 168 N 8.15 4.49 0.00 2.81 2.92 0.00 0.00 7.27 7.27 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 0.00 169 L 7.87 4.18 0.00 1.71 1.73 0.82 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 0.00 170 R 7.40 4.13 0.00 2.02 1.91 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 * Residues marked with a * may have inaccurate shift predictions.