NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 E 4.6689 8.4293 121.7396 56.3738 30.7404 174.4820 42 Q 4.5169 9.0804 126.5518 54.0339 31.4607 171.3701 43 E 4.5498 9.3677 122.6359 55.4382 30.4304 177.0268 44 L 4.1628 8.7910 125.6331 56.8764 42.8326 177.0661 45 A 4.4790 7.0632 116.8012 51.3783 22.3414 175.4680 46 T 5.1997 8.4429 115.2538 61.7587 72.6760 173.7315 47 K 4.6870 9.0167 123.2696 54.7761 36.3336 174.8480 48 M 4.9929 8.6476 123.0222 53.6327 34.9498 174.4394 49 L 4.8114 8.8060 125.2939 52.8784 45.7292 175.0510 50 Q 5.0445 8.7357 124.0677 54.4850 30.9572 174.7704 51 I 4.4057 8.8046 127.3722 60.7004 40.6076 175.6036 52 Q 3.1015 9.8624 128.7639 57.1177 27.0113 174.4485 53 S 3.9880 8.0447 109.4595 58.5294 62.7578 170.5754 54 K 4.6641 8.2183 120.9140 55.0942 35.1114 175.1485 55 R 5.0390 8.0841 119.5542 54.5150 33.3244 175.2280 56 F 5.3465 9.2021 120.9512 55.9200 42.9762 173.4851 57 Y 4.9922 9.1693 120.6982 56.1982 40.7219 174.6465 58 L 5.0013 9.1307 125.0103 53.3463 43.9938 175.0705 59 D 5.2758 8.9183 125.2133 52.3020 43.5783 175.9146 60 V 4.1712 8.3157 124.6318 62.2232 32.6534 175.0697 61 K 4.8623 8.5547 126.6255 54.6291 36.9494 174.9779 62 Q 4.9770 8.7150 122.1488 55.0299 32.8163 173.8536 63 N 4.8098 8.9176 121.8858 52.0118 40.0975 174.7570 64 R 4.0571 8.6930 115.7769 58.8427 30.1657 177.4040 65 R 4.3260 8.0110 116.0963 55.7908 30.5372 176.2231 66 G 3.9029 8.5280 106.5875 44.4280 0.0000 172.2994 67 R 5.1046 8.1165 118.4386 55.3489 31.5652 175.4512 68 F 5.1090 8.6322 119.0403 56.3423 42.2165 172.5043 69 I 4.8517 9.1972 120.6394 59.5355 39.2348 174.8925 70 K 4.6057 9.0168 129.5430 55.2039 34.0049 175.2735 71 V 4.9288 8.7876 127.4540 61.2806 33.8984 173.7451 72 A 5.1699 9.1507 130.5681 50.1818 21.6194 174.5712 73 E 4.5528 9.6151 123.6893 54.2371 32.7682 174.5579 74 I 4.6212 8.3286 127.9601 59.3490 39.4345 176.1921 75 G 3.9749 8.9564 116.7702 44.6117 0.0000 174.1348 76 A 4.0928 8.4229 122.3994 54.5544 18.3803 178.2745 77 D 4.5747 8.0314 112.6990 53.2354 40.0109 177.3324 78 G 3.9112 8.0622 109.3523 44.9116 0.0000 174.0578 79 R 3.9341 8.1357 121.3067 57.0154 30.9677 175.3330 80 R 5.1825 8.5026 125.2862 55.0005 31.8970 175.6184 81 S 4.7685 8.6867 116.5705 57.7795 66.8868 172.8899 82 Q 5.2921 8.4604 118.1691 54.6423 32.8671 173.8784 83 I 5.0285 8.7647 114.2172 59.5933 41.8080 173.5011 84 Y 5.3708 9.4924 119.5574 56.3332 41.5308 175.2482 85 L 4.9852 9.3280 122.6878 52.6072 45.7699 176.5529 86 A 4.5425 8.7445 125.6931 51.8860 19.5120 178.4429 87 L 4.1526 8.5858 120.0408 57.6736 41.7331 180.3091 88 S 4.1835 8.0502 114.1359 61.7536 63.1086 176.4694 89 T 3.8319 7.9486 118.8311 66.1816 68.1402 176.1981 90 A 4.1479 8.2232 122.4515 55.1689 18.5091 179.5594 91 A 3.9652 8.0048 118.9125 55.2236 18.4874 179.4136 92 E 3.8796 8.1061 117.4218 59.3524 29.7280 178.8816 93 F 4.5186 8.5764 121.0121 61.3994 39.2823 176.7030 94 R 3.7616 8.1355 117.4768 59.8106 29.5492 177.7662 95 D 4.4998 7.9818 117.7219 57.8167 40.8093 178.4327 96 H 4.4163 8.3651 116.6368 59.0633 28.7141 177.8335 97 L 4.1959 8.1055 120.7384 57.7544 41.4683 179.7023 98 S 4.1652 7.8156 114.2113 61.6936 62.8123 176.7350 99 S 4.1245 8.0555 115.2596 61.4588 62.1859 176.0032 100 F 4.1576 8.7780 121.0123 60.3748 38.5260 177.6090 101 S 4.3166 8.4795 112.9266 61.6922 62.0534 175.8610 102 D 4.3922 7.8540 119.7958 57.5253 40.8566 178.0774 103 Y 4.1518 8.1140 119.8072 60.8971 38.7650 177.0949 104 Y 4.2872 8.6059 120.6216 61.0765 38.6527 178.1879 105 A 3.7196 8.0412 119.6136 53.9064 18.5508 178.7075 106 S 4.2948 7.4863 111.1255 59.2094 63.6341 175.4911 107 L 3.7262 7.2833 123.0393 55.9365 41.5638 178.5648 108 G 3.8552 7.7758 106.9833 43.4873 0.0000 170.9491 109 P 4.4119 0.0000 0.0000 61.5735 31.8284 174.1548 110 P 4.6297 0.0000 0.0000 63.3631 33.0448 176.5227 111 N 4.4323 7.7071 123.5980 54.1508 44.6666 177.0904 *114 N 4.5288 8.7509 106.4122 53.1247 38.8555 173.7948 115 L 4.5672 7.7309 128.4893 53.7162 42.1873 174.8114 116 P 4.6523 0.0000 0.0000 62.8977 32.6027 175.4891 117 E 4.3965 7.8398 118.7876 54.8804 31.0718 175.5694 *119 G 3.6916 8.3197 109.8741 45.3121 0.0000 172.6415 120 K 4.2567 8.5156 124.2247 56.0758 33.0293 176.8557 121 L 4.4652 8.4318 123.2697 56.7465 42.8866 177.0985 122 K 4.2327 7.4914 116.2159 55.6101 35.2919 174.2938 123 S 5.4126 8.5465 121.1518 57.1755 67.0385 172.8270 124 E 4.8947 9.6010 121.7772 55.0558 34.4696 173.9476 125 M 5.1581 8.4976 119.3735 54.3112 35.4884 173.9670 126 M 4.9595 9.3117 124.7940 53.5819 35.8768 174.6301 127 I 4.9057 8.2992 121.4959 59.6157 40.7234 175.8285 128 K 4.3790 9.2404 127.8799 55.7412 34.7168 178.1022 129 D 4.2350 8.6967 129.9112 55.7286 39.7829 175.0459 130 Y 4.2766 9.2028 128.9451 58.9803 38.9383 174.2826 131 R 4.8851 8.2017 121.2979 54.6550 32.1326 175.5159 132 R 4.8979 8.6645 123.0755 54.4529 33.5456 174.6771 133 Y 4.9620 8.9186 120.0559 56.5039 41.4099 174.0495 134 Y 4.9262 8.9644 123.3201 56.6401 40.0361 174.9606 135 L 4.8559 8.9501 125.7689 53.4752 43.2600 175.4775 136 D 5.2265 8.7767 125.4677 51.9285 43.6372 175.7885 137 L 4.2951 8.8032 127.5596 55.3412 43.1509 175.9635 138 K 4.9337 8.4677 126.8492 54.4378 35.8493 174.5971 139 E 5.2437 8.2424 120.2054 55.4620 33.0151 174.5586 140 N 4.9153 9.2337 121.2783 52.0394 39.9298 174.2427 141 A 4.0100 8.8710 119.5197 55.5042 18.4197 178.6835 142 R 4.2768 8.9798 113.1720 56.3822 31.1803 176.1189 143 G 3.8126 6.7219 103.4640 45.2040 0.0000 171.9814 144 R 5.1500 8.4727 119.3067 55.0408 32.4793 175.7165 145 F 5.3260 8.4417 116.6162 55.4541 42.0820 173.3251 146 L 4.6073 9.1405 124.0726 53.8101 42.8371 175.4317 147 R 4.7369 8.7580 129.1172 56.0542 31.5527 175.3620 148 V 4.7774 9.0596 126.6335 60.1913 33.9108 174.5112 149 S 5.2848 9.0480 122.4026 56.6220 65.4689 172.9071 150 Q 4.8247 9.4226 126.9253 54.4715 31.0339 174.2468 151 T 4.8774 8.5976 116.3000 59.9423 72.5370 172.8634 152 I 4.8061 7.9777 125.4681 59.6917 38.5808 175.6114 153 T 4.2322 8.4143 118.0732 61.5692 69.8774 173.8980 154 R 3.7751 9.3310 117.6824 58.2865 27.1423 177.3207 155 G 3.9903 8.6176 104.2024 45.4007 0.0000 174.9492 156 G 3.8896 7.7307 109.2719 43.8008 0.0000 171.4701 157 P 4.6249 0.0000 0.0000 62.6239 32.5323 175.6889 158 R 4.9815 8.0488 117.7896 55.0050 32.3398 174.6297 159 S 4.7961 8.5706 113.6224 58.3795 66.6695 174.2044 160 Q 5.8016 8.8694 117.2292 54.9153 31.4627 173.6077 161 I 4.9113 8.4760 112.4718 59.1266 41.6234 174.1893 162 A 5.0953 9.7215 125.2448 50.3249 20.9821 175.7014 163 L 4.3818 8.8615 125.6600 53.7277 43.3750 174.2300 164 P 4.6920 0.0000 0.0000 63.0822 32.0032 177.4639 165 A 3.6485 9.0183 126.6881 55.2239 17.9473 179.9442 166 Q 4.2222 7.9785 114.5656 58.6448 28.6817 178.0706 167 G 3.9506 7.8834 106.3711 44.8871 0.0000 175.2315 168 M 3.9491 7.8203 122.4205 58.4298 31.8886 178.6862 169 I 3.7573 7.7175 119.3921 64.3696 37.2693 178.2063 170 E 3.9475 8.1083 119.0234 59.1941 29.2823 179.0143 171 F 3.7349 8.3541 120.7632 61.1282 39.4377 176.7663 172 R 3.8234 8.2953 118.8001 59.9034 29.9155 178.0484 173 D 4.2888 8.4327 118.3793 57.1854 40.7820 178.5653 174 A 3.9149 8.0737 121.3759 55.2217 18.3010 179.6659 175 L 3.8599 7.9284 117.5032 58.2656 41.7077 179.8071 176 T 3.8751 8.0912 116.0084 66.5592 67.8901 175.9720 177 D 4.5144 8.0027 119.8379 55.3619 39.9343 178.7420 178 L 4.1693 7.8625 120.9361 57.8973 41.6625 179.3729 179 L 4.0835 8.3862 119.3607 57.6884 41.3003 179.1469 180 E 3.9180 8.0674 118.5504 59.2851 29.6268 178.3755 181 E 3.9135 7.6319 116.8563 58.0129 29.6158 177.4657 182 F 4.8799 7.9575 113.4241 56.6281 40.8771 175.1432 183 G 3.7937 8.1412 115.8782 45.6457 0.0000 173.5858 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 41 E 8.43 4.67 0.00 2.06 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 2.25 2.46 0.00 42 Q 9.08 4.52 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 43 E 9.37 4.55 0.00 1.79 1.85 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 2.19 2.31 0.00 44 L 8.79 4.16 0.00 1.12 0.80 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.06 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.44 5.20 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 1.41 0.00 0.00 47 K 9.02 4.69 0.00 1.52 1.55 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.42 7.81 48 M 8.65 4.99 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.75 0.00 49 L 8.81 4.81 0.00 1.65 1.55 0.83 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 50 Q 8.74 5.04 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 51 I 8.80 4.41 2.13 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.96 0.00 0.00 52 Q 9.86 3.10 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 5.94 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 53 S 8.04 3.99 0.00 4.19 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 54 K 8.22 4.66 0.00 1.62 1.67 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.55 7.81 55 R 8.08 5.04 0.00 1.66 1.50 0.00 3.12 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 56 F 9.20 5.35 0.00 2.87 3.02 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 57 Y 9.17 4.99 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 58 L 9.13 5.00 0.00 1.45 1.48 0.54 0.06 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 59 D 8.92 5.28 0.00 2.53 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 4.17 1.67 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 0.55 0.00 0.00 0.82 0.00 0.00 61 K 8.55 4.86 0.00 0.79 1.19 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 1.26 7.81 62 Q 8.72 4.98 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 63 N 8.92 4.81 0.00 2.99 3.00 0.00 0.00 6.69 7.14 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 64 R 8.69 4.06 0.00 1.84 2.04 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 65 R 8.01 4.33 0.00 1.76 1.89 0.00 3.10 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 66 G 8.53 3.90 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 0.00 0.00 0.00 67 R 8.12 5.10 0.00 1.88 1.89 0.00 3.33 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 68 F 8.63 5.11 0.00 3.46 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.20 4.85 1.97 0.00 0.00 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 1.10 0.83 0.95 0.00 0.00 70 K 9.02 4.61 0.00 1.99 1.68 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 0.60 7.81 71 V 8.79 4.93 2.27 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 1.50 0.00 0.00 1.18 0.00 0.00 72 A 9.15 5.17 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 73 E 9.62 4.55 0.00 1.93 1.73 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 1.92 1.47 0.00 74 I 8.33 4.62 1.81 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 1.29 1.24 0.88 0.00 0.00 75 G 8.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.42 4.09 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 77 D 8.03 4.57 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 78 G 8.06 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 79 R 8.14 3.93 0.00 2.20 1.79 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 80 R 8.50 5.18 0.00 1.72 1.82 0.00 3.26 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 81 S 8.69 4.77 0.00 3.93 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 82 Q 8.46 5.29 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 83 I 8.76 5.03 2.20 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 1.00 0.00 0.00 84 Y 9.49 5.37 0.00 2.85 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 85 L 9.33 4.99 0.00 1.63 1.51 1.11 0.14 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 86 A 8.74 4.54 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 87 L 8.59 4.15 0.00 1.81 1.79 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.05 4.18 0.00 4.07 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 0.00 89 T 7.95 3.83 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 0.73 0.00 0.00 90 A 8.22 4.15 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 0.00 0.00 0.00 0.00 0.00 91 A 8.00 3.97 1.42 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 0.00 0.00 92 E 8.11 3.88 0.00 2.25 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 0.00 2.35 2.32 0.00 93 F 8.58 4.52 0.00 3.04 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.14 3.76 0.00 1.95 2.19 0.00 3.47 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 1.72 1.83 0.00 95 D 7.98 4.50 0.00 2.89 2.67 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 0.00 0.00 0.00 0.00 96 H 8.37 4.42 0.00 3.66 3.79 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.11 4.20 0.00 1.79 1.65 0.34 0.37 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 98 S 7.82 4.17 0.00 4.08 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 99 S 8.06 4.12 0.00 3.87 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.78 4.16 0.00 3.12 3.10 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 0.00 101 S 8.48 4.32 0.00 4.04 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 0.00 102 D 7.85 4.39 0.00 2.93 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 0.00 103 Y 8.11 4.15 0.00 3.06 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 0.00 104 Y 8.61 4.29 0.00 3.15 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 0.00 105 A 8.04 3.72 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 0.00 106 S 7.49 4.29 0.00 3.94 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 0.00 107 L 7.28 3.73 0.00 1.57 1.67 1.01 0.93 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 0.00 108 G 7.78 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 0.00 109 P 0.00 4.41 0.00 2.19 2.06 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 110 P 0.00 4.63 0.00 2.08 2.08 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 111 N 7.71 4.43 0.00 2.64 1.80 0.00 0.00 6.92 7.79 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 *114 N 8.75 4.53 0.00 3.00 2.83 0.00 0.00 6.63 7.85 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 0.00 115 L 7.73 4.57 0.00 1.62 1.64 0.97 1.06 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 0.00 116 P 0.00 4.65 0.00 2.22 2.15 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 117 E 7.84 4.40 0.00 1.99 1.92 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 2.26 2.30 0.00 *119 G 8.32 3.69 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 0.00 0.00 0.00 120 K 8.52 4.26 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 121 L 8.43 4.47 0.00 1.82 1.98 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.49 4.23 0.00 0.95 1.49 0.00 0.77 0.00 0.00 1.15 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.91 7.81 123 S 8.55 5.41 0.00 3.74 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 0.00 124 E 9.60 4.89 0.00 1.88 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 0.00 2.20 2.19 0.00 125 M 8.50 5.16 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.31 0.00 126 M 9.31 4.96 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 127 I 8.30 4.91 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.87 0.00 0.00 128 K 9.24 4.38 0.00 1.87 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.54 7.81 129 D 8.70 4.23 0.00 3.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 9.20 4.28 0.00 2.97 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 0.00 131 R 8.20 4.89 0.00 1.90 1.48 0.00 3.14 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 132 R 8.66 4.90 0.00 1.44 1.24 0.00 3.07 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 133 Y 8.92 4.96 0.00 2.59 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 0.00 134 Y 8.96 4.93 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.95 4.86 0.00 1.67 1.35 1.06 0.40 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 0.00 136 D 8.78 5.23 0.00 2.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.80 4.30 0.00 2.00 1.74 0.88 0.98 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 0.00 138 K 8.47 4.93 0.00 0.79 1.15 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.16 7.81 139 E 8.24 5.24 0.00 1.90 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 2.24 2.34 0.00 140 N 9.23 4.92 0.00 2.98 3.10 0.00 0.00 6.81 8.61 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 0.00 141 A 8.87 4.01 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 0.00 142 R 8.98 4.28 0.00 1.78 1.96 0.00 3.21 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 143 G 6.72 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 0.00 144 R 8.47 5.15 0.00 1.86 1.85 0.00 3.29 0.00 0.00 3.66 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 145 F 8.44 5.33 0.00 3.17 3.06 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 0.00 146 L 9.14 4.61 0.00 1.47 1.41 0.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.76 4.74 0.00 2.08 1.82 0.00 3.17 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 148 V 9.06 4.78 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 0.66 0.00 0.00 0.75 0.00 0.00 149 S 9.05 5.28 0.00 3.98 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 0.00 150 Q 9.42 4.82 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.05 1.46 0.00 151 T 8.60 4.88 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 1.34 0.00 0.00 152 I 7.98 4.81 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.90 0.00 0.00 153 T 8.41 4.23 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 1.26 0.00 0.00 154 R 9.33 3.78 0.00 2.30 2.11 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 155 G 8.62 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.73 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 0.00 157 P 0.00 4.62 0.00 2.12 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 158 R 8.05 4.98 0.00 1.82 1.94 0.00 3.08 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 159 S 8.57 4.80 0.00 3.93 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 0.00 160 Q 8.87 5.80 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 161 I 8.48 4.91 2.25 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 1.36 1.38 1.04 0.00 0.00 162 A 9.72 5.10 1.10 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 0.00 0.00 163 L 8.86 4.38 0.00 1.60 1.55 0.60 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.69 0.00 2.14 2.02 0.00 3.78 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 165 A 9.02 3.65 0.63 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 0.00 0.00 166 Q 7.98 4.22 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 167 G 7.88 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 0.00 0.00 0.00 168 M 7.82 3.95 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 169 I 7.72 3.76 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.04 0.93 0.00 0.00 170 E 8.11 3.95 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 2.41 2.31 0.00 171 F 8.35 3.73 0.00 3.02 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 0.00 172 R 8.30 3.82 0.00 1.93 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 173 D 8.43 4.29 0.00 2.67 2.67 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 0.00 0.00 0.00 0.00 174 A 8.07 3.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.93 3.86 0.00 1.96 1.69 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 176 T 8.09 3.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 177 D 8.00 4.51 0.00 2.88 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 0.00 178 L 7.86 4.17 0.00 1.76 1.84 0.86 0.64 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 0.00 179 L 8.39 4.08 0.00 1.81 1.74 0.99 0.72 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 0.00 180 E 8.07 3.92 0.00 2.14 1.93 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 2.30 2.47 0.00 181 E 7.63 3.91 0.00 1.81 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 2.18 2.22 0.00 182 F 7.96 4.88 0.00 3.13 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 0.00 183 G 8.14 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.