NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3951 8.3344 115.4123 57.9992 64.5684 172.9566 3 N 4.3595 8.1602 119.7855 52.8382 40.0564 174.2382 *5 Q 4.1905 8.6495 120.8911 55.9078 31.9488 177.1699 6 L 3.9922 8.4038 119.1480 58.2548 41.9937 178.7350 7 D 4.3844 8.2647 118.8317 57.6542 40.7416 178.9289 8 T 3.8658 7.8496 115.6556 66.4872 68.5135 176.1324 9 L 4.1620 8.1395 122.2170 58.3515 42.1207 178.8852 10 R 3.9016 8.3764 118.9518 59.4597 29.9632 178.3211 11 R 3.8836 8.1978 118.4354 59.5909 30.0151 178.6393 12 I 3.7182 7.8406 119.5668 64.3420 37.0570 178.4893 13 V 4.0721 8.1099 120.8743 65.6675 31.3303 178.1630 14 Q 3.9956 8.3120 117.8495 58.7996 28.3172 178.2492 15 E 3.9305 7.9648 119.5591 59.2773 30.0725 178.6133 16 I 3.8181 8.0949 120.3132 64.3983 36.9396 177.9337 17 N 4.3426 8.3746 117.2263 56.1877 38.8214 176.0941 18 S 4.6224 7.6159 113.8142 57.3840 63.4891 174.4493 19 S 4.4523 7.0917 116.8579 58.0649 63.6541 174.7746 20 V 4.0220 8.1693 114.3401 62.6970 32.2888 176.6969 21 S 4.6695 7.4649 113.6630 55.3906 67.0874 174.4430 22 L 3.8796 8.4706 123.9551 58.7254 41.8320 178.4680 23 H 4.0746 8.2544 117.4381 59.6183 29.6451 176.6602 24 D 4.2246 8.2097 120.4055 57.3441 40.3950 178.8630 25 S 4.0736 7.8857 114.6272 61.6764 62.9323 176.5178 26 L 4.0670 7.7010 120.2630 57.7185 41.7625 178.8233 27 D 4.4359 8.0153 117.9364 57.2241 41.0526 179.0603 28 I 3.6902 7.7004 117.2516 62.2565 36.9285 178.1937 *30 V 3.9738 7.7550 115.7092 61.6125 33.6726 177.8352 31 N 4.3473 8.0672 116.7557 56.4263 38.2833 177.6421 32 Q 4.0479 8.3635 119.7564 58.6906 28.5287 178.8749 33 V 3.7462 7.7251 117.9412 66.0588 31.8863 177.4230 34 A 4.1038 7.9791 120.5304 55.2168 17.9553 179.1650 35 D 4.3144 7.9769 115.4945 57.2105 41.3580 178.0922 36 A 4.0984 7.8180 116.9571 52.5615 19.2803 178.2147 *38 K 4.1455 7.7258 117.2664 57.8385 33.0337 175.4882 39 V 4.7561 7.4361 111.5450 59.3680 35.0890 176.6606 40 D 4.6249 9.1199 122.4026 57.0873 41.3453 177.4932 41 V 4.6582 7.9623 117.5839 61.1891 35.3750 173.8233 42 C 5.1477 9.0593 127.1261 57.8624 34.6636 172.8076 43 S 5.0883 9.2677 121.4345 56.7052 67.3281 172.6838 44 I 4.9188 8.2371 121.5978 59.5092 40.5932 173.9797 45 Y 4.8800 9.0429 126.9854 56.3357 40.2948 174.7220 46 L 5.1267 8.8177 124.2105 52.6766 44.8164 175.6260 47 L 4.2490 8.7251 124.7210 55.3443 43.0269 175.9776 48 D 4.7032 9.2495 127.9627 52.7750 40.9741 176.3156 49 E 3.9925 8.7231 127.1839 58.3845 30.3222 178.0554 50 R 3.9894 8.2420 118.3586 59.0643 30.1489 176.6035 51 N 4.6375 8.0914 111.6627 52.2407 39.4178 174.7437 52 Q 3.2999 7.5796 116.7559 55.9556 26.8890 172.4043 53 R 4.6286 6.9509 112.4339 55.5590 33.6475 174.7306 54 Y 5.1139 9.0976 118.2030 56.8656 39.8175 174.5276 55 L 5.1351 9.0136 126.2932 52.9281 44.9738 175.6880 56 L 4.0418 8.9381 128.0127 54.9630 43.6174 175.4136 *58 A 4.3746 8.3340 123.3800 52.2444 20.2833 175.4990 59 S 4.8289 8.2829 112.4516 57.0957 65.8342 173.5123 60 K 4.2592 8.9243 128.9986 56.7514 32.9225 175.8136 61 G 4.0458 9.1925 117.0777 46.2138 0.0000 173.8854 62 L 4.3308 7.3245 118.0440 53.5350 42.5508 176.1832 63 N 4.4444 8.5581 119.0136 53.1070 39.5609 174.1186 64 P 4.2535 0.0000 0.0000 65.5152 31.7460 178.2019 65 E 4.0427 8.4653 117.3150 59.5089 29.7029 178.7698 66 S 4.2726 8.3598 115.0446 60.8801 63.1580 174.6379 67 V 3.8011 7.4617 120.9620 63.9529 31.3924 176.2993 68 G 3.9115 9.6712 116.2857 46.0089 0.0000 173.3187 69 H 4.8991 8.3283 113.0864 54.9096 31.6011 172.9089 70 V 4.6791 7.8149 120.8003 61.0378 33.8745 174.3961 71 S 5.4746 8.7889 120.9246 56.7524 66.7766 172.9660 72 L 5.0833 8.9672 119.6614 52.9503 45.6953 176.9486 73 Q 4.4654 9.6032 121.9270 55.4423 29.4242 177.5985 74 L 4.0809 8.4373 119.6927 57.3592 41.7554 178.5019 75 S 4.6361 7.9860 110.8415 57.7138 63.4440 172.9169 76 E 4.1691 8.3463 123.6046 55.9657 30.1634 177.1535 77 G 4.2666 8.6887 117.1076 45.5445 0.0000 173.0504 78 L 3.8278 8.0703 117.6048 57.6328 41.3640 179.6917 79 V 3.6575 7.6503 117.9474 65.9476 31.4615 178.0914 80 G 3.7414 8.0622 105.4505 47.8175 0.0000 175.3926 81 L 4.1550 7.9221 122.6150 57.7977 42.0953 179.1203 82 V 3.7199 8.0027 118.4701 66.0789 31.2448 178.3420 83 G 3.9535 7.7040 105.4354 47.3548 0.0000 175.5230 84 Q 4.2011 8.3323 119.9704 58.8749 28.9209 178.6129 85 R 4.0745 8.3672 117.5172 56.3250 30.8526 176.2124 86 E 3.9034 8.2161 117.2116 57.5629 27.4746 174.0123 87 E 4.8649 7.7743 114.8454 54.1596 33.9974 177.0147 88 I 3.9818 8.5233 123.1975 61.8687 38.1427 175.8249 89 V 4.2394 8.9593 126.4493 61.4243 33.6608 173.8452 90 N 5.2215 8.9442 127.8440 51.9225 40.1748 173.0350 91 L 4.6150 9.1453 127.2972 52.8841 43.4297 177.0648 92 E 4.5274 9.0630 126.0408 58.2447 30.9382 175.6229 93 N 4.8973 8.1779 119.9726 51.2529 39.5496 173.8317 94 A 4.2637 9.2920 127.1150 53.1346 18.8413 178.7991 95 S 4.0799 8.1392 113.1728 61.3242 62.7386 176.5907 96 K 4.1846 7.5888 120.0186 58.1798 31.6968 177.2449 97 H 4.9225 7.7496 115.1505 55.3313 29.8290 174.4552 98 E 3.9992 8.1535 123.8573 58.9943 29.7622 179.0357 99 R 3.5308 7.9819 118.0716 58.5618 30.0542 177.0641 100 F 4.1922 7.6012 113.7667 56.8701 39.8866 176.3775 101 A 3.9193 7.6596 126.3917 53.7585 18.7293 178.4174 102 Y 4.0349 7.2195 112.8510 59.0273 35.4947 172.0530 103 L 4.3736 7.4886 118.9615 53.8808 44.4710 176.7265 104 P 4.6077 0.0000 0.0000 63.2520 30.4806 179.5268 *107 G 3.9397 8.8214 105.7303 45.4344 0.0000 172.5611 108 E 4.0811 8.8601 118.2810 59.1740 29.9074 177.6793 109 E 3.8557 7.9945 116.7784 56.4015 29.8524 175.8226 110 I 4.1980 7.8067 121.4224 59.1531 40.1098 173.5589 111 Y 4.9431 8.4249 124.7930 56.5647 39.7818 175.0005 112 N 5.0116 9.1703 121.8927 53.1658 39.9676 174.8719 113 S 5.3000 8.3702 114.0869 56.5330 66.7595 172.9508 114 F 4.9490 9.1567 123.8388 56.6443 43.0179 172.8726 115 L 4.9584 8.6364 127.8891 53.3645 44.7121 174.8136 116 G 4.2447 8.8648 114.6022 44.1667 0.0000 171.1262 117 V 4.8419 8.6200 124.2225 60.1129 34.6017 172.9461 118 P 4.7289 0.0000 0.0000 62.8030 32.2003 175.7767 119 V 4.2413 8.6283 122.1478 61.4798 34.5085 174.0465 *121 Y 4.2295 8.1124 124.5040 58.5655 39.7011 175.0718 122 R 3.4856 8.8701 127.8953 57.5075 28.4446 176.5330 123 R 3.9124 7.9739 111.9320 56.3042 28.3890 176.3220 124 K 4.5145 7.9968 119.6450 54.3267 33.8303 176.1590 125 V 4.2381 7.5752 124.7073 61.8486 32.5508 174.4054 *127 G 4.0850 8.0709 108.6706 46.2247 0.0000 171.3665 128 V 4.8928 8.7238 118.5822 61.0930 35.0274 174.0437 129 L 4.8749 8.8944 130.3305 53.8792 43.9271 175.1146 130 V 4.5067 8.9277 126.0053 60.9431 34.6254 174.0018 131 V 4.7143 8.4571 127.9849 61.2174 33.8370 174.3238 132 Q 5.2438 8.7847 125.5917 53.1875 33.2742 174.0033 133 N 5.4986 8.7963 117.8512 51.6395 43.2402 175.7166 134 K 4.3212 9.9063 121.7152 59.2818 32.9259 177.5181 135 Q 4.7984 7.9734 116.3715 53.7919 30.5017 173.9897 136 P 4.7288 0.0000 0.0000 63.3722 32.3264 176.2310 137 Q 4.1576 8.7201 120.9759 54.2768 32.7324 173.6798 138 D 4.4898 8.2554 122.0526 52.7525 41.3138 175.2141 139 F 4.8158 8.3047 126.0118 56.0653 40.6723 177.1145 140 S 4.6140 8.4849 120.4724 57.4596 65.7925 174.9187 141 E 4.0278 8.6951 119.8996 59.3060 28.9169 179.3610 142 A 3.9937 8.0044 120.5281 55.1179 18.4518 179.5170 143 A 3.9719 7.9956 118.7264 55.3286 18.5412 179.4807 144 E 3.9351 8.1946 117.0252 59.7655 29.5642 179.8073 145 S 4.1649 8.4590 115.4644 61.4251 62.8800 176.3630 146 F 4.2372 8.5441 123.5689 61.5840 39.0587 177.2861 147 L 3.6924 8.1581 118.4261 57.5544 41.3934 179.4761 148 V 3.5548 8.1976 118.6486 66.4426 31.3956 178.2917 149 T 3.8475 7.8619 115.2255 66.6280 68.2961 176.7564 150 L 3.8672 7.6560 120.8845 57.9796 41.5130 179.4088 151 C 4.0960 8.4059 116.8581 62.6931 26.9756 176.0481 152 A 4.0098 8.1755 122.5285 54.9266 17.7430 179.5400 153 Q 4.0428 8.0391 118.2704 59.4605 29.1827 178.5124 154 L 4.1274 8.1233 120.1292 57.3663 41.4572 179.4398 155 S 4.2875 8.2862 115.0315 61.6369 62.6773 176.9423 156 G 3.3802 7.7547 109.5154 46.9523 0.0000 175.9134 157 V 3.5699 7.3766 119.1584 65.9609 31.4655 178.2805 158 I 3.6292 8.1375 119.5506 64.3174 37.0207 178.0904 159 A 3.8102 7.9009 121.8721 55.4774 17.9982 179.1247 160 H 4.0044 8.3763 116.6284 59.2957 29.6963 177.2641 161 A 3.8933 7.7719 121.3827 55.4474 18.3518 178.9734 162 H 4.1839 8.3282 114.4930 59.1103 28.6215 178.0076 163 A 4.0891 7.9049 120.8343 54.0329 18.2259 179.0020 164 V 4.2910 7.4089 108.5418 62.9805 32.7290 177.4458 165 G 4.0093 7.6507 108.9850 43.3082 0.0000 173.4614 166 N 4.4447 8.1821 119.6076 53.7907 39.1961 175.6083 167 I 4.1610 7.9926 122.8784 59.9291 35.9425 175.8865 168 D 4.5058 8.0708 123.0027 53.1490 39.3780 176.5870 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 2 S 8.33 4.40 0.00 3.99 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 3 N 8.16 4.36 0.00 2.83 2.71 0.00 0.00 6.90 6.31 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 *5 Q 8.65 4.19 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 6 L 8.40 3.99 0.00 1.85 1.91 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.26 4.38 0.00 2.74 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 8 T 7.85 3.87 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 1.22 0.00 0.00 9 L 8.14 4.16 0.00 2.04 1.98 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.38 3.90 0.00 1.97 2.10 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 11 R 8.20 3.88 0.00 2.02 2.12 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 1.64 1.69 0.00 12 I 7.84 3.72 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.88 0.00 0.00 13 V 8.11 4.07 2.26 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 1.52 0.00 0.00 0.94 0.00 0.00 14 Q 8.31 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 15 E 7.96 3.93 0.00 2.08 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 2.34 0.00 16 I 8.09 3.82 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.87 0.00 0.00 17 N 8.37 4.34 0.00 2.77 2.99 0.00 0.00 7.23 7.19 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 18 S 7.62 4.62 0.00 3.90 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 19 S 7.09 4.45 0.00 3.99 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 20 V 8.17 4.02 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 0.75 0.00 0.00 0.97 0.00 0.00 21 S 7.46 4.67 0.00 3.99 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 22 L 8.47 3.88 0.00 1.75 1.69 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.25 4.07 0.00 3.27 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.21 4.22 0.00 2.85 2.66 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 0.00 0.00 0.00 0.00 25 S 7.89 4.07 0.00 3.95 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 26 L 7.70 4.07 0.00 1.68 1.67 0.89 0.90 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 27 D 8.02 4.44 0.00 2.67 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 28 I 7.70 3.69 1.98 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 1.49 0.52 0.93 0.00 0.00 *30 V 7.75 3.97 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 0.70 0.00 0.00 0.95 0.00 0.00 31 N 8.07 4.35 0.00 2.88 2.84 0.00 0.00 7.03 6.80 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 32 Q 8.36 4.05 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 33 V 7.73 3.75 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 0.86 0.00 0.00 0.78 0.00 0.00 34 A 7.98 4.10 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 35 D 7.98 4.31 0.00 2.77 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 36 A 7.82 4.10 1.28 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 0.00 0.00 0.00 *38 K 7.73 4.15 0.00 1.81 1.87 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 39 V 7.44 4.76 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 0.66 0.00 0.00 0.86 0.00 0.00 40 D 9.12 4.62 0.00 2.82 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 41 V 7.96 4.66 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 0.89 0.00 0.00 0.63 0.00 0.00 42 C 9.06 5.15 0.00 2.91 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 43 S 9.27 5.09 0.00 3.66 3.34 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 44 I 8.24 4.92 1.80 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 0.75 0.88 0.00 0.00 45 Y 9.04 4.88 0.00 2.92 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 46 L 8.82 5.13 0.00 1.64 1.62 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.73 4.25 0.00 1.77 1.60 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 48 D 9.25 4.70 0.00 2.72 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 49 E 8.72 3.99 0.00 1.93 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 2.25 2.24 0.00 50 R 8.24 3.99 0.00 1.88 1.94 0.00 3.42 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 51 N 8.09 4.64 0.00 2.85 2.82 0.00 0.00 7.24 8.44 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 52 Q 7.58 3.30 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 53 R 6.95 4.63 0.00 2.00 1.97 0.00 2.99 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 54 Y 9.10 5.11 0.00 2.89 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 55 L 9.01 5.14 0.00 1.78 1.55 1.07 0.29 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 56 L 8.94 4.04 0.00 1.73 1.56 0.37 1.30 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 *58 A 8.33 4.37 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 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0.00 0.00 0.00 0.00 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 E 8.35 4.17 0.00 2.01 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 2.42 2.14 0.00 77 G 8.69 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 0.00 0.00 0.00 78 L 8.07 3.83 0.00 0.92 0.79 0.26 0.60 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 79 V 7.65 3.66 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 0.43 0.00 0.00 0.69 0.00 0.00 80 G 8.06 3.74 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 0.00 0.00 0.00 81 L 7.92 4.16 0.00 1.91 1.82 0.93 0.75 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 82 V 8.00 3.72 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 1.04 0.00 0.00 1.17 0.00 0.00 83 G 7.70 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 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0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 138 D 8.26 4.49 0.00 2.70 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 0.00 139 F 8.30 4.82 0.00 3.13 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 0.00 140 S 8.48 4.61 0.00 4.08 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 0.00 141 E 8.70 4.03 0.00 2.02 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 2.43 2.34 0.00 142 A 8.00 3.99 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 0.00 143 A 8.00 3.97 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 0.00 144 E 8.19 3.94 0.00 2.24 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 2.36 2.58 0.00 145 S 8.46 4.16 0.00 4.03 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 0.00 146 F 8.54 4.24 0.00 3.01 3.28 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 0.00 147 L 8.16 3.69 0.00 1.82 1.60 0.82 0.61 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 0.00 148 V 8.20 3.55 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 1.03 0.00 0.00 0.96 0.00 0.00 149 T 7.86 3.85 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 150 L 7.66 3.87 0.00 1.37 1.49 -0.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.41 4.10 0.00 3.09 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 0.00 152 A 8.18 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 0.00 153 Q 8.04 4.04 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 154 L 8.12 4.13 0.00 1.83 1.68 0.86 0.65 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 0.00 155 S 8.29 4.29 0.00 4.21 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 0.00 156 G 7.75 3.38 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 0.00 157 V 7.38 3.57 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 1.00 0.00 0.00 0.94 0.00 0.00 158 I 8.14 3.63 1.98 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 1.44 0.48 0.94 0.00 0.00 159 A 7.90 3.81 0.43 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 0.00 160 H 8.38 4.00 0.00 3.16 3.46 0.00 5.60 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 0.00 161 A 7.77 3.89 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 0.00 162 H 8.33 4.18 0.00 3.30 3.30 0.00 5.62 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 0.00 163 A 7.90 4.09 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 0.00 164 V 7.41 4.29 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 0.66 0.00 0.00 0.79 0.00 0.00 165 G 7.65 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 0.00 166 N 8.18 4.44 0.00 2.71 2.77 0.00 0.00 6.76 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 I 7.99 4.16 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 1.46 0.48 0.91 0.00 0.00 168 D 8.07 4.51 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.