NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7136 8.2714 118.2138 52.4105 38.9954 174.7013 12 G 3.4461 8.4381 103.9562 46.9827 0.0000 170.6908 13 V 3.6407 8.0148 120.3256 65.9711 32.0113 175.8151 14 H 4.2009 8.9139 118.3411 59.4674 29.7265 176.9565 15 D 4.2734 7.8978 120.3590 57.2961 40.4396 178.4485 16 F 4.0771 8.3078 121.0886 61.5306 39.3868 177.3287 17 I 3.7921 8.0223 119.3170 64.2896 36.9301 178.3903 18 L 3.9845 8.0292 119.9223 57.7381 41.4346 179.6464 19 V 3.5599 7.8547 118.1821 66.2087 31.4706 178.3171 20 R 3.9424 7.6236 117.2800 58.7302 29.8979 178.7881 21 A 4.0046 8.5484 121.3586 55.4425 18.3566 179.8500 22 T 3.9438 8.2217 108.1376 64.6938 68.8912 176.7226 23 A 3.9627 8.0578 123.7595 55.0571 18.3525 179.6944 24 I 3.6968 7.7597 118.2170 64.4436 37.2019 178.8197 25 V 3.7000 7.6698 118.6949 66.1909 31.3461 178.1658 26 L 4.1460 8.4089 119.0368 57.8883 41.3479 179.6799 27 T 3.9164 8.1638 115.9659 66.6587 68.3507 176.5936 28 L 4.1369 8.0635 120.9149 58.1212 41.6559 179.0225 29 Y 3.2899 8.2581 119.4214 60.4795 38.5807 178.1569 30 I 3.7062 8.0867 121.1024 64.1525 37.2085 178.4366 31 I 3.7514 8.0192 120.9070 64.4150 36.9281 177.7849 32 Y 4.1615 8.2649 120.4978 61.0025 38.6592 178.1466 33 M 3.8284 7.9695 119.5247 58.4029 32.0577 178.8506 34 V 3.8275 8.2635 118.9531 65.9262 31.4137 177.8237 35 G 3.7772 8.2200 104.7495 48.4350 0.0000 174.5967 36 F 3.8574 7.9025 123.3306 60.7366 38.9004 176.8430 37 F 3.6293 8.0704 117.1603 60.5326 38.9888 177.2663 38 A 4.5266 7.8447 117.7164 51.6872 19.5390 178.4207 39 T 4.4848 7.6626 109.2973 61.5174 68.9293 174.4234 40 S 4.2960 7.7239 110.7185 58.0811 65.2733 175.6265 41 G 3.5481 8.2042 108.3830 47.5827 0.0000 172.1221 42 E 3.6842 8.2170 117.9157 56.2532 29.7654 178.0903 43 L 4.4078 8.1486 125.0593 53.7010 40.6436 176.7975 44 T 4.1878 7.8094 116.7008 61.4973 69.7347 173.2588 45 Y 4.3326 8.7650 125.9062 60.9172 38.7155 178.3558 46 E 3.8268 8.4418 120.0527 59.5490 29.8874 179.3693 47 V 3.7526 7.8268 111.9409 63.7954 31.5736 178.1819 48 W 4.4184 8.3168 128.3607 60.8232 30.5921 177.9852 49 I 3.7806 8.0626 118.6013 63.6589 37.0900 178.0329 50 G 3.5931 7.9621 106.2766 47.3413 0.0000 175.3853 51 F 4.0649 8.0937 122.8455 61.1650 39.2484 176.9807 52 F 3.9134 7.3006 113.6434 58.5994 38.8134 176.6434 53 A 4.2210 7.4394 119.7605 52.4963 19.4303 177.8114 54 S 4.0243 7.1540 113.0320 58.1000 63.2618 174.7726 55 A 3.9343 8.7823 129.2305 55.3203 18.1449 179.5457 56 F 3.6925 8.2274 118.5329 61.8819 39.3244 177.4234 57 T 3.9374 7.6397 115.0021 66.3013 68.1389 176.9266 58 K 3.8456 7.9899 120.4592 59.5573 32.1125 179.5197 59 V 3.4410 7.8334 118.5629 65.9266 31.3412 177.8431 60 F 4.1950 7.9554 120.3865 61.5759 39.1020 177.2833 61 T 3.5011 8.2512 115.6241 66.5361 68.1772 176.7354 62 L 3.7868 7.8233 120.9544 57.5309 41.5495 179.3113 63 L 4.0607 8.1755 120.2839 58.0092 41.9338 178.9260 64 A 3.8528 8.1533 121.1897 55.0216 18.2035 179.5631 65 L 3.9075 7.8909 117.6915 57.9756 41.6476 179.8124 66 F 4.1503 8.4779 117.9018 60.6417 38.8732 177.8689 67 S 4.2312 8.4127 114.8282 61.7169 62.5936 176.8041 68 I 3.7962 8.2007 122.8639 64.2218 36.7210 178.0282 69 L 4.0397 8.0265 121.1330 58.3777 41.9729 179.2342 70 I 3.8806 7.8939 119.4269 64.6817 37.0851 177.8417 71 H 4.0896 8.8936 119.0154 59.4978 29.7940 177.2619 72 A 4.1190 8.6532 122.6877 54.4439 18.1127 179.5340 73 W 4.4908 8.1290 127.5915 60.7650 30.8486 178.3041 74 I 3.3077 7.7192 119.6778 64.1071 36.5490 178.4357 75 G 3.6930 8.1186 106.6085 48.4174 0.0000 175.6238 76 M 4.1373 8.4899 122.0536 57.4603 31.9160 178.6489 77 W 3.7068 7.8572 128.7433 60.3554 30.4754 178.0406 78 Q 3.6209 7.8764 116.9904 58.7325 28.4480 178.6871 79 V 3.4721 7.5556 119.1344 66.0106 31.5655 178.1518 80 L 3.9659 7.9547 119.2248 57.6746 41.2446 178.9255 81 T 3.8376 7.0239 107.1535 62.7653 68.9370 176.0570 82 D 4.1866 7.1359 121.9210 56.7323 41.3116 176.7830 83 Y 4.6477 7.3282 112.8726 57.6725 39.3567 175.8231 84 V 4.2448 7.6351 119.6103 60.8656 31.7990 175.2646 85 K 4.0365 8.5906 126.4847 58.5693 32.6247 176.9884 86 P 4.2243 0.0000 0.0000 62.4857 31.9871 176.3787 87 L 3.9021 8.7178 124.7303 58.3136 42.0365 178.6674 88 A 3.9786 7.9747 119.8303 55.1785 18.4094 178.9952 89 L 3.9030 7.9508 118.2878 58.3484 42.0605 179.1063 90 R 3.8951 7.8736 118.3078 59.4866 30.0501 178.3796 91 L 4.0804 8.3710 119.2292 58.1909 41.6055 179.4753 92 M 4.0762 8.1491 118.5222 58.4798 31.8788 178.8662 93 L 4.0856 8.0884 119.0975 57.8746 41.7351 179.6219 94 Q 4.3086 8.5063 118.2869 58.6855 28.6683 178.3176 95 L 3.8088 8.1628 121.5759 58.2591 42.1104 179.0783 96 V 3.5783 7.7520 117.9973 66.1701 31.3838 178.1019 97 I 3.6916 7.9568 119.3755 64.3785 36.9262 178.6512 98 V 3.3158 8.0042 119.5017 65.7940 31.1997 178.0712 99 V 3.4363 8.1062 118.1786 65.9224 31.2947 177.8457 100 A 3.7131 8.0148 120.4436 55.0774 18.3334 179.4933 101 L 3.5455 7.6260 117.4612 57.9268 41.6251 180.0716 102 V 3.5555 7.9576 118.4401 65.7862 31.3420 178.3103 103 V 3.5902 7.8896 118.3848 66.0056 31.3534 177.2705 104 Y 4.5276 8.3180 117.1087 61.4450 37.7889 179.1389 105 V 3.5270 7.7166 118.0813 66.2164 31.7782 178.1492 106 I 3.8299 7.9915 119.6272 64.5749 36.8545 177.8652 107 Y 4.3306 9.0932 121.1637 60.5570 38.6008 178.1827 108 G 3.5606 8.4383 106.8292 47.9358 0.0000 175.6568 109 F 3.9423 8.3716 120.1888 60.1327 38.6342 177.9162 110 V 3.6804 7.4520 117.0128 65.5761 31.3430 178.0958 111 V 3.5115 7.7477 118.4698 65.9047 31.4096 178.5255 112 V 3.7377 7.7600 114.5914 64.5792 31.3828 178.9261 *113 W 4.3664 7.7098 120.3983 59.8127 28.0294 178.9833 114 G 4.3263 7.1749 102.3220 45.1749 0.0000 173.9223 115 V 4.0210 7.6370 126.2527 62.7478 31.9411 175.0093 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 11 N 8.27 4.71 0.00 2.96 3.05 0.00 0.00 6.02 6.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.44 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.01 3.64 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 1.05 0.00 0.00 0.90 0.00 0.00 14 H 8.91 4.20 0.00 3.36 3.44 0.00 5.66 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 15 D 7.90 4.27 0.00 2.85 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 16 F 8.31 4.08 0.00 3.27 3.26 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 17 I 8.02 3.79 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 0.95 0.00 0.00 18 L 8.03 3.98 0.00 1.63 1.69 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.85 3.56 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 0.90 0.00 0.00 0.90 0.00 0.00 20 R 7.62 3.94 0.00 1.66 1.84 0.00 2.21 0.00 0.00 2.67 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 21 A 8.55 4.00 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 22 T 8.22 3.94 4.31 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 1.35 0.00 0.00 23 A 8.06 3.96 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.76 3.70 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.95 0.00 0.00 25 V 7.67 3.70 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 1.17 0.00 0.00 0.98 0.00 0.00 26 L 8.41 4.15 0.00 1.72 1.75 0.88 0.64 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 27 T 8.16 3.92 4.44 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 0.00 0.00 0.00 1.26 0.00 0.00 28 L 8.06 4.14 0.00 2.18 2.07 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.26 3.29 0.00 2.63 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.09 3.71 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.60 0.94 0.00 0.00 31 I 8.02 3.75 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.99 0.00 0.00 32 Y 8.26 4.16 0.00 3.23 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 33 M 7.97 3.83 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.81 0.00 34 V 8.26 3.83 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 1.10 0.00 0.00 0.97 0.00 0.00 35 G 8.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.90 3.86 0.00 2.28 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.07 3.63 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.84 4.53 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 39 T 7.66 4.48 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 1.20 0.00 0.00 40 S 7.72 4.30 0.00 3.52 3.14 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 41 G 8.20 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.22 3.68 0.00 1.97 1.91 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 2.31 2.33 0.00 43 L 8.15 4.41 0.00 1.60 1.62 0.92 1.05 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 44 T 7.81 4.19 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 45 Y 8.76 4.33 0.00 3.13 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 46 E 8.44 3.83 0.00 2.18 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 2.34 2.38 0.00 47 V 7.83 3.75 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 0.88 0.00 0.00 1.17 0.00 0.00 48 W 8.32 4.42 0.00 3.57 3.29 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 49 I 8.06 3.78 1.37 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 1.38 1.11 0.75 0.00 0.00 50 G 7.96 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 0.00 0.00 0.00 51 F 8.09 4.06 0.00 2.57 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 52 F 7.30 3.91 0.00 2.71 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.44 4.22 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 54 S 7.15 4.02 0.00 3.72 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 55 A 8.78 3.93 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 56 F 8.23 3.69 0.00 3.15 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 57 T 7.64 3.94 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 0.32 0.00 0.00 58 K 7.99 3.85 0.00 1.87 1.76 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.61 7.81 59 V 7.83 3.44 1.78 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 0.78 0.00 0.00 0.88 0.00 0.00 60 F 7.96 4.19 0.00 2.84 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 61 T 8.25 3.50 4.41 0.00 0.00 0.00 0.00 0.00 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 62 L 7.82 3.79 0.00 1.52 1.49 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.18 4.06 0.00 1.81 1.98 0.91 0.71 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 64 A 8.15 3.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.89 3.91 0.00 1.71 1.62 0.89 1.29 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 66 F 8.48 4.15 0.00 3.25 3.09 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 67 S 8.41 4.23 0.00 4.07 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 68 I 8.20 3.80 2.10 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 1.47 0.76 1.09 0.00 0.00 69 L 8.03 4.04 0.00 1.80 1.99 0.90 0.89 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 70 I 7.89 3.88 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.97 0.00 0.00 71 H 8.89 4.09 0.00 3.30 3.42 0.00 5.78 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 72 A 8.65 4.12 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.13 4.49 0.00 3.42 3.37 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 74 I 7.72 3.31 1.92 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 1.26 0.58 0.84 0.00 0.00 75 G 8.12 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 76 M 8.49 4.14 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.97 0.00 77 W 7.86 3.71 0.00 1.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.88 3.62 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 79 V 7.56 3.47 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 1.18 0.00 0.00 0.96 0.00 0.00 80 L 7.95 3.97 0.00 1.50 1.59 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.02 3.84 3.67 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 0.15 0.00 0.00 82 D 7.14 4.19 0.00 1.92 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 83 Y 7.33 4.65 0.00 2.94 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 84 V 7.64 4.24 2.17 0.00 0.00 0.00 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 0.97 0.00 0.00 85 K 8.59 4.04 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.22 0.00 2.16 2.02 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 87 L 8.72 3.90 0.00 1.76 1.69 0.96 1.21 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 88 A 7.97 3.98 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 89 L 7.95 3.90 0.00 1.78 1.85 0.94 0.86 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 90 R 7.87 3.90 0.00 1.95 2.07 0.00 3.09 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 91 L 8.37 4.08 0.00 1.73 1.76 0.96 0.97 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 92 M 8.15 4.08 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 93 L 8.09 4.09 0.00 1.92 1.78 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.51 4.31 0.00 2.46 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.93 2.75 0.00 95 L 8.16 3.81 0.00 1.85 1.88 0.86 0.77 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 96 V 7.75 3.58 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 1.05 0.00 0.00 0.99 0.00 0.00 97 I 7.96 3.69 2.26 0.00 0.00 1.00 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 0.64 1.19 0.00 0.00 98 V 8.00 3.32 1.72 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 0.74 0.00 0.00 -0.31 0.00 0.00 99 V 8.11 3.44 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 0.97 0.00 0.00 0.90 0.00 0.00 100 A 8.01 3.71 1.09 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 0.00 0.00 101 L 7.63 3.55 0.00 1.74 1.71 1.15 0.78 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 0.00 102 V 7.96 3.56 1.99 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 1.02 0.00 0.00 0.86 0.00 0.00 103 V 7.89 3.59 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 1.02 0.00 0.00 0.92 0.00 0.00 104 Y 8.32 4.53 0.00 3.24 2.97 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 0.00 105 V 7.72 3.53 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 0.60 0.00 0.00 0.73 0.00 0.00 106 I 7.99 3.83 1.93 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 1.35 1.14 0.93 0.00 0.00 107 Y 9.09 4.33 0.00 3.11 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 0.00 108 G 8.44 3.56 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 0.00 109 F 8.37 3.94 0.00 3.32 3.07 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 0.00 0.00 0.00 110 V 7.45 3.68 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 111 V 7.75 3.51 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 0.77 0.00 0.00 0.29 0.00 0.00 112 V 7.76 3.74 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 0.75 0.00 0.00 0.84 0.00 0.00 *113 W 7.71 4.37 0.00 2.54 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 0.00 0.00 0.00 114 G 7.17 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 0.00 0.00 0.00 0.00 115 V 7.64 4.02 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 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.