NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8245 8.1476 120.6208 55.5879 34.4137 173.7425 2 V 4.8531 8.7249 122.0260 59.0037 35.0348 172.4280 3 L 4.6889 9.1824 126.8033 53.2638 44.6819 175.9869 4 I 4.8594 8.4781 127.1717 59.5171 39.8747 174.4637 5 L 4.9818 8.8036 127.1966 52.8177 45.1416 175.3607 6 N 5.3812 8.8472 120.4526 51.7016 42.0598 174.9611 7 G 4.3476 8.7026 114.0495 43.8429 0.0000 171.3762 8 P 4.4713 0.0000 0.0000 64.3810 31.9960 177.1897 9 N 4.6296 9.3933 118.2511 53.6127 37.7545 176.3755 10 L 4.1173 7.5461 117.8594 56.4517 41.9334 178.6089 11 N 4.4308 8.2198 115.3080 54.8287 37.1096 175.5043 12 L 4.5231 7.8328 118.2959 53.8904 42.3276 175.6019 13 L 3.8583 7.3706 122.0213 56.2910 41.7858 175.7742 14 G 4.0474 8.5192 117.8572 46.3953 0.0000 174.9000 15 R 4.1050 7.7858 120.3193 56.1105 30.8491 176.9228 16 R 4.1657 7.5396 115.1640 55.6183 29.4427 176.8242 17 E 3.9339 8.8745 123.7808 55.0826 29.7774 170.9721 18 P 4.7647 0.0000 0.0000 64.3721 32.8859 176.8921 19 E 4.1101 8.0318 118.5428 57.6046 29.8874 177.8094 20 V 3.5299 7.6684 117.9222 65.2646 31.7546 176.0646 21 Y 4.6825 7.8458 114.3356 57.1300 39.5719 177.7267 22 G 3.9626 8.7515 108.1616 44.9512 0.0000 173.3660 23 R 4.5583 8.3381 112.3689 55.9385 31.4145 175.5809 24 T 4.2522 7.8832 113.8614 62.0584 68.0608 174.3377 25 T 4.9086 8.1547 120.2725 59.7652 71.8276 175.9111 26 L 3.9296 8.2037 121.9652 58.0964 42.0871 178.0821 27 E 3.7905 8.2081 118.1388 59.9299 29.4367 179.2535 28 E 3.8211 8.0031 117.7913 59.1336 29.5058 179.1800 29 L 3.7421 8.0876 121.0475 58.0881 42.0409 178.9802 30 E 2.9002 7.7036 117.2806 58.6908 29.2414 178.8888 31 A 3.7325 7.5282 121.7712 54.7733 18.4269 179.3572 32 L 3.1654 7.3653 118.5908 58.2387 42.1050 178.8894 33 C 4.3811 7.6879 116.5896 62.7417 27.9890 175.5531 34 E 3.8960 8.2594 120.8581 59.3733 29.1152 178.8521 35 A 3.9295 7.8045 120.3965 54.9852 18.3158 179.5629 36 W 4.5708 8.0849 117.6035 59.9693 29.1424 178.9745 37 G 3.6321 8.4918 105.3313 47.8998 0.0000 175.2724 38 A 4.0276 8.6923 124.7344 54.9781 18.2124 179.7498 39 E 3.8332 8.1384 114.8382 59.2451 29.8961 178.7517 40 L 4.5015 7.5089 120.2531 53.9005 42.5042 176.2658 41 G 3.8181 8.5545 103.9090 45.8966 0.0000 173.9443 42 L 4.6740 8.0753 121.1149 52.6555 45.0650 176.1799 43 G 3.9149 8.8516 113.9249 46.4989 0.0000 172.5209 44 V 6.0030 8.6265 115.8038 58.3056 35.8176 175.2240 45 V 4.7016 8.5162 121.7612 59.9733 35.1797 173.9831 46 F 5.1477 8.7695 123.6701 56.7557 42.0891 173.8979 47 R 4.7137 8.4824 124.0312 54.5430 34.4074 174.0631 48 Q 5.1877 8.5901 121.1330 55.2548 32.3074 173.6381 49 T 4.9037 9.0546 119.2129 60.9308 71.1582 173.8738 50 N 4.7105 9.1596 122.8150 53.8370 39.4645 174.5000 51 Y 4.6121 7.8192 117.6611 55.7279 40.2361 176.0574 52 E 3.9627 9.1014 125.7111 59.4107 29.7234 178.8441 53 G 3.7092 8.1957 105.1394 48.1339 0.0000 175.0885 54 Q 3.6078 7.8850 121.5671 58.3007 28.9714 178.0037 55 L 3.9699 7.5194 119.5896 57.6973 41.6606 179.1989 56 I 3.6669 7.7161 119.6587 64.5751 37.2133 178.2059 57 E 3.9358 7.9468 119.1850 59.3041 29.3293 179.6187 58 W 4.5031 8.0673 118.8208 60.0409 28.9201 179.0957 59 V 3.7521 7.9224 111.2756 64.4541 31.0166 178.3599 60 Q 4.1719 8.3138 117.4307 58.4101 29.0010 177.6850 61 Q 4.3486 8.0702 118.2388 56.7045 29.0524 177.1723 62 A 4.1821 7.5888 121.5984 55.9142 18.2154 179.1997 63 H 4.3633 8.2203 113.0671 58.7416 28.5537 177.7278 64 Q 4.0983 7.4705 119.8218 58.4049 28.6339 177.3183 65 E 4.3064 8.1212 116.6372 56.3918 29.9036 177.5288 66 G 3.8953 7.7046 106.5244 45.1795 0.0000 174.1178 67 F 4.5234 7.5452 117.4152 57.6389 39.3582 174.6898 68 L 4.9443 8.6800 121.6592 54.5595 43.6358 175.7874 69 A 4.7959 7.7433 117.1533 51.9573 22.6364 175.0524 70 I 4.8737 8.4267 120.8721 59.4871 40.4843 174.8670 71 V 4.5441 8.7197 126.8594 61.4249 33.7518 174.4793 72 L 4.8430 9.0362 129.2366 53.6761 45.3320 174.5666 73 N 5.2137 8.7168 126.7818 50.6268 39.0832 173.5803 74 P 4.2779 0.0000 0.0000 62.7546 32.5777 179.0802 75 G 3.7966 8.3454 107.5761 45.8890 0.0000 174.6129 76 A 4.3170 8.5311 119.8729 54.3839 18.4811 179.5067 77 L 3.3133 7.9115 117.5863 57.3496 41.5329 179.1945 78 T 3.7940 7.9060 109.9619 64.5040 68.2384 175.0400 79 H 5.0596 7.9047 118.0978 55.2099 29.1555 174.9005 80 Y 4.5737 7.2271 115.6159 56.4243 42.7715 175.6734 81 S 4.1981 7.5545 116.2553 57.9141 61.5174 173.4149 82 Y 4.3555 8.2091 126.0201 59.7456 38.0417 177.2173 83 A 4.0348 7.9795 122.0857 54.8784 18.6013 179.0616 84 L 3.8468 7.9720 118.9270 58.1294 42.1205 178.8106 85 L 3.9547 7.7901 120.1883 58.5843 41.8145 178.8635 86 D 4.3905 7.9341 116.8539 57.0094 40.9906 178.2954 87 A 4.1249 7.9546 121.3622 55.3703 18.2463 179.2860 88 I 3.6316 7.8043 116.8188 64.6033 37.7554 178.1696 89 R 3.8697 7.9925 117.2028 58.1690 29.9832 177.7148 90 A 4.4896 7.7569 118.8153 51.1721 19.5284 176.5589 91 Q 4.6493 6.9211 114.9013 53.5100 31.3650 173.9875 92 P 4.5260 0.0000 0.0000 63.4543 32.0741 175.8569 93 L 4.6955 7.7798 119.9735 53.0356 43.1007 174.9550 94 P 4.5070 0.0000 0.0000 63.0151 33.0101 175.1682 95 V 4.9087 8.3489 121.1665 61.1558 35.2382 173.8378 96 V 4.7322 8.6799 127.4275 61.0936 33.9072 173.8597 97 E 4.8373 8.8747 129.2157 55.3843 31.1662 175.0166 98 V 4.7778 8.3650 125.5745 61.5064 35.2047 173.7894 99 H 5.0416 8.8757 123.2092 54.1256 32.9403 174.5348 100 L 4.3114 8.9989 121.5548 57.6202 42.6142 177.5119 101 T 4.6134 7.8685 106.6137 59.5101 70.6135 173.3670 102 N 4.4473 8.2188 120.8050 52.8377 39.0391 175.8566 103 L 3.9489 8.3086 126.5068 57.8426 41.9215 177.9689 104 H 4.3554 8.2482 113.6727 56.9179 28.7967 175.5593 105 A 4.8065 7.3709 121.5207 51.7725 19.9110 176.7386 106 R 4.4286 7.3813 120.3228 56.8862 32.1260 175.2691 107 E 4.0958 8.1644 121.3345 56.7597 30.3797 177.4125 108 E 3.8853 8.5523 121.5158 59.1188 30.0275 178.9474 109 F 4.3233 7.9113 113.1541 59.0308 38.1100 176.6882 110 R 3.4658 6.6598 118.9697 57.2574 30.0588 177.4448 111 R 3.9853 7.4566 116.4050 57.1197 30.5393 175.8895 112 H 4.9208 7.8877 114.5780 53.4255 30.4035 172.6271 113 S 4.8393 8.5805 118.3866 56.4815 64.0813 174.0066 114 V 3.9306 8.2803 121.1457 62.9431 32.1528 177.6300 115 T 4.0666 7.8550 110.0674 63.9513 69.6259 176.4754 116 A 4.0142 8.4979 125.7624 54.7158 18.4020 177.8112 117 P 4.2466 0.0000 0.0000 65.0326 31.4416 176.9643 118 A 4.4551 7.9502 118.8592 52.2710 19.4228 176.7961 119 C 4.6345 7.6316 114.0053 58.4293 29.4368 173.9271 120 R 4.0218 8.3322 122.6032 59.3464 30.3890 176.6119 121 G 3.9137 7.2331 103.2536 45.9525 0.0000 171.8290 122 I 5.3406 8.2929 119.1814 59.0757 41.4218 174.7363 123 V 4.7817 8.8227 127.4682 60.1632 34.5319 174.3490 124 S 5.6949 8.3699 117.3751 58.8323 65.4026 174.3835 125 G 3.7470 9.0153 108.7139 45.5691 0.0000 174.0746 126 F 4.9835 8.0068 118.3116 57.7861 40.5696 177.1405 127 G 4.0534 7.9818 110.7632 45.6815 0.0000 175.0228 128 P 4.5682 0.0000 0.0000 66.1003 31.6587 178.2912 129 L 3.7733 8.2698 117.5112 57.1523 41.4501 179.2428 130 S 4.2650 8.3160 115.7834 62.2195 62.8397 176.4917 131 Y 4.0282 8.2923 118.5014 60.8720 37.6576 178.3773 132 K 3.5109 7.7072 120.0344 59.3018 32.2261 178.4798 133 L 3.8118 8.4467 119.6190 57.7798 41.6243 179.2565 134 A 4.0527 7.8198 120.0582 55.3067 18.2834 179.7848 135 L 4.0533 7.8806 117.5667 57.8619 41.8336 180.0532 136 V 3.6695 7.8162 119.2352 64.8876 31.0333 177.7773 137 Y 3.9790 7.7003 118.8956 60.3845 39.0257 177.8477 138 L 3.9159 7.9580 119.1570 57.5291 41.5210 178.8804 139 A 3.9292 8.1486 120.0085 55.6037 18.3312 178.9250 140 E 3.9046 7.7480 115.6435 58.3760 29.9302 177.3286 141 T 4.1606 6.6069 116.0442 62.5381 70.2665 175.3791 *142 L 4.1415 8.2531 122.1692 54.6927 41.6354 177.8898 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 1 M 8.15 4.82 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 V 8.72 4.85 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 0.76 0.00 0.00 1.01 0.00 0.00 3 L 9.18 4.69 0.00 0.65 1.06 0.50 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.48 4.86 1.95 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 0.96 0.00 0.00 5 L 8.80 4.98 0.00 1.50 1.58 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.85 5.38 0.00 2.74 2.67 0.00 0.00 6.52 7.59 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 7 G 8.70 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 0.00 0.00 0.00 8 P 0.00 4.47 0.00 2.19 1.97 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 9 N 9.39 4.63 0.00 2.94 3.01 0.00 0.00 6.94 6.02 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 10 L 7.55 4.12 0.00 1.85 1.74 1.01 0.61 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 11 N 8.22 4.43 0.00 2.86 3.20 0.00 0.00 5.95 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 12 L 7.83 4.52 0.00 1.86 1.68 0.93 0.29 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 13 L 7.37 3.86 0.00 1.88 1.65 0.77 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.52 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.79 4.10 0.00 1.83 2.01 0.00 3.38 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 16 R 7.54 4.17 0.00 2.01 1.99 0.00 3.05 0.00 0.00 2.83 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 17 E 8.87 3.93 0.00 2.29 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 0.00 2.15 2.48 0.00 18 P 0.00 4.76 0.00 2.24 2.25 0.00 3.75 0.00 0.00 3.72 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 19 E 8.03 4.11 0.00 1.94 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 2.28 2.22 0.00 20 V 7.67 3.53 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 0.15 0.00 0.00 0.79 0.00 0.00 21 Y 7.85 4.68 0.00 2.97 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 22 G 8.75 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 23 R 8.34 4.56 0.00 1.97 2.16 0.00 2.99 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 24 T 7.88 4.25 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 1.26 0.00 0.00 25 T 8.15 4.91 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 1.20 0.00 0.00 26 L 8.20 3.93 0.00 1.97 1.72 1.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.21 3.79 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 2.35 2.39 0.00 28 E 8.00 3.82 0.00 2.09 1.89 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 2.25 2.24 0.00 29 L 8.09 3.74 0.00 1.75 1.62 0.64 0.52 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 30 E 7.70 2.90 0.00 1.35 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 2.03 1.98 0.00 31 A 7.53 3.73 1.19 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 0.00 0.00 0.00 32 L 7.37 3.17 0.00 1.61 0.87 0.52 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.69 4.38 0.00 3.18 3.17 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 0.00 0.00 0.00 0.00 34 E 8.26 3.90 0.00 1.96 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 0.00 2.25 2.29 0.00 35 A 7.80 3.93 1.18 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 36 W 8.08 4.57 0.00 3.64 3.15 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 37 G 8.49 3.63 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 0.00 38 A 8.69 4.03 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 39 E 8.14 3.83 0.00 2.19 2.30 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 2.67 2.45 0.00 40 L 7.51 4.50 0.00 1.74 1.93 0.93 1.44 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 41 G 8.55 3.82 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 0.00 0.00 0.00 42 L 8.08 4.67 0.00 1.77 1.57 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.85 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 44 V 8.63 6.00 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 0.79 0.00 0.00 1.07 0.00 0.00 45 V 8.52 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 1.17 0.00 0.00 0.96 0.00 0.00 46 F 8.77 5.15 0.00 3.01 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 47 R 8.48 4.71 0.00 0.88 0.66 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.08 0.00 48 Q 8.59 5.19 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 49 T 9.05 4.90 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 50 N 9.16 4.71 0.00 2.75 2.70 0.00 0.00 6.81 7.46 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 51 Y 7.82 4.61 0.00 2.77 2.73 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 0.00 0.00 0.00 52 E 9.10 3.96 0.00 1.96 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 2.33 2.30 0.00 53 G 8.20 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 54 Q 7.89 3.61 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 55 L 7.52 3.97 0.00 1.80 1.66 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.72 3.67 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.89 0.00 0.00 57 E 7.95 3.94 0.00 1.92 1.95 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 2.26 2.48 0.00 58 W 8.07 4.50 0.00 3.48 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 59 V 7.92 3.75 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 0.84 0.00 0.00 0.95 0.00 0.00 60 Q 8.31 4.17 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 61 Q 8.07 4.35 0.00 2.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 62 A 7.59 4.18 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 63 H 8.22 4.36 0.00 3.49 3.65 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.47 4.10 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 65 E 8.12 4.31 0.00 2.37 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 2.38 2.58 0.00 66 G 7.70 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 F 7.55 4.52 0.00 3.12 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 68 L 8.68 4.94 0.00 1.65 1.67 0.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.74 4.80 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 70 I 8.43 4.87 1.85 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 1.00 0.75 0.90 0.00 0.00 71 V 8.72 4.54 2.12 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 0.94 0.00 0.00 0.99 0.00 0.00 72 L 9.04 4.84 0.00 1.65 1.39 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.72 5.21 0.00 2.74 2.76 0.00 0.00 7.07 6.98 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 74 P 0.00 4.28 0.00 2.10 2.01 0.00 3.79 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 1.97 2.02 0.00 75 G 8.35 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.53 4.32 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 77 L 7.91 3.31 0.00 1.73 1.43 0.80 0.22 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 78 T 7.91 3.79 4.21 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 1.23 0.00 0.00 79 H 7.90 5.06 0.00 3.48 3.64 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.23 4.57 0.00 2.90 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 81 S 7.55 4.20 0.00 3.48 3.62 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 82 Y 8.21 4.36 0.00 3.08 2.85 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 83 A 7.98 4.03 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 84 L 7.97 3.85 0.00 1.78 1.66 0.84 0.33 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 85 L 7.79 3.95 0.00 1.83 1.98 1.05 1.35 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 86 D 7.93 4.39 0.00 2.88 2.73 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 0.00 0.00 0.00 87 A 7.95 4.12 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 88 I 7.80 3.63 1.87 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 1.53 1.33 0.99 0.00 0.00 89 R 7.99 3.87 0.00 2.02 1.99 0.00 3.38 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 90 A 7.76 4.49 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 91 Q 6.92 4.65 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 92 P 0.00 4.53 0.00 2.19 2.17 0.00 3.69 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 93 L 7.78 4.70 0.00 1.73 1.67 1.07 1.16 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 94 P 0.00 4.51 0.00 2.28 2.25 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 95 V 8.35 4.91 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 0.95 0.00 0.00 1.00 0.00 0.00 96 V 8.68 4.73 2.06 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 0.77 0.00 0.00 0.98 0.00 0.00 97 E 8.87 4.84 0.00 2.05 1.75 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 2.22 2.28 0.00 98 V 8.37 4.78 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 -0.14 0.00 0.00 0.72 0.00 0.00 99 H 8.88 5.04 0.00 3.19 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.00 4.31 0.00 1.91 1.95 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.87 4.61 4.12 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 0.00 0.00 1.05 0.00 0.00 102 N 8.22 4.45 0.00 2.60 2.64 0.00 0.00 6.89 6.66 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 0.00 103 L 8.31 3.95 0.00 1.35 1.66 0.63 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.25 4.36 0.00 3.20 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.37 4.81 1.19 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 0.00 0.00 0.00 106 R 7.38 4.43 0.00 1.54 1.53 0.00 3.04 0.00 0.00 3.08 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.00 107 E 8.16 4.10 0.00 1.31 1.71 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 2.38 2.24 0.00 108 E 8.55 3.89 0.00 1.96 1.94 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 2.34 2.27 0.00 109 F 7.91 4.32 0.00 3.19 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 0.00 110 R 6.66 3.47 0.00 1.49 1.75 0.00 2.93 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 111 R 7.46 3.99 0.00 1.80 1.98 0.00 3.04 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 112 H 7.89 4.92 0.00 3.42 3.36 0.00 5.21 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.58 4.84 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 3.93 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 0.28 0.00 0.00 0.65 0.00 0.00 115 T 7.86 4.07 4.21 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 1.15 0.00 0.00 116 A 8.50 4.01 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 0.00 117 P 0.00 4.25 0.00 2.08 2.15 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 118 A 7.95 4.46 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 0.00 119 C 7.63 4.63 0.00 3.20 2.83 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 0.00 120 R 8.33 4.02 0.00 1.87 1.89 0.00 3.52 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 121 G 7.23 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 0.00 122 I 8.29 5.34 1.87 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 1.42 1.02 0.90 0.00 0.00 123 V 8.82 4.78 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 0.69 0.00 0.00 1.13 0.00 0.00 124 S 8.37 5.69 0.00 4.01 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 0.00 125 G 9.02 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 0.00 0.00 0.00 126 F 8.01 4.98 0.00 3.33 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 0.00 127 G 7.98 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.57 0.00 2.53 2.40 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 129 L 8.27 3.77 0.00 2.00 1.57 0.97 0.56 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 0.00 130 S 8.32 4.27 0.00 4.15 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 0.00 131 Y 8.29 4.03 0.00 3.57 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 0.00 132 K 7.71 3.51 0.00 0.79 1.05 0.00 1.19 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.44 0.21 7.81 133 L 8.45 3.81 0.00 1.74 1.60 0.47 0.54 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 0.00 134 A 7.82 4.05 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 L 7.88 4.05 0.00 1.95 1.82 1.25 1.00 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 0.00 136 V 7.82 3.67 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 0.75 0.00 0.00 0.91 0.00 0.00 137 Y 7.70 3.98 0.00 3.03 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 0.00 138 L 7.96 3.92 0.00 1.95 1.71 1.07 1.02 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 0.00 139 A 8.15 3.93 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 0.00 140 E 7.75 3.90 0.00 1.91 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 2.25 2.30 0.00 141 T 6.61 4.16 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 1.11 0.00 0.00 *142 L 8.25 4.14 0.00 1.41 1.48 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.