NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3562 8.1744 117.3807 63.7925 69.8592 172.6586 3 T 4.4554 8.0670 119.0305 60.7064 70.1856 171.6814 4 R 4.2650 8.6817 124.2267 57.5182 31.7941 176.5262 5 L 4.4839 7.8180 119.5352 52.8987 44.9851 176.2512 6 E 4.3087 8.6928 127.1273 55.2611 28.2930 176.7449 7 W 4.3722 8.3456 121.9219 58.8910 28.8329 178.1643 8 A 3.2775 6.6371 121.0114 54.0380 17.3611 179.1616 9 K 4.0407 7.5423 115.5617 58.7183 32.6395 178.6511 10 A 4.3815 7.6241 120.1042 53.6475 19.6094 177.4434 11 S 4.5428 8.4836 112.3886 54.5774 62.9982 172.0087 12 P 4.5770 0.0000 0.0000 64.5657 31.2078 177.5433 13 D 4.4113 8.1749 117.1219 56.9813 40.5763 178.2775 14 A 4.0703 8.1008 120.6196 55.4232 18.5760 178.6474 15 Y 4.4542 7.8192 115.7481 60.9205 39.0720 177.8402 16 A 4.0016 8.1265 121.3247 54.9949 18.0667 180.1649 17 A 4.0086 7.7820 115.7417 53.2096 18.3335 179.1902 *19 L 4.4444 8.0009 122.8218 56.1736 44.0329 179.4105 20 G 3.8040 8.3574 105.7810 48.0579 0.0000 175.5996 21 L 4.0707 7.6376 119.9418 57.5954 41.6266 179.5296 22 E 4.1512 8.2706 118.0457 59.4186 29.3765 179.3195 23 K 3.9761 8.6963 118.7399 59.4637 31.8728 179.2732 24 A 4.0428 7.8827 120.4151 54.9490 18.6308 179.3292 25 L 4.1315 8.1006 117.8934 58.5599 40.4857 179.1842 26 A 4.0286 8.0288 121.1372 54.7768 18.3427 178.9677 27 K 4.1538 7.5787 114.7031 56.6514 32.8010 177.4981 28 A 4.3134 7.2495 122.6643 51.9031 18.9038 178.0815 29 G 3.6837 8.8866 109.7170 47.9683 0.0000 174.6006 30 L 3.9998 7.6244 121.4352 55.2082 42.6268 177.1931 31 E 4.1301 8.7468 125.1981 56.2716 31.1902 178.1776 32 R 3.8845 8.6027 122.7990 59.2006 30.1012 177.1893 33 P 4.2440 0.0000 0.0000 65.1257 31.3540 178.3699 34 L 4.0169 7.8937 119.1292 58.0624 42.0394 178.8030 35 I 3.7487 7.6040 119.4400 64.4268 36.9828 178.1566 36 E 3.9229 8.3496 119.5440 59.5498 29.2399 179.5249 37 L 4.0747 7.7922 118.9872 57.5445 41.6454 179.7646 38 V 3.5708 7.9599 118.2678 66.2357 31.5620 177.7373 39 Y 3.9424 8.5170 116.7663 60.9031 37.6921 178.2657 40 L 4.0029 8.4015 121.6071 58.3882 42.2847 179.0494 41 R 4.1196 8.2365 118.6575 59.7462 29.9050 178.6164 42 T 3.9750 7.9771 115.6456 66.4760 68.4660 177.0211 43 S 4.1894 8.1724 117.1644 61.6169 62.8196 176.6735 44 Q 4.0131 8.2805 120.6372 59.0989 28.3196 178.7493 45 I 3.7064 7.5074 119.2738 64.7390 37.4010 177.8900 46 N 4.6011 8.5103 114.3876 53.1557 38.6836 175.2143 47 G 3.7578 7.8170 108.4877 47.0263 0.0000 174.8616 48 C 4.4446 8.0684 121.2292 57.7519 31.6749 172.4050 49 A 4.0428 8.4312 131.1500 54.7860 17.9273 178.1432 50 Y 3.9888 8.0895 117.1246 61.3762 39.0266 177.8685 51 C 4.3282 8.2181 115.6464 62.6154 28.5402 175.6740 52 V 3.8413 8.1688 120.2966 66.0339 31.0781 178.0294 53 N 4.4105 7.8109 112.3813 55.1378 38.3275 175.7591 *55 H 4.5693 8.1761 117.8717 55.4166 31.1448 175.2705 56 A 4.0067 8.4028 121.5633 55.4087 18.0635 179.2683 57 N 4.2162 8.1134 114.4726 56.6592 38.6999 177.3345 58 D 4.2698 8.0047 119.2826 57.2963 40.8829 178.5132 59 A 3.9613 8.1795 121.3354 55.1287 18.1602 179.5170 60 R 4.0925 8.1365 117.4282 59.0052 30.3067 178.6699 61 K 4.0424 8.0504 116.7932 59.8554 32.4538 178.5263 62 A 4.2020 8.0308 121.5315 53.5803 18.4707 177.4082 63 G 4.4737 6.5983 102.7389 45.1041 0.0000 171.8980 64 E 5.6361 7.1335 129.1901 55.4230 32.0082 175.7927 65 T 4.5816 7.6239 120.1071 60.1369 71.1750 175.0726 66 E 3.9944 8.5485 125.7607 59.3722 29.0257 179.3756 67 Q 3.7924 7.8799 119.3575 59.1869 28.9586 178.4085 68 R 4.0008 7.6867 118.4408 58.8763 30.0869 178.7338 69 L 4.2155 7.7433 118.3750 57.6893 41.6968 179.0976 70 Q 4.2081 8.1013 116.3476 58.2932 29.1610 177.2626 71 A 4.5594 7.8178 120.5599 52.7745 19.2401 178.7778 72 L 4.1254 7.7702 118.6724 58.2671 42.0391 178.6036 73 C 4.5392 8.3055 112.3571 60.5213 29.1331 174.2475 74 V 4.5175 8.0118 115.0709 60.4109 33.1358 177.3761 75 W 4.6467 8.5050 120.4069 59.9910 27.8755 177.9849 76 Q 3.1180 6.8501 116.4389 58.2379 27.9558 177.5463 77 E 4.5298 7.4887 114.1999 56.1265 29.7116 175.6765 78 T 4.4985 7.7755 108.5005 59.4077 71.3302 171.5353 79 P 4.7285 0.0000 0.0000 63.1013 31.4866 175.9156 80 Y 4.4663 7.1096 115.6874 59.1222 38.2061 175.5156 81 F 5.0938 7.7392 118.1660 55.1746 42.2689 175.7369 82 T 4.2215 8.7666 114.3659 60.9549 70.7243 173.8154 83 P 4.2047 0.0000 0.0000 66.1134 31.2946 178.9660 84 R 3.5591 7.7805 116.7056 59.2780 30.0324 178.1906 85 E 4.0025 8.1358 118.4233 59.6132 29.4839 179.6545 86 R 3.4149 8.4011 118.1066 58.7266 30.0753 178.9792 87 A 4.0502 8.0089 120.7231 55.1314 18.3828 179.5836 88 A 3.9793 8.1610 119.3717 55.2255 18.4492 179.9125 89 L 3.6422 7.9933 117.7632 57.2605 41.3925 179.4300 90 A 4.3139 7.8306 120.9334 55.0510 18.4138 179.0493 91 W 4.4503 8.2383 126.8311 61.3255 30.6389 178.0895 92 T 3.8294 8.1534 115.1988 66.7193 67.7845 176.3787 93 E 3.9831 8.3559 120.1842 59.5705 29.3498 179.4072 94 Q 3.9499 7.7598 116.4398 59.1648 28.9215 178.9193 95 L 3.8916 7.6189 117.9631 57.1527 41.5798 179.0745 96 A 4.1120 7.7786 120.5737 54.3968 18.5913 178.8970 97 R 4.4974 7.5733 115.6450 55.8239 31.6013 178.4991 98 L 3.8459 8.0355 123.7286 58.2823 42.1094 178.8845 99 S 4.1858 7.9137 111.1303 60.2518 63.1616 174.6193 100 Q 4.2453 8.4350 119.1652 55.5478 29.1238 176.0614 101 G 3.7779 6.4326 103.3846 45.2576 0.0000 172.0090 102 A 4.1568 7.9363 122.3393 51.7085 19.0919 176.7472 103 L 4.3664 8.0586 121.5266 52.7819 43.2982 174.6764 104 P 4.3273 0.0000 0.0000 63.3757 31.5854 176.9561 105 H 4.3788 9.4533 119.3563 58.0002 28.8690 176.3359 106 G 3.9114 8.0154 107.6258 45.7297 0.0000 175.1353 107 L 4.0799 8.2322 123.1068 57.9950 42.0736 178.5899 108 L 3.7476 8.0807 119.9580 58.1273 41.9162 178.2388 109 D 4.4010 8.1866 117.5012 57.5798 40.9862 178.4028 110 E 4.1722 7.9214 119.2410 59.2497 29.5643 179.0673 111 L 4.3824 7.7916 118.3279 57.8672 40.5184 179.1141 112 R 4.1246 7.7531 118.6411 58.9074 30.0178 178.0161 113 E 4.1023 7.8827 116.7678 58.2755 29.5165 177.0034 114 H 4.6606 7.8927 112.8292 54.8309 31.2322 173.2445 115 F 4.9880 8.1447 116.6454 54.7558 42.5959 174.7671 116 D 4.7625 9.0761 123.9748 52.6195 42.0157 177.3577 117 D 4.2986 8.4608 118.6104 57.2431 40.6908 178.8490 118 K 3.9357 8.0745 119.7087 59.5366 32.2786 178.5379 119 E 4.1256 9.1599 119.0982 59.5015 29.3567 179.1372 120 I 3.2757 7.9619 119.9069 64.4154 37.1522 178.3117 121 A 4.0128 7.9861 121.2367 55.2192 18.1492 179.5852 122 E 3.9316 8.3210 117.1911 59.2676 29.5366 179.2388 123 L 3.9042 8.3423 120.6775 58.6898 42.0855 179.3163 124 T 4.2341 8.3602 115.9625 66.3502 68.2559 176.5022 125 L 3.9397 8.2165 122.2446 58.0248 42.1817 178.6512 126 A 4.2503 8.3654 121.0605 55.4852 18.4177 179.5290 127 V 3.5297 8.3305 116.8040 66.5836 31.6237 178.4970 128 S 4.0975 8.3043 114.5879 61.2716 62.6620 176.5995 129 A 3.9177 8.4003 123.9959 55.1839 18.2137 179.5605 130 I 3.4760 7.4841 117.1622 64.1152 37.6979 177.5718 131 N 4.2706 7.9945 117.0856 56.3820 38.3109 177.2490 132 A 3.9059 7.7767 121.6495 55.0155 18.5403 179.7147 133 W 4.5397 8.6686 117.8335 60.1464 28.9893 178.5291 134 N 4.5272 8.8665 116.9718 56.3524 37.8650 177.7101 135 R 3.8105 7.6449 119.4622 59.0877 29.8945 179.0257 136 F 3.8813 7.7123 116.5997 60.3392 38.9569 177.6453 137 G 3.9075 8.4671 104.2851 47.8682 0.0000 175.6656 138 V 3.9193 8.0046 120.2752 65.4878 31.6822 178.1237 139 G 3.4736 7.8508 103.7912 46.4705 0.0000 172.9820 *141 G 3.5413 7.9247 107.6765 45.0597 0.0000 173.0470 *143 Q 4.2138 8.3865 123.4483 54.6870 30.0673 173.7235 144 P 4.5123 0.0000 0.0000 63.3307 31.3490 176.1904 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 T 8.17 4.36 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 1.23 0.00 0.00 3 T 8.07 4.46 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 1.19 0.00 0.00 4 R 8.68 4.27 0.00 1.87 1.99 0.00 3.27 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 5 L 7.82 4.48 0.00 1.61 1.58 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.69 4.31 0.00 2.00 1.76 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 2.31 2.33 0.00 7 W 8.35 4.37 0.00 3.76 3.44 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 0.00 8 A 6.64 3.28 -0.08 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 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.54 4.04 0.00 1.78 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.31 7.81 10 A 7.62 4.38 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 11 S 8.48 4.54 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 12 P 0.00 4.58 0.00 2.23 2.14 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 13 D 8.17 4.41 0.00 2.74 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 14 A 8.10 4.07 1.64 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 0.00 0.00 15 Y 7.82 4.45 0.00 2.53 3.08 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 0.00 0.00 0.00 0.00 16 A 8.13 4.00 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 17 A 7.78 4.01 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 *19 L 8.00 4.44 0.00 1.81 1.71 0.71 0.88 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 20 G 8.36 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 21 L 7.64 4.07 0.00 1.86 1.82 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.27 4.15 0.00 2.31 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 3.01 2.61 0.00 23 K 8.70 3.98 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.66 7.81 24 A 7.88 4.04 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 25 L 8.10 4.13 0.00 1.99 1.99 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.03 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 27 K 7.58 4.15 0.00 1.87 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.61 7.81 28 A 7.25 4.31 1.30 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 0.00 0.00 0.00 29 G 8.89 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 30 L 7.62 4.00 0.00 1.75 1.63 1.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.75 4.13 0.00 2.13 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 2.42 2.45 0.00 32 R 8.60 3.88 0.00 1.89 1.91 0.00 3.16 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 33 P 0.00 4.24 0.00 2.22 2.10 0.00 3.62 0.00 0.00 3.69 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 34 L 7.89 4.02 0.00 1.82 1.88 0.98 1.29 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 35 I 7.60 3.75 1.91 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 1.54 0.68 0.59 0.00 0.00 36 E 8.35 3.92 0.00 1.97 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 2.51 2.47 0.00 37 L 7.79 4.07 0.00 1.79 1.66 1.10 1.05 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 38 V 7.96 3.57 2.38 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 1.14 0.00 0.00 1.00 0.00 0.00 39 Y 8.52 3.94 0.00 3.11 2.76 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 40 L 8.40 4.00 0.00 1.85 1.77 1.02 0.80 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 41 R 8.24 4.12 0.00 1.98 1.94 0.00 3.55 0.00 0.00 3.47 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 42 T 7.98 3.98 4.17 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 1.15 0.00 0.00 43 S 8.17 4.19 0.00 4.15 4.04 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 44 Q 8.28 4.01 0.00 2.34 2.19 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 2.43 2.65 0.00 45 I 7.51 3.71 2.02 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 1.56 0.59 0.91 0.00 0.00 46 N 8.51 4.60 0.00 2.77 2.87 0.00 0.00 7.10 7.30 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 47 G 7.82 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 0.00 0.00 0.00 48 C 8.07 4.44 0.00 3.08 2.95 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 49 A 8.43 4.04 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 50 Y 8.09 3.99 0.00 3.01 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 51 C 8.22 4.33 0.00 3.11 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 52 V 8.17 3.84 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 1.11 0.00 0.00 1.00 0.00 0.00 53 N 7.81 4.41 0.00 2.94 2.83 0.00 0.00 7.24 7.91 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 *55 H 8.18 4.57 0.00 3.46 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.40 4.01 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 57 N 8.11 4.22 0.00 2.74 2.83 0.00 0.00 7.13 7.38 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 58 D 8.00 4.27 0.00 2.60 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 59 A 8.18 3.96 1.41 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 0.00 0.00 0.00 60 R 8.14 4.09 0.00 1.81 2.20 0.00 3.11 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 61 K 8.05 4.04 0.00 1.92 1.91 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.43 7.81 62 A 8.03 4.20 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 63 G 6.60 4.47 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 0.00 0.00 0.00 64 E 7.13 5.64 0.00 2.17 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 0.00 2.17 2.10 0.00 65 T 7.62 4.58 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 1.11 0.00 0.00 66 E 8.55 3.99 0.00 1.97 1.96 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 2.37 2.29 0.00 67 Q 7.88 3.79 0.00 1.86 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 68 R 7.69 4.00 0.00 1.98 2.03 0.00 3.01 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.36 0.00 69 L 7.74 4.22 0.00 1.82 1.77 1.05 0.98 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 70 Q 8.10 4.21 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 71 A 7.82 4.56 1.83 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 72 L 7.77 4.13 0.00 2.20 1.81 0.63 0.92 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 73 C 8.31 4.54 0.00 3.23 3.30 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 0.00 74 V 8.01 4.52 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 0.91 0.00 0.00 1.11 0.00 0.00 75 W 8.51 4.65 0.00 3.11 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 76 Q 6.85 3.12 0.00 1.50 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.53 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 77 E 7.49 4.53 0.00 1.89 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 2.13 2.29 0.00 78 T 7.78 4.50 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 1.41 0.00 0.00 79 P 0.00 4.73 0.00 2.09 2.05 0.00 2.38 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 80 Y 7.11 4.47 0.00 2.20 2.45 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 81 F 7.74 5.09 0.00 3.15 2.98 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 82 T 8.77 4.22 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 1.24 0.00 0.00 83 P 0.00 4.20 0.00 2.19 2.22 0.00 3.61 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 2.14 2.20 0.00 84 R 7.78 3.56 0.00 1.62 1.78 0.00 2.80 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.00 85 E 8.14 4.00 0.00 2.42 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 2.40 2.42 0.00 86 R 8.40 3.41 0.00 2.05 2.25 0.00 3.55 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 87 A 8.01 4.05 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 88 A 8.16 3.98 1.41 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 0.00 0.00 0.00 89 L 7.99 3.64 0.00 0.27 0.13 -0.30 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.83 4.31 1.66 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 0.00 0.00 91 W 8.24 4.45 0.00 3.45 3.24 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 92 T 8.15 3.83 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 1.24 0.00 0.00 93 E 8.36 3.98 0.00 2.29 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 2.61 3.06 0.00 94 Q 7.76 3.95 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 95 L 7.62 3.89 0.00 1.37 1.46 0.01 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.78 4.11 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 97 R 7.57 4.50 0.00 1.79 1.90 0.00 3.15 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 98 L 8.04 3.85 0.00 1.80 1.61 0.80 0.76 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 99 S 7.91 4.19 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 0.00 100 Q 8.43 4.25 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 101 G 6.43 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 0.00 102 A 7.94 4.16 1.21 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 0.00 0.00 103 L 8.06 4.37 0.00 1.57 1.57 0.91 0.75 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 0.00 104 P 0.00 4.33 0.00 2.31 2.08 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 105 H 9.45 4.38 0.00 3.28 3.44 0.00 5.52 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 0.00 106 G 8.02 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 0.00 107 L 8.23 4.08 0.00 2.02 2.03 1.11 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.08 3.75 0.00 2.01 1.76 0.67 1.34 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 0.00 109 D 8.19 4.40 0.00 2.90 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 0.00 110 E 7.92 4.17 0.00 2.26 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 0.00 2.38 2.53 0.00 111 L 7.79 4.38 0.00 2.11 1.98 0.41 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.75 4.12 0.00 2.00 2.02 0.00 3.13 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 113 E 7.88 4.10 0.00 1.87 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 0.00 2.30 2.56 0.00 114 H 7.89 4.66 0.00 2.72 2.71 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.14 4.99 0.00 2.96 2.81 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 0.00 116 D 9.08 4.76 0.00 2.95 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 0.00 117 D 8.46 4.30 0.00 2.71 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 0.00 118 K 8.07 3.94 0.00 1.83 1.95 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.54 7.81 119 E 9.16 4.13 0.00 2.37 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 0.00 2.44 2.50 0.00 120 I 7.96 3.28 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.85 0.58 0.00 0.00 121 A 7.99 4.01 1.41 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 0.00 0.00 0.00 122 E 8.32 3.93 0.00 2.17 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 2.34 2.45 0.00 123 L 8.34 3.90 0.00 1.39 1.64 0.89 0.14 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 0.00 124 T 8.36 4.23 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 1.32 0.00 0.00 125 L 8.22 3.94 0.00 1.88 1.92 0.96 1.14 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 0.00 126 A 8.37 4.25 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 3.53 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 0.91 0.00 0.00 1.04 0.00 0.00 128 S 8.30 4.10 0.00 4.08 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 0.00 129 A 8.40 3.92 1.50 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 0.00 130 I 7.48 3.48 0.56 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 1.27 0.95 0.71 0.00 0.00 131 N 7.99 4.27 0.00 2.99 2.79 0.00 0.00 6.92 7.52 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 0.00 132 A 7.78 3.91 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 0.00 133 W 8.67 4.54 0.00 3.49 3.30 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 0.00 134 N 8.87 4.53 0.00 2.91 2.89 0.00 0.00 6.98 7.51 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 0.00 135 R 7.64 3.81 0.00 1.77 1.63 0.00 3.20 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 136 F 7.71 3.88 0.00 3.14 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 0.00 137 G 8.47 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 0.00 138 V 8.00 3.92 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 0.84 0.00 0.00 1.00 0.00 0.00 139 G 7.85 3.47 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 0.00 0.00 0.00 *141 G 7.92 3.54 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 0.00 *143 Q 8.39 4.21 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 144 P 0.00 4.51 0.00 2.07 2.03 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.