NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4544 8.3044 118.7947 54.1416 34.2266 176.1055 4 S 4.1114 8.1115 111.1396 59.2301 64.0643 174.0575 5 D 4.4528 9.4570 130.9165 58.4723 40.1185 178.1469 6 L 4.3169 8.0993 119.6713 57.5665 41.5648 179.6745 7 V 3.7626 7.7377 117.9692 66.0193 31.3632 177.9325 8 T 3.9367 7.9109 117.1263 67.2718 68.6813 176.8068 9 K 4.1118 8.0231 125.3653 59.8067 31.4915 180.4000 10 F 4.4663 8.0104 120.8291 61.4362 39.4321 176.9238 11 E 3.7768 8.3794 115.7737 57.4489 30.2086 177.9920 12 S 4.6855 7.5262 116.4165 55.9370 61.7019 172.7542 13 L 4.5367 6.5720 121.2537 55.1336 46.1476 177.4389 14 I 3.9421 8.2148 122.7889 61.2913 36.6822 176.6231 *18 Y 4.0051 8.1240 124.9755 57.5084 38.4449 174.0726 19 P 4.6005 0.0000 0.0000 63.4337 32.1861 174.2188 20 V 3.7671 8.3897 113.6907 65.3548 31.4626 176.4389 21 S 4.5494 7.9944 111.9101 57.8781 63.2518 173.7389 22 F 4.0829 7.8800 124.9021 59.0408 39.3562 175.5330 23 T 4.3882 7.6921 118.6606 60.2724 71.6948 175.7280 24 K 3.9574 8.4824 122.5646 60.1961 31.9774 180.0188 25 E 3.9181 7.9897 117.9245 61.2013 29.6568 180.8183 26 Q 3.9564 7.7853 119.4153 58.6265 28.5457 178.8476 27 S 4.3348 7.8298 113.9099 61.6729 62.3660 176.1954 28 A 3.9977 8.1792 123.3322 55.2488 18.0040 179.6944 29 Q 3.9080 8.1955 116.4469 58.8567 28.7154 178.6250 30 A 4.2082 8.4632 121.8183 55.3356 18.4974 179.4373 31 A 3.9941 8.3703 119.4725 55.4253 18.3317 179.8554 32 Q 3.8110 8.2671 116.4597 59.0062 28.8382 179.1165 33 W 4.1554 8.2089 119.9672 59.9143 29.0810 178.4945 34 E 4.1253 8.7669 118.8407 59.3200 28.7919 179.3042 35 S 4.0876 8.4908 113.7512 61.5808 62.3944 176.7486 36 V 3.6489 7.9648 115.2381 64.1640 31.1842 178.6050 37 L 4.1097 8.3022 121.4367 58.4389 41.2770 180.3485 38 K 4.1060 7.9649 122.7918 59.2451 31.7397 180.2314 39 S 4.7389 7.8585 111.6079 57.6905 63.5386 174.3208 40 G 3.9783 7.8395 110.3594 47.3511 0.0000 174.0958 41 Q 4.7623 8.0403 116.4076 55.3073 29.7336 178.4862 42 I 4.0139 7.9906 121.0213 64.4002 37.2787 177.2455 43 Q 3.9972 8.1696 120.2260 58.7889 28.7819 176.5529 44 P 4.4783 0.0000 0.0000 64.9777 31.6633 176.6539 45 H 4.7697 8.2446 115.6025 55.7704 29.0366 176.5244 46 L 4.0784 7.9974 122.8806 58.1377 41.5096 178.9819 47 D 4.5166 8.2778 118.2498 57.4838 40.6983 178.6141 48 Q 4.0269 8.1349 119.6261 58.9121 29.1169 177.5327 49 L 3.9131 8.8250 121.8362 58.3349 42.2002 178.4428 50 N 4.2989 8.6107 117.2348 56.6936 38.3763 176.5542 51 L 3.9582 8.1929 121.7338 57.9940 42.0709 178.9813 52 V 3.4686 8.1754 118.6179 66.1828 31.3350 177.9906 53 L 4.3679 7.8047 118.0048 56.2868 41.4253 179.0014 54 R 3.7048 7.5087 118.5514 58.8198 30.1325 176.7140 55 D 4.7314 7.3545 114.6989 54.0534 41.9731 176.0116 56 N 4.9532 7.7823 117.3884 51.3318 41.8901 175.1033 57 T 3.4991 8.7140 120.3207 66.1306 68.8602 174.2158 58 F 5.2076 7.3142 117.8778 55.1774 42.1678 176.5789 59 I 3.4273 9.0990 123.6569 64.3673 36.7811 177.8806 60 V 4.2678 7.8088 116.8730 62.5528 31.3734 175.1766 61 S 3.8111 8.0250 111.8199 59.4179 60.4606 171.9812 62 T 4.6700 8.0008 108.6583 60.1247 70.7086 174.3850 63 L 4.3707 8.3823 121.1074 56.4303 42.1311 176.8450 64 Y 5.0756 7.5649 114.4387 54.9754 41.2700 173.5827 65 P 3.8960 0.0000 0.0000 62.7522 32.1902 176.5951 66 T 4.5300 8.7338 112.6109 59.8081 72.4634 175.6589 67 S 4.0291 8.3313 114.9187 61.5958 62.7065 176.4134 68 T 3.9340 7.9306 119.1084 66.6842 68.1564 175.7328 69 D 4.6991 7.7822 119.5321 57.6921 40.9788 179.1718 70 V 3.6176 7.6632 118.2470 66.4182 31.1240 177.8286 71 H 4.4196 8.6002 116.3698 58.7738 28.5949 178.0092 72 V 3.5711 8.2228 120.2746 66.0241 31.3803 177.6868 73 F 4.2678 8.9138 120.8113 61.5414 38.8607 176.7470 74 E 3.7101 8.1735 117.9277 58.7312 29.1722 178.2925 75 V 3.8757 7.4032 117.3940 65.0540 31.9190 177.8618 76 A 4.0345 8.6207 120.9792 54.6942 18.1152 179.1507 77 L 3.6735 7.6551 119.2838 57.8974 42.2021 177.6736 78 P 4.1696 0.0000 0.0000 65.1847 31.2084 178.1401 79 L 3.8460 7.4515 119.5857 58.2914 42.0229 178.9015 80 I 3.5088 7.9760 120.1420 64.1431 36.9981 178.5131 81 K 3.9717 8.3133 121.9664 60.3746 31.9247 179.7923 82 D 4.5799 7.9651 120.6823 58.0632 39.4350 180.4950 83 L 4.1664 7.6839 118.8583 57.9015 41.8639 179.1682 84 V 3.8468 8.1045 118.3271 66.2468 31.2271 177.7435 85 A 4.0954 8.2857 119.5476 54.4224 18.1906 178.7773 86 S 4.6771 7.5133 109.1638 57.3540 63.6564 174.6065 87 S 4.4471 7.2532 117.8193 58.3594 63.5294 175.3557 88 K 4.1339 8.5197 120.7251 58.4975 32.3735 177.5777 89 D 4.3548 7.6442 117.0291 52.3152 43.6217 175.5396 90 V 3.7823 8.3496 129.1714 65.4358 31.6211 177.6267 91 K 3.9019 7.9803 118.9832 59.5016 31.9350 178.7237 92 S 4.1418 8.4917 115.5189 61.8794 62.5077 176.8736 93 T 3.9893 7.6449 117.0848 66.9163 68.5167 176.0621 94 Y 4.1748 8.5464 118.6445 61.5569 37.7278 178.7872 95 T 3.9451 8.0545 115.3525 66.9081 68.5647 176.2499 96 T 4.0189 7.3833 116.4010 64.8237 68.9230 174.5842 97 Y 4.9274 7.4209 118.7953 56.9423 39.3911 178.0174 98 R 3.9496 8.2498 121.1873 59.8175 30.0722 177.8990 99 H 4.4559 7.8710 115.1431 58.5539 29.0778 177.5234 100 I 3.8873 7.8808 121.1854 64.5415 36.8440 178.3085 101 L 4.1334 8.1296 119.8515 57.5232 41.4619 179.2505 102 R 3.9619 8.0535 118.7463 59.4287 30.0397 178.4474 103 W 4.2850 8.2452 127.6698 60.3996 30.7134 178.0413 104 I 3.6252 8.6827 120.2561 64.4069 36.4599 177.6942 105 D 4.3355 8.4655 119.1518 57.5768 41.0177 177.6467 106 Y 3.8573 8.0965 119.6945 61.1576 38.8369 178.0862 107 M 3.7253 8.3549 120.0433 58.0814 31.8267 178.8631 108 Q 3.9466 8.3552 118.0529 58.9519 28.9030 178.4306 109 N 4.1797 7.7085 118.6839 55.8701 38.4486 176.8294 110 L 3.5946 7.5245 121.2055 57.9639 42.0248 177.7151 111 L 4.2810 7.6414 114.7606 53.7578 41.7004 176.1779 112 E 3.7133 7.6722 116.7981 56.8951 27.4681 175.3284 113 V 3.7389 7.6662 117.3258 62.7530 32.4890 176.2587 114 S 4.3359 8.4244 120.9315 58.3083 64.8154 175.4403 115 S 4.0753 8.6830 119.9257 62.3247 62.6173 176.8131 116 T 4.0183 7.7582 114.4659 65.0768 67.3405 175.5541 117 D 4.5138 7.7457 119.1422 55.1142 41.3846 177.3004 118 K 4.2399 7.4885 118.8599 56.2193 32.6606 175.9668 119 L 4.2927 8.6922 124.3202 53.5400 42.7095 176.1899 120 E 3.8149 8.8679 127.0080 57.4439 29.9136 176.2679 121 I 3.6161 8.5119 125.1876 61.6188 38.9687 172.8118 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 3 M 8.30 4.45 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 4 S 8.11 4.11 0.00 3.96 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 5 D 9.46 4.45 0.00 2.72 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 6 L 8.10 4.32 0.00 1.75 1.74 0.92 0.55 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 7 V 7.74 3.76 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 1.28 0.00 0.00 0.94 0.00 0.00 8 T 7.91 3.94 4.40 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 1.22 0.00 0.00 9 K 8.02 4.11 0.00 1.78 1.83 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 10 F 8.01 4.47 0.00 3.04 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 11 E 8.38 3.78 0.00 2.06 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 2.29 2.29 0.00 12 S 7.53 4.69 0.00 4.00 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 13 L 6.57 4.54 0.00 1.37 1.50 1.01 0.89 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 14 I 8.21 3.94 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 1.20 0.63 0.91 0.00 0.00 *18 Y 8.12 4.01 0.00 2.12 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 0.00 0.00 0.00 19 P 0.00 4.60 0.00 1.99 1.97 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.58 0.00 20 V 8.39 3.77 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 0.93 0.00 0.00 0.93 0.00 0.00 21 S 7.99 4.55 0.00 4.00 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 22 F 7.88 4.08 0.00 3.01 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 23 T 7.69 4.39 4.16 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 1.18 0.00 0.00 24 K 8.48 3.96 0.00 1.79 1.88 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 25 E 7.99 3.92 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 2.31 1.97 0.00 26 Q 7.79 3.96 0.00 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 27 S 7.83 4.33 0.00 4.11 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 28 A 8.18 4.00 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 29 Q 8.20 3.91 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 30 A 8.46 4.21 1.63 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 31 A 8.37 3.99 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 32 Q 8.27 3.81 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 33 W 8.21 4.16 0.00 3.48 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 34 E 8.77 4.13 0.00 2.36 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 2.40 2.42 0.00 35 S 8.49 4.09 0.00 3.91 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 36 V 7.96 3.65 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 0.35 0.00 0.00 1.20 0.00 0.00 37 L 8.30 4.11 0.00 1.97 1.77 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 4.11 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 S 7.86 4.74 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 3.98 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 0.00 0.00 0.00 41 Q 8.04 4.76 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 42 I 7.99 4.01 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.93 0.98 0.00 0.00 43 Q 8.17 4.00 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 44 P 0.00 4.48 0.00 2.23 2.17 0.00 3.79 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 2.25 2.18 0.00 45 H 8.24 4.77 0.00 3.61 3.63 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.00 4.08 0.00 1.84 1.83 0.72 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.28 4.52 0.00 2.74 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 48 Q 8.13 4.03 0.00 2.18 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 49 L 8.82 3.91 0.00 1.88 1.86 -0.12 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.61 4.30 0.00 3.02 3.07 0.00 0.00 6.92 6.21 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 51 L 8.19 3.96 0.00 1.90 1.84 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.18 3.47 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 0.96 0.00 0.00 1.18 0.00 0.00 53 L 7.80 4.37 0.00 1.53 1.61 0.02 0.61 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 54 R 7.51 3.70 0.00 1.69 1.97 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.00 55 D 7.35 4.73 0.00 2.51 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 56 N 7.78 4.95 0.00 2.70 2.77 0.00 0.00 6.89 8.07 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 57 T 8.71 3.50 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 0.25 0.00 0.00 58 F 7.31 5.21 0.00 3.18 3.31 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 59 I 9.10 3.43 1.75 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.41 0.26 0.00 0.00 60 V 7.81 4.27 2.34 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 1.01 0.00 0.00 1.12 0.00 0.00 61 S 8.02 3.81 0.00 4.08 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 62 T 8.00 4.67 4.40 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 1.59 0.00 0.00 63 L 8.38 4.37 0.00 1.52 1.66 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.56 5.08 0.00 2.83 2.54 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 65 P 0.00 3.90 0.00 1.76 1.54 0.00 3.30 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 66 T 8.73 4.53 4.20 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 1.29 0.00 0.00 67 S 8.33 4.03 0.00 3.89 4.09 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 68 T 7.93 3.93 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 1.31 0.00 0.00 69 D 7.78 4.70 0.00 2.98 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 70 V 7.66 3.62 2.10 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 1.06 0.00 0.00 0.86 0.00 0.00 71 H 8.60 4.42 0.00 3.35 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.22 3.57 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 0.83 0.00 0.00 0.91 0.00 0.00 73 F 8.91 4.27 0.00 2.72 3.20 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 74 E 8.17 3.71 0.00 2.28 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 0.00 2.29 2.36 0.00 75 V 7.40 3.88 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 0.98 0.00 0.00 0.95 0.00 0.00 76 A 8.62 4.03 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 77 L 7.66 3.67 0.00 0.88 1.08 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.17 0.00 2.24 2.21 0.00 3.60 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 79 L 7.45 3.85 0.00 1.92 1.74 0.89 0.94 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 80 I 7.98 3.51 1.81 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.74 0.00 0.00 81 K 8.31 3.97 0.00 1.95 1.84 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.57 7.81 82 D 7.97 4.58 0.00 2.71 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 83 L 7.68 4.17 0.00 1.75 1.80 0.69 0.99 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 84 V 8.10 3.85 2.34 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 1.20 0.00 0.00 1.05 0.00 0.00 85 A 8.29 4.10 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 86 S 7.51 4.68 0.00 4.03 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 87 S 7.25 4.45 0.00 4.07 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 88 K 8.52 4.13 0.00 1.79 1.92 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.38 7.81 89 D 7.64 4.35 0.00 2.75 2.50 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 90 V 8.35 3.78 2.03 0.00 0.00 0.00 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 0.98 0.00 0.00 91 K 7.98 3.90 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.51 7.81 92 S 8.49 4.14 0.00 4.13 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 93 T 7.64 3.99 4.69 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 1.46 0.00 0.00 94 Y 8.55 4.17 0.00 2.98 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 95 T 8.05 3.95 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 1.20 0.00 0.00 96 T 7.38 4.02 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 0.61 0.00 0.00 97 Y 7.42 4.93 0.00 2.99 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 98 R 8.25 3.95 0.00 1.50 1.89 0.00 3.29 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.63 0.00 99 H 7.87 4.46 0.00 3.33 3.42 0.00 5.63 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 0.00 100 I 7.88 3.89 2.11 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 1.61 0.63 1.10 0.00 0.00 101 L 8.13 4.13 0.00 1.89 1.70 0.53 0.35 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 0.00 102 R 8.05 3.96 0.00 1.99 2.23 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 103 W 8.25 4.29 0.00 3.35 3.42 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 0.00 104 I 8.68 3.63 2.16 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 1.57 1.00 1.00 0.00 0.00 105 D 8.47 4.34 0.00 2.94 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 0.00 106 Y 8.10 3.86 0.00 3.20 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 0.00 107 M 8.35 3.73 0.00 0.51 0.75 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.86 0.00 108 Q 8.36 3.95 0.00 2.37 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 109 N 7.71 4.18 0.00 2.66 2.72 0.00 0.00 6.49 7.15 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 0.00 110 L 7.52 3.59 0.00 1.05 1.53 0.76 0.91 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 0.00 111 L 7.64 4.28 0.00 1.56 1.58 0.60 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.67 3.71 0.00 2.09 1.97 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 2.18 2.14 0.00 113 V 7.67 3.74 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 0.81 0.00 0.00 1.10 0.00 0.00 114 S 8.42 4.34 0.00 4.08 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 0.00 115 S 8.68 4.08 0.00 3.86 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 0.00 116 T 7.76 4.02 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 1.20 0.00 0.00 117 D 7.75 4.51 0.00 2.72 2.68 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 0.00 118 K 7.49 4.24 0.00 1.91 1.77 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.67 7.81 119 L 8.69 4.29 0.00 1.55 1.57 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.87 3.81 0.00 2.04 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 2.34 2.29 0.00 121 I 8.51 3.62 1.94 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 1.38 0.88 1.10 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.