NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3354 8.4449 118.7986 55.9348 31.7685 176.0817 4 M 3.9959 8.0470 119.9938 55.0754 32.4644 173.8450 5 Q 4.6366 8.5759 122.0135 53.9435 31.9124 174.6773 6 D 4.5345 8.4870 122.1533 53.8660 42.0722 174.8818 7 Y 4.1833 8.5485 127.4105 57.0552 39.3900 174.6688 8 K 4.1551 7.7060 127.1449 54.8687 32.5239 176.2361 9 Q 4.1703 8.3481 125.9532 55.8557 29.7661 174.8947 10 S 4.5875 7.9100 117.0064 56.8543 65.7076 174.0224 11 L 3.9632 8.1834 121.1698 54.7534 41.8244 176.5095 12 K 4.2588 7.7144 119.7574 54.9382 35.6404 175.4618 13 Y 4.8808 7.7750 114.8566 57.8861 40.0172 177.4078 14 E 3.7053 8.5339 119.1345 56.9434 27.3951 174.2166 15 T 3.9272 8.3127 120.7327 66.1346 69.0763 174.5336 16 F 4.4049 8.9324 123.4102 57.8089 36.7598 176.3526 17 S 4.5662 8.3273 114.6482 60.0967 63.1052 174.4684 18 Y 4.2902 8.2619 117.6148 58.4137 38.1642 174.9510 19 L 4.7793 7.4656 119.8821 51.8997 44.0001 174.5466 20 P 4.4049 0.0000 0.0000 62.0461 31.8132 175.0540 21 P 4.4324 0.0000 0.0000 63.0346 31.8917 176.1337 22 M 4.2478 8.4221 121.2985 54.8982 32.9434 177.0146 23 N 4.7374 8.4317 120.9195 51.6900 40.5325 175.8069 24 A 3.9968 8.4359 121.0263 55.4104 18.3541 179.1839 25 E 3.8685 8.1424 117.1400 59.6726 29.6829 179.1980 26 R 3.8952 8.3863 117.9940 59.1933 30.0958 179.1848 27 I 3.9124 7.9129 119.6991 64.4983 37.0882 178.6216 28 R 3.9904 8.5164 119.1697 59.2927 29.8869 179.0117 29 A 4.0322 8.0278 120.4384 55.1870 18.3562 179.7592 30 Q 4.1603 8.0469 116.4063 59.1539 28.7919 178.9299 31 I 3.8703 8.0755 120.9035 64.3447 37.1985 178.3628 32 K 3.9565 8.3758 120.5700 59.5088 32.0901 177.9527 33 Y 4.1496 8.2232 119.6007 60.8494 38.7392 178.0780 34 A 3.7991 8.2102 121.3630 55.3275 18.5741 179.6463 35 I 3.6712 7.9938 118.0572 64.5115 36.9463 178.5968 36 A 3.9835 7.8009 120.4898 54.6615 18.2620 178.8303 37 Q 3.7298 7.0149 114.2388 55.8068 28.7333 176.9577 38 G 3.9105 7.5500 108.2757 45.3215 0.0000 173.5971 39 W 5.1355 7.5850 118.6869 56.0069 30.7617 176.1873 40 S 4.8503 8.9415 118.8898 56.4380 64.0318 172.3701 41 P 5.0336 0.0000 0.0000 62.9899 32.5497 175.7752 42 G 4.5848 9.3605 108.9513 44.8828 0.0000 171.3538 43 I 5.3206 8.5058 120.9892 59.4262 40.9290 174.5065 44 E 5.5851 9.3100 124.6917 55.2031 34.3146 174.1851 45 H 6.2474 9.4926 115.8280 54.6881 32.6303 172.4838 46 V 4.5835 7.7417 116.9733 60.4780 34.3343 172.7742 47 E 4.0660 8.3862 121.2149 56.3077 30.2451 178.3411 48 V 3.4621 8.4726 121.9263 66.1848 31.2889 178.6247 49 K 4.1329 7.9874 116.1724 58.9202 32.5961 177.6161 50 N 4.7966 7.6990 117.2374 53.1270 38.7540 176.3330 51 S 3.9251 7.5769 117.5306 61.7473 62.4822 175.1237 52 M 4.3485 7.9587 118.4685 56.2936 32.2084 176.1720 53 N 4.2912 7.9505 116.7163 53.8769 39.2231 175.2274 54 Q 3.8129 8.7315 121.2244 58.0512 28.9859 175.7955 55 Y 4.7148 7.6492 115.0023 56.0439 39.0485 175.1599 56 W 4.6268 8.6741 124.6991 55.3211 31.4455 176.0590 57 Y 4.2896 8.0800 119.7589 58.3795 38.2243 175.4532 58 M 4.6236 8.8088 124.8651 55.1650 33.3511 175.1934 59 W 4.6664 9.1649 135.0000 56.1110 31.1274 176.7958 60 K 3.2585 8.4261 129.0914 57.6875 30.3608 176.5540 61 L 4.7164 7.7745 126.1920 52.6178 45.1963 174.0985 62 P 3.9129 0.0000 0.0000 62.8677 31.4348 177.5292 63 F 4.5767 8.3433 121.4696 56.1177 37.4270 174.5087 64 F 4.4777 7.9109 121.7067 58.2086 39.6625 176.1256 65 G 3.9628 9.1164 112.0829 45.8290 0.0000 172.9692 66 E 4.1476 7.9939 120.8729 56.1722 29.7860 176.4540 67 Q 4.3845 8.7000 123.9053 55.6863 29.9143 175.0269 68 N 4.6508 8.5923 118.4392 51.8689 38.6991 175.2490 69 V 3.6301 8.4238 126.3621 66.3175 31.5621 177.3478 70 D 4.3772 8.1626 117.9692 57.2685 40.6373 178.1438 71 N 4.2213 8.3672 117.7254 56.4975 38.9511 177.1194 72 V 3.1418 7.2988 118.8717 65.8075 31.6257 177.7144 73 L 3.9414 7.8693 119.8306 58.1573 41.8532 178.7373 74 A 4.0197 8.2097 120.8047 55.2843 18.1915 179.5057 75 E 4.1404 8.1648 117.1356 59.3602 29.5539 179.5249 76 I 3.6111 7.8142 120.0219 64.5149 37.2207 178.3375 77 E 3.9120 8.1795 119.1379 59.2104 29.2232 179.3210 78 A 3.9540 8.0956 121.0489 55.1067 18.4569 179.1707 79 C 2.4500 7.5709 117.4821 61.8524 31.0308 175.5824 80 R 3.8287 7.6521 120.1640 59.8230 29.3779 178.6261 81 S 4.0356 7.7279 113.1199 61.4751 62.8239 176.2708 82 A 3.9931 7.5297 122.7464 53.7604 19.7395 177.3670 83 Y 4.5539 7.7369 114.1340 55.6916 38.2465 174.5243 84 P 4.5111 0.0000 0.0000 64.4237 32.2355 178.1822 85 T 4.4450 7.8774 108.1420 62.3473 69.6919 174.0119 86 H 4.8876 8.0248 119.8336 55.1864 30.0558 175.4142 87 Q 4.2381 8.5568 120.5165 56.1469 30.0462 175.5340 88 V 5.1503 8.7958 122.2667 61.0905 34.8575 174.0099 89 K 4.9158 9.5550 129.1367 54.4568 35.3035 174.0682 90 L 4.9452 8.1724 128.8951 53.6152 44.0214 175.5497 91 V 4.9625 8.7828 118.2351 59.4913 36.5921 174.5272 92 A 4.9958 8.3191 122.7196 50.7761 22.2803 175.1799 93 Y 4.4332 9.2780 121.8191 58.1029 39.6767 174.6022 94 D 5.2062 8.9351 124.9819 52.3240 41.8051 176.3459 95 N 4.4007 8.7983 125.1160 55.8289 37.8411 177.3002 96 Y 4.1840 7.9800 115.6367 60.6205 38.1311 176.5456 97 A 4.2222 8.1943 120.4485 52.3027 19.5428 176.7829 98 Q 3.3780 7.4270 113.5057 56.5493 26.8779 171.6482 99 S 4.5514 7.8278 110.6594 57.4187 67.1535 172.2417 100 L 4.6278 8.0807 120.0824 52.8176 42.3382 177.6466 101 G 2.0332 7.6953 111.8958 48.1500 0.0000 173.4658 102 L 4.9454 7.2403 120.1674 53.8942 46.0172 174.6292 103 A 5.1325 8.4372 123.9092 51.1230 22.0255 175.4832 104 F 4.8887 8.7168 116.5839 55.7882 41.9641 173.6652 105 V 4.2702 8.5453 120.4331 62.1738 31.9413 176.0898 106 V 3.9947 8.7856 128.5236 64.9163 31.9674 175.5629 107 Y 4.9409 7.7356 120.1485 55.8151 40.8400 175.6954 108 R 3.4725 8.3508 124.8488 56.3852 30.5022 177.3119 109 G 3.3924 5.3800 105.2585 45.7427 0.0000 173.9939 *110 N 4.1356 8.0609 114.5337 53.0252 39.4474 173.6498 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 E 8.44 4.34 0.00 2.10 2.16 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 2.18 2.35 0.00 4 M 8.05 4.00 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 5 Q 8.58 4.64 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 6 D 8.49 4.53 0.00 2.66 2.57 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 7 Y 8.55 4.18 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 8 K 7.71 4.16 0.00 1.50 1.59 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.26 7.81 9 Q 8.35 4.17 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 10 S 7.91 4.59 0.00 3.93 3.70 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 0.00 0.00 0.00 0.00 11 L 8.18 3.96 0.00 1.52 1.29 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.71 4.26 0.00 1.60 1.63 0.00 0.95 0.00 0.00 1.42 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.99 7.81 13 Y 7.78 4.88 0.00 2.96 2.99 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 14 E 8.53 3.71 0.00 2.19 1.86 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 2.30 2.24 0.00 15 T 8.31 3.93 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 0.18 0.00 0.00 16 F 8.93 4.40 0.00 3.23 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 17 S 8.33 4.57 0.00 4.32 4.28 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 18 Y 8.26 4.29 0.00 2.98 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 19 L 7.47 4.78 0.00 1.80 1.59 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.40 0.00 2.04 2.00 0.00 3.70 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 2.03 2.13 0.00 21 P 0.00 4.43 0.00 2.07 2.05 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 22 M 8.42 4.25 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 23 N 8.43 4.74 0.00 2.99 2.97 0.00 0.00 6.13 7.26 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 24 A 8.44 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 25 E 8.14 3.87 0.00 2.04 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 0.00 2.36 2.40 0.00 26 R 8.39 3.90 0.00 2.08 1.83 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 27 I 7.91 3.91 2.08 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 1.79 1.17 1.06 0.00 0.00 28 R 8.52 3.99 0.00 2.04 2.01 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 29 A 8.03 4.03 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 30 Q 8.05 4.16 0.00 2.50 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.11 0.00 31 I 8.08 3.87 2.07 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 1.51 0.90 0.97 0.00 0.00 32 K 8.38 3.96 0.00 1.94 2.04 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 33 Y 8.22 4.15 0.00 3.11 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 34 A 8.21 3.80 1.65 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 0.00 0.00 35 I 7.99 3.67 2.01 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 1.52 1.09 0.99 0.00 0.00 36 A 7.80 3.98 1.29 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 0.00 0.00 37 Q 7.01 3.73 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.96 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 38 G 7.55 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 39 W 7.58 5.14 0.00 3.47 3.12 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 0.00 40 S 8.94 4.85 0.00 3.93 3.66 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 41 P 0.00 5.03 0.00 2.37 2.14 0.00 3.92 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 42 G 9.36 4.58 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 0.00 0.00 0.00 43 I 8.51 5.32 2.29 0.00 0.00 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 1.49 1.07 0.99 0.00 0.00 44 E 9.31 5.59 0.00 2.07 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 0.00 2.27 2.14 0.00 45 H 9.49 6.25 0.00 3.38 3.47 0.00 5.77 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.74 4.58 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 -1.15 0.00 0.00 0.38 0.00 0.00 47 E 8.39 4.07 0.00 1.96 1.81 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 2.38 2.22 0.00 48 V 8.47 3.46 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 1.08 0.00 0.00 0.83 0.00 0.00 49 K 7.99 4.13 0.00 1.92 1.90 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.48 7.81 50 N 7.70 4.80 0.00 2.61 2.65 0.00 0.00 6.44 7.31 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 51 S 7.58 3.93 0.00 4.03 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 52 M 7.96 4.35 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 53 N 7.95 4.29 0.00 2.83 3.09 0.00 0.00 6.97 7.31 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 54 Q 8.73 3.81 0.00 1.62 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 55 Y 7.65 4.71 0.00 2.99 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 56 W 8.67 4.63 0.00 3.24 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 57 Y 8.08 4.29 0.00 2.71 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 58 M 8.81 4.62 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 59 W 9.16 4.67 0.00 3.61 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 60 K 8.43 3.26 0.00 1.61 1.00 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.70 0.21 7.81 61 L 7.77 4.72 0.00 1.41 1.39 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 3.91 0.00 0.49 1.42 0.00 3.42 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 63 F 8.34 4.58 0.00 3.14 2.99 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 64 F 7.91 4.48 0.00 3.06 2.90 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 65 G 9.12 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 66 E 7.99 4.15 0.00 2.09 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 0.00 2.28 2.34 0.00 67 Q 8.70 4.38 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 68 N 8.59 4.65 0.00 2.70 2.82 0.00 0.00 6.69 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 69 V 8.42 3.63 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 1.04 0.00 0.00 0.96 0.00 0.00 70 D 8.16 4.38 0.00 2.86 2.70 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 0.00 0.00 0.00 0.00 71 N 8.37 4.22 0.00 2.81 2.84 0.00 0.00 6.78 7.75 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 72 V 7.30 3.14 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 0.93 0.00 0.00 0.80 0.00 0.00 73 L 7.87 3.94 0.00 1.83 1.79 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.21 4.02 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 75 E 8.16 4.14 0.00 2.17 2.44 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 2.47 2.24 0.00 76 I 7.81 3.61 2.03 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 1.53 1.09 0.90 0.00 0.00 77 E 8.18 3.91 0.00 2.12 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 2.29 2.29 0.00 78 A 8.10 3.95 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 0.00 0.00 79 C 7.57 2.45 0.00 1.23 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 80 R 7.65 3.83 0.00 1.94 2.01 0.00 3.06 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 81 S 7.73 4.04 0.00 3.96 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 82 A 7.53 3.99 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 83 Y 7.74 4.55 0.00 2.75 2.43 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 84 P 0.00 4.51 0.00 2.16 2.13 0.00 3.27 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 1.96 1.86 0.00 85 T 7.88 4.45 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 1.26 0.00 0.00 86 H 8.02 4.89 0.00 3.27 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.56 4.24 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 88 V 8.80 5.15 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 1.06 0.00 0.00 1.10 0.00 0.00 89 K 9.56 4.92 0.00 1.41 1.27 0.00 1.10 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.06 7.81 90 L 8.17 4.95 0.00 1.46 0.62 0.99 1.19 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 91 V 8.78 4.96 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 0.39 0.00 0.00 0.57 0.00 0.00 92 A 8.32 5.00 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 93 Y 9.28 4.43 0.00 3.01 2.90 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 94 D 8.94 5.21 0.00 1.79 2.39 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 95 N 8.80 4.40 0.00 2.73 2.98 0.00 0.00 6.19 7.57 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 96 Y 7.98 4.18 0.00 3.11 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 97 A 8.19 4.22 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 98 Q 7.43 3.38 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 99 S 7.83 4.55 0.00 3.79 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 0.00 100 L 8.08 4.63 0.00 1.28 1.38 0.60 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.24 4.95 0.00 2.08 1.69 1.50 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.44 5.13 1.01 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 0.00 104 F 8.72 4.89 0.00 3.32 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 0.00 105 V 8.55 4.27 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 0.82 0.00 0.00 1.11 0.00 0.00 106 V 8.79 3.99 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 0.87 0.00 0.00 0.80 0.00 0.00 107 Y 7.74 4.94 0.00 2.92 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 0.00 108 R 8.35 3.47 0.00 1.46 1.10 0.00 3.11 0.00 0.00 2.92 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 109 G 5.38 3.39 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 0.00 *110 N 8.06 4.14 0.00 2.66 2.51 0.00 0.00 6.87 8.90 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 * Residues marked with a * may have inaccurate shift predictions.