NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8389 8.3544 109.7283 45.3122 0.0000 173.5442 2 Q 3.6882 7.8340 120.4729 54.6953 29.9424 175.0001 3 S 5.0996 9.2276 123.1557 58.4298 64.7341 173.3540 4 I 4.8558 8.1901 124.0584 59.8540 40.8975 173.9067 5 M 4.8303 9.0517 128.0781 55.3465 33.3502 175.6525 6 T 4.8256 9.1400 121.9490 62.0778 72.5840 173.0625 7 V 4.7516 9.1776 127.4206 61.9419 32.9992 175.2794 8 R 4.9949 9.1227 125.0697 54.6505 34.3835 174.4424 9 T 4.9157 8.2190 110.6383 60.2716 71.1734 175.0062 10 T 4.0228 9.0392 117.1538 63.7259 69.2974 174.2269 11 H 4.8629 7.5812 115.7233 54.0388 31.6060 173.4868 12 T 4.4463 8.4872 113.6112 62.9245 70.0892 173.8942 13 E 5.2399 7.8291 118.5115 55.5141 32.4969 174.8093 14 V 4.6109 8.9301 113.7370 59.8028 36.4398 173.9136 15 E 5.3072 8.6752 123.4729 54.6609 32.6209 175.0110 16 V 4.5218 8.4534 123.5954 60.5414 35.5060 173.5173 17 H 4.8197 8.6729 118.4052 55.2316 30.0688 175.0497 18 A 4.3445 8.5399 124.4056 53.7925 18.7564 178.2840 19 G 3.9239 9.3981 111.2146 45.0444 0.0000 173.8903 20 G 4.0127 7.9033 107.2823 45.7663 0.0000 172.3683 21 T 5.2565 8.2694 115.9722 61.6231 70.6612 174.7897 22 V 4.5302 8.6590 124.3653 59.9218 35.3250 174.0567 23 E 4.9259 8.6156 120.5597 54.5843 32.7269 175.7717 24 L 4.4896 8.5004 124.1276 52.1219 43.3381 174.2247 25 P 5.0638 0.0000 0.0000 62.5253 32.1937 176.6542 26 C 5.2847 8.6103 121.4760 55.6787 46.7249 172.7987 27 S 5.1478 9.3644 119.7688 57.1610 66.7011 171.9147 28 Y 5.4236 8.0171 116.8132 56.1673 40.9685 173.8883 29 Q 4.5441 9.4674 118.7702 54.0501 33.0667 174.3471 30 L 5.1495 8.7418 124.8438 53.1127 44.0858 175.3437 31 A 4.1328 9.0369 129.6570 52.1318 19.7595 177.1161 32 N 4.1440 9.0538 118.1820 53.6475 36.1005 174.2531 33 D 4.4571 8.0038 117.7478 53.8205 43.0997 174.5752 34 T 4.4083 8.4474 116.3992 61.7582 69.6574 175.1272 35 Q 4.2096 8.2269 122.6697 54.9201 29.2842 174.3315 36 P 4.0953 0.0000 0.0000 62.2387 31.8911 174.7359 37 P 4.9251 0.0000 0.0000 61.9026 34.2391 174.6575 38 V 4.7542 8.8685 118.6436 60.4376 34.2982 174.5694 39 I 4.9245 8.9595 125.9173 59.8493 39.3830 174.8277 40 S 5.2458 9.1156 122.5046 56.5835 66.8092 172.8453 41 W 5.3172 9.5638 124.5264 55.0734 31.5577 175.0312 42 L 5.1601 9.1387 124.1299 52.8614 45.1859 175.2130 43 K 4.6321 9.7499 126.1381 53.9546 34.4356 176.1729 44 G 4.3684 8.6006 113.2111 45.9972 0.0000 172.4517 45 A 4.2186 8.5550 122.4238 54.9063 18.4859 177.6901 46 S 4.0030 7.2416 105.8442 55.8319 66.2699 172.3233 47 P 3.9001 0.0000 0.0000 65.5148 31.0164 177.8407 48 D 4.3926 7.6261 116.1480 56.1129 41.6102 177.1944 49 R 4.5901 7.2625 120.4776 53.9850 28.3757 175.0116 50 S 4.8368 7.6316 114.9233 57.5762 66.9240 174.1832 51 T 4.7193 8.7445 114.5009 59.8401 70.2818 173.1732 52 K 4.3082 8.6274 126.6620 56.9966 32.5079 176.2964 53 V 4.1314 9.0928 124.6133 64.2135 33.2499 175.1243 54 F 5.5607 8.1321 121.0116 56.8742 43.1327 172.3853 55 K 5.0952 8.2583 124.9643 55.1418 36.0836 174.9989 56 G 4.3480 9.0675 111.6370 46.0987 0.0000 171.6013 57 N 5.2989 8.8938 116.3079 51.5203 40.8304 173.8418 58 Y 4.6354 8.3928 118.8100 58.5387 38.6852 175.5983 59 N 5.1339 8.9975 120.1128 52.1389 40.0887 175.1596 60 W 4.3948 9.2821 131.5559 57.7100 31.6173 175.3892 61 Q 4.0137 9.4835 125.3658 55.6347 30.3227 175.2181 62 G 3.6555 6.2960 107.0351 43.7120 0.0000 173.6647 *63 E 4.4815 8.2303 117.6328 54.8965 28.6721 175.8190 64 G 3.2400 7.3557 106.5369 47.1745 0.0000 176.0527 *65 L 4.5609 6.7388 119.9330 53.3073 41.1168 178.2108 66 G 3.5262 6.8153 110.9768 41.7225 0.0000 172.6781 67 F 4.4069 7.7512 119.4409 56.9515 39.7191 175.3460 68 V 4.3710 8.0701 122.4713 60.8015 33.6350 175.8230 69 E 4.3320 9.2787 128.9919 59.4406 29.6330 177.9818 70 S 4.3644 8.1914 111.4966 59.9578 63.8040 173.8289 71 D 4.9877 8.1597 122.4210 51.7028 40.2350 174.0701 72 S 5.1684 7.7562 115.2008 56.8453 66.7871 173.4187 73 Y 4.7383 8.9646 122.9100 56.5997 40.1048 174.5214 74 K 4.3191 7.9921 124.9111 54.6361 36.3044 175.2420 75 E 4.3910 7.7681 125.0567 54.4894 33.2651 173.9157 76 S 5.3392 8.3023 120.3488 56.7758 65.8479 173.1052 77 F 4.8261 8.7394 119.0519 55.8760 43.0627 176.1182 78 G 3.8108 9.1109 109.0458 46.9383 0.0000 176.2773 79 D 4.3431 8.7499 122.7207 56.0354 40.8888 176.6845 80 F 4.5786 8.2384 117.6156 57.1073 39.6658 175.5671 81 L 4.0830 7.6436 124.0899 56.3855 42.0830 177.4238 82 G 4.0300 8.7478 113.6611 45.7437 0.0000 173.7805 83 R 4.7391 8.5950 117.0839 54.7954 33.1543 175.2942 84 A 5.2954 8.1238 120.4006 50.1569 21.1024 176.0773 85 S 4.5721 8.7466 115.4161 56.8704 67.2637 173.4737 86 V 4.3922 7.7145 119.8573 60.9947 32.7100 175.1156 87 A 4.0243 8.7417 132.1139 54.3783 18.7777 176.4126 88 N 5.2084 7.7955 113.5365 51.7974 40.4646 174.6468 89 L 4.0450 9.1542 126.9808 57.3202 41.7683 178.7907 90 A 4.6035 8.4361 119.7129 53.9984 19.1545 177.7984 91 A 4.7965 8.1534 119.0688 50.4407 19.7163 174.7018 92 P 4.9635 0.0000 0.0000 61.6047 32.4246 178.2007 93 T 4.2615 8.1570 115.5254 65.5829 70.0228 174.1590 94 L 4.2800 8.2203 128.1443 53.7262 43.7765 174.9111 95 R 4.8208 8.5158 126.7947 54.3464 32.5645 174.1263 96 L 5.1605 8.7280 128.6564 53.5109 44.6416 175.6563 97 T 4.6359 8.9152 116.6859 59.7718 71.8435 173.7299 98 H 4.1070 8.3531 116.1792 56.5633 26.4671 176.1830 99 V 3.8771 7.9197 118.7810 63.6613 32.3597 174.7565 100 H 4.9774 9.6807 124.5238 53.8429 30.3398 174.3505 101 P 4.0754 0.0000 0.0000 66.1270 31.1116 178.1095 102 Q 4.5068 7.9293 112.9050 56.2666 28.7106 176.4441 103 D 4.7492 8.2756 119.1350 56.0345 41.1689 177.2990 104 G 3.9257 7.7794 108.8759 45.1652 0.0000 174.7399 105 G 3.7759 7.2774 108.2544 45.2392 0.0000 171.1869 106 R 4.8483 8.0890 122.3421 54.7126 33.2177 175.0644 107 Y 5.0591 8.9978 124.3444 56.1375 40.8209 174.6618 108 W 4.8955 9.6998 125.5063 55.5255 31.3364 174.7335 109 C 3.4317 8.8098 126.3485 55.0544 43.0722 171.7438 110 Q 5.1557 8.6323 128.8109 54.1830 31.4875 174.3013 111 V 4.8149 8.5959 125.2956 61.0711 34.8214 174.0106 112 A 5.2221 8.7650 127.9575 50.0325 23.0952 175.3889 113 Q 4.2655 9.0613 119.6435 56.1057 29.5785 178.4055 114 W 4.2944 9.0663 121.9803 59.1437 29.3394 176.4027 115 S 4.6502 8.0325 112.4865 56.4314 63.2711 174.0456 116 I 4.1898 8.0762 130.0314 60.2798 35.4756 176.7253 117 R 3.9636 8.4302 124.2468 58.5934 30.6731 176.7694 118 T 4.7907 7.4103 103.9903 59.5079 72.0081 174.4484 119 E 4.0172 8.5220 119.1565 58.7081 29.7736 178.2862 120 F 4.3326 8.1132 118.8491 59.8091 39.1847 176.6504 121 G 4.3495 8.2649 108.3037 44.6753 0.0000 172.8890 122 L 5.1731 7.5205 120.4016 53.2092 45.4443 174.4353 123 D 4.9701 8.7258 122.4600 53.2681 45.4127 173.4702 124 A 5.7587 8.1531 121.2176 51.6355 22.1197 175.7598 125 K 4.9509 8.6812 118.9602 54.7726 37.0191 175.3367 126 S 4.7434 8.1170 116.1839 56.3861 65.5934 173.4131 127 V 4.4990 8.6004 121.5179 61.0890 34.2483 174.7254 128 V 4.3198 8.7628 128.7279 62.6348 33.1266 174.2597 129 L 4.9984 9.2277 130.1749 53.4758 44.1175 174.8865 130 K 4.7806 9.0118 126.9529 55.0716 34.2144 175.7512 131 V 4.7208 8.7913 126.0541 61.1987 32.9844 175.3897 132 T 3.9512 8.5369 126.1241 65.3754 68.6480 175.0240 133 G 3.9440 9.0868 113.6056 46.0313 0.0000 172.9334 134 H 4.6534 7.9291 113.7622 57.5875 31.4454 173.5544 135 T 4.1143 8.1510 119.0116 63.8561 68.1689 174.2630 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 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 7.83 3.69 0.00 1.80 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.86 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 3 S 9.23 5.10 0.00 3.82 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 4 I 8.19 4.86 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.81 1.05 0.00 0.00 5 M 9.05 4.83 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 6 T 9.14 4.83 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 1.27 0.00 0.00 7 V 9.18 4.75 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 0.79 0.00 0.00 1.00 0.00 0.00 8 R 9.12 4.99 0.00 1.78 1.78 0.00 3.14 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 9 T 8.22 4.92 4.46 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 0.00 0.00 0.00 1.29 0.00 0.00 10 T 9.04 4.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 11 H 7.58 4.86 0.00 3.13 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.49 4.45 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 13 E 7.83 5.24 0.00 1.95 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 2.19 2.35 0.00 14 V 8.93 4.61 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 0.64 0.00 0.00 0.83 0.00 0.00 15 E 8.68 5.31 0.00 1.90 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 0.00 2.11 2.44 0.00 16 V 8.45 4.52 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 0.59 0.00 0.00 0.90 0.00 0.00 17 H 8.67 4.82 0.00 3.18 3.23 0.00 5.82 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 18 A 8.54 4.34 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 19 G 9.40 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.90 4.01 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 0.00 21 T 8.27 5.26 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 1.14 0.00 0.00 22 V 8.66 4.53 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 0.76 0.00 0.00 0.81 0.00 0.00 23 E 8.62 4.93 0.00 1.72 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 0.00 2.05 2.18 0.00 24 L 8.50 4.49 0.00 0.87 1.51 0.43 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 5.06 0.00 2.01 2.03 0.00 3.75 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 26 C 8.61 5.28 0.00 3.21 3.18 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 27 S 9.36 5.15 0.00 3.86 3.94 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 28 Y 8.02 5.42 0.00 3.08 2.96 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 29 Q 9.47 4.54 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 30 L 8.74 5.15 0.00 1.86 1.80 0.99 1.20 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 31 A 9.04 4.13 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 32 N 9.05 4.14 0.00 3.00 2.91 0.00 0.00 6.74 8.06 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 33 D 8.00 4.46 0.00 2.58 2.55 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 34 T 8.45 4.41 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 35 Q 8.23 4.21 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 36 P 0.00 4.10 0.00 2.09 1.11 0.00 3.53 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 37 P 0.00 4.93 0.00 1.99 2.08 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 38 V 8.87 4.75 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 0.93 0.00 0.00 1.03 0.00 0.00 39 I 8.96 4.92 2.05 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 1.32 0.53 1.10 0.00 0.00 40 S 9.12 5.25 0.00 3.68 3.73 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 41 W 9.56 5.32 0.00 3.44 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 42 L 9.14 5.16 0.00 1.69 1.55 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.75 4.63 0.00 1.27 1.54 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.11 0.42 7.81 44 G 8.60 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 0.00 0.00 0.00 0.00 45 A 8.56 4.22 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 46 S 7.24 4.00 0.00 3.57 3.65 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 47 P 0.00 3.90 0.00 1.69 2.02 0.00 2.83 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.00 48 D 7.63 4.39 0.00 2.52 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.26 4.59 0.00 1.67 1.84 0.00 3.11 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 50 S 7.63 4.84 0.00 3.92 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 51 T 8.74 4.72 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 1.38 0.00 0.00 52 K 8.63 4.31 0.00 1.38 1.24 0.00 1.43 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.17 1.23 7.81 53 V 9.09 4.13 2.33 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 0.66 0.00 0.00 0.47 0.00 0.00 54 F 8.13 5.56 0.00 3.23 3.03 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 55 K 8.26 5.10 0.00 1.91 1.75 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.55 7.81 56 G 9.07 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 57 N 8.89 5.30 0.00 3.18 3.08 0.00 0.00 7.38 7.76 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 58 Y 8.39 4.64 0.00 2.60 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 59 N 9.00 5.13 0.00 3.07 2.97 0.00 0.00 6.91 7.29 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 60 W 9.28 4.39 0.00 3.49 3.40 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 61 Q 9.48 4.01 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 62 G 6.30 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 0.00 0.00 0.00 *63 E 8.23 4.48 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.89 0.00 64 G 7.36 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 0.00 0.00 0.00 *65 L 6.74 4.56 0.00 1.61 1.45 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 G 6.82 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.41 0.00 2.16 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 68 V 8.07 4.37 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 1.09 0.00 0.00 0.98 0.00 0.00 69 E 9.28 4.33 0.00 2.14 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 2.48 2.49 0.00 70 S 8.19 4.36 0.00 4.07 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 71 D 8.16 4.99 0.00 2.83 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 72 S 7.76 5.17 0.00 4.01 3.92 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 0.00 0.00 0.00 73 Y 8.96 4.74 0.00 3.01 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 74 K 7.99 4.32 0.00 1.54 1.70 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.40 7.81 75 E 7.77 4.39 0.00 1.50 1.16 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 1.47 1.75 0.00 76 S 8.30 5.34 0.00 4.12 4.10 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 77 F 8.74 4.83 0.00 3.37 3.02 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 78 G 9.11 3.81 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 0.00 0.00 0.00 79 D 8.75 4.34 0.00 2.07 2.25 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 80 F 8.24 4.58 0.00 3.42 3.16 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 0.00 81 L 7.64 4.08 0.00 1.77 1.59 0.88 1.07 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 82 G 8.75 4.03 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 83 R 8.59 4.74 0.00 1.94 2.17 0.00 3.37 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.41 0.00 84 A 8.12 5.30 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 85 S 8.75 4.57 0.00 3.79 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.71 4.39 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 0.79 0.00 0.00 -0.01 0.00 0.00 87 A 8.74 4.02 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 88 N 7.80 5.21 0.00 2.73 2.72 0.00 0.00 7.24 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 89 L 9.15 4.05 0.00 0.71 1.42 0.53 0.79 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 90 A 8.44 4.60 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.80 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 92 P 0.00 4.96 0.00 2.41 2.46 0.00 4.15 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 93 T 8.16 4.26 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 1.16 0.00 0.00 94 L 8.22 4.28 0.00 0.27 0.13 0.36 -0.25 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 95 R 8.52 4.82 0.00 1.73 1.59 0.00 3.13 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 96 L 8.73 5.16 0.00 1.50 1.28 1.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.92 4.64 4.13 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 0.00 0.00 1.17 0.00 0.00 98 H 8.35 4.11 0.00 3.34 3.39 0.00 5.71 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.92 3.88 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 0.99 0.00 0.00 100 H 9.68 4.98 0.00 3.20 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.08 0.00 2.07 1.70 0.00 3.55 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 2.00 1.88 0.00 102 Q 7.93 4.51 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 103 D 8.28 4.75 0.00 2.93 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 0.00 104 G 7.78 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 0.00 0.00 0.00 105 G 7.28 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 0.00 106 R 8.09 4.85 0.00 1.85 1.95 0.00 3.29 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.32 0.00 107 Y 9.00 5.06 0.00 3.25 3.23 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 0.00 0.00 0.00 0.00 108 W 9.70 4.90 0.00 3.36 3.13 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 0.00 0.00 0.00 109 C 8.81 3.43 0.00 1.24 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.63 5.16 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 111 V 8.60 4.81 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 0.06 0.00 0.00 0.74 0.00 0.00 112 A 8.77 5.22 1.20 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 0.00 0.00 113 Q 9.06 4.27 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 114 W 9.07 4.29 0.00 3.27 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 0.00 115 S 8.03 4.65 0.00 3.87 3.81 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 I 8.08 4.19 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.95 0.00 0.00 117 R 8.43 3.96 0.00 1.84 2.03 0.00 3.19 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 118 T 7.41 4.79 4.39 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 1.33 0.00 0.00 119 E 8.52 4.02 0.00 1.93 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 1.81 1.82 0.00 120 F 8.11 4.33 0.00 3.24 3.19 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 0.00 121 G 8.26 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 0.00 122 L 7.52 5.17 0.00 1.54 1.46 0.87 1.07 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 0.00 123 D 8.73 4.97 0.00 2.96 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 0.00 124 A 8.15 5.76 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 0.00 125 K 8.68 4.95 0.00 1.65 1.61 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 126 S 8.12 4.74 0.00 2.72 2.63 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 0.00 127 V 8.60 4.50 2.25 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 1.08 0.00 0.00 1.11 0.00 0.00 128 V 8.76 4.32 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 1.01 0.00 0.00 0.91 0.00 0.00 129 L 9.23 5.00 0.00 1.69 1.73 0.84 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 130 K 9.01 4.78 0.00 1.73 1.72 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.39 7.81 131 V 8.79 4.72 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 1.14 0.00 0.00 1.07 0.00 0.00 132 T 8.54 3.95 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 1.26 0.00 0.00 133 G 9.09 3.94 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 0.00 0.00 0.00 134 H 7.93 4.65 0.00 3.26 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.15 4.11 4.27 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.