NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.6346 8.5445 117.3693 54.4715 29.5453 174.2066 4 M 4.2606 8.3047 126.6209 53.6830 33.6819 171.4345 5 K 3.9614 9.2156 120.0299 61.2336 32.7045 177.6670 6 H 3.9332 8.1101 115.3859 59.4298 28.7833 177.5908 7 T 3.8603 7.8437 116.6133 66.8384 68.3073 176.3578 8 E 3.9737 8.1333 120.3558 59.0529 29.2818 179.3393 9 L 3.8444 8.3696 119.3898 57.9658 41.6535 179.8521 10 R 3.9666 7.9834 117.6433 58.9506 29.6690 178.8107 11 A 3.9223 7.8760 120.1098 55.3081 18.3942 178.9986 12 A 4.2998 7.8309 118.9582 55.8106 18.3737 180.0336 13 V 3.4645 7.4218 114.2155 65.9323 31.6681 178.0163 14 L 3.8170 8.4930 119.2488 58.0371 41.5149 179.2666 15 D 4.1645 9.0153 119.0119 57.2970 40.5790 178.4498 16 A 3.9561 7.5880 119.6195 55.5189 18.4034 179.2870 17 L 4.1589 7.7092 118.0017 58.4961 41.6928 180.0923 18 E 4.1225 7.4750 119.5172 60.9947 30.9925 182.1774 19 K 4.6203 7.7752 126.5384 54.9036 28.8220 178.0422 20 H 4.7152 8.3443 131.1089 57.1667 32.1078 174.8650 *23 G 3.9193 7.7576 109.9932 45.4598 0.0000 170.2634 24 A 4.5721 7.0458 119.6150 51.3680 23.1086 176.4869 25 T 4.1591 8.5583 112.9791 62.9261 69.7535 174.3301 26 F 5.3755 8.5921 125.7929 56.2817 40.5712 175.4161 27 F 4.7306 9.4278 121.9298 55.8430 42.0270 174.5326 28 D 4.8423 8.8973 123.9052 52.1652 39.7180 174.6142 29 G 4.2035 8.3319 108.7056 42.7711 0.0000 171.6206 30 R 3.5277 7.8665 122.0580 55.3692 30.2628 174.9117 31 P 4.0589 0.0000 0.0000 61.8599 31.9236 175.3752 32 A 4.0983 7.6536 124.2389 53.7741 19.7940 178.2137 33 V 4.3622 6.9419 110.5470 58.6959 34.7669 178.0347 34 F 4.6015 8.9513 126.1666 56.0443 40.6618 175.1003 35 D 5.1503 9.5654 122.4751 51.8563 43.2185 175.6866 36 E 3.9678 9.1272 118.2005 59.0060 29.8139 178.5482 37 A 4.3665 7.9816 119.4059 53.8718 18.6926 177.8115 38 D 4.5267 8.8116 116.0137 55.6660 41.2418 176.3179 39 F 4.7852 7.3514 117.5519 55.4262 40.5568 174.2275 40 P 4.6025 0.0000 0.0000 62.3760 32.7104 175.0304 41 A 5.2106 8.3158 124.1230 50.1274 22.4378 175.4248 42 V 4.9773 9.0841 119.9209 61.0578 34.8585 174.0861 43 A 5.4978 9.8908 132.2742 50.8950 22.2582 175.9252 44 V 5.6197 8.8809 121.3589 59.2038 34.8884 172.1673 45 Y 5.0691 8.0827 122.9380 55.0731 41.8463 173.3420 46 L 5.5386 8.6851 118.9355 53.3297 44.6241 176.3805 47 T 4.6242 8.7739 111.4977 60.7465 72.6358 174.2387 48 G 3.9808 9.1170 110.0212 46.3588 0.0000 173.2876 49 A 4.7742 8.2832 121.8323 52.0149 18.7697 177.7102 50 E 4.7819 10.0061 120.5141 54.7199 33.8841 173.9786 51 Y 2.6703 7.5406 124.9038 57.5243 39.8333 176.0524 52 T 4.0737 7.4617 119.8070 61.3165 69.9154 170.7716 53 G 3.0379 5.3823 110.0439 44.4672 0.0000 172.8456 54 E 5.0566 8.4031 117.1642 54.9572 32.7540 172.2804 55 E 4.2497 8.8120 123.6678 57.5963 30.4046 176.6760 56 L 4.6336 7.5433 122.4076 54.3954 42.8045 177.3978 57 D 4.6099 8.7214 126.6715 54.0455 37.6098 175.3651 58 S 4.6830 7.8064 116.8223 58.0082 66.5312 175.8624 59 D 5.2621 8.7544 124.8206 52.9918 40.8110 175.1496 60 T 4.7777 9.0613 122.5453 62.1657 70.1719 174.4028 61 W 5.3756 8.8643 123.7046 55.1680 34.3222 173.6989 62 Q 5.1615 9.0372 122.4923 54.7202 32.1422 173.8276 63 A 5.0954 8.8909 125.2478 51.3053 23.7668 174.3382 64 E 4.9470 9.2863 121.0909 54.5631 31.8030 174.4301 65 L 4.8489 8.9903 130.1059 54.2780 43.9611 174.7410 66 H 5.2230 9.3877 123.4645 53.9695 32.2479 173.4550 67 I 4.9323 8.4318 121.9894 59.7442 40.3782 173.7035 68 E 4.9742 10.0227 129.9781 54.2773 32.5072 174.9040 69 V 4.5911 8.2008 120.1207 59.8544 34.3520 174.9226 70 F 4.8317 9.0042 123.6838 55.7178 41.7940 174.0445 71 L 4.9706 8.8199 125.0224 51.8399 44.0266 174.4757 72 P 3.4046 0.0000 0.0000 64.0188 31.3773 177.0976 73 A 4.3747 7.9410 129.6516 51.7106 18.2115 177.0504 74 Q 4.2382 8.2799 116.9395 54.8899 28.5779 172.7664 75 V 4.6412 7.9158 115.2176 57.4966 35.9822 173.6827 76 P 4.3938 0.0000 0.0000 62.7065 31.9067 177.7785 77 D 4.5075 8.5189 120.9280 57.0632 40.6292 179.1902 78 S 4.2531 7.9827 115.6836 61.2032 62.8921 175.8620 79 E 4.0744 8.2075 122.4332 58.8869 29.2914 178.8884 80 L 4.0788 7.8434 118.7542 57.9139 41.8584 178.6996 81 D 5.1330 8.5104 119.8445 56.8413 40.3513 178.7050 82 A 3.9883 8.0392 120.9887 55.2606 18.4789 179.5683 83 W 3.7269 8.4006 126.5811 60.5502 30.8241 177.8853 84 M 4.2949 8.7909 121.2488 59.3606 31.6204 178.2442 85 E 3.8744 8.4818 116.8137 59.3598 29.6666 180.2383 86 S 4.7958 7.3945 119.0819 61.5510 64.6999 179.9507 87 R 4.4916 7.3989 118.0485 57.5030 31.7825 177.9953 88 I 4.1507 7.6956 119.0546 64.0238 37.5089 177.3239 89 Y 4.4515 8.3399 116.9972 60.9702 37.8706 177.0778 90 P 4.2377 0.0000 0.0000 66.4981 30.8973 178.0151 91 V 3.6076 7.2989 115.8674 65.8186 31.4720 177.7303 92 M 4.1823 8.1236 119.3597 58.3712 31.7293 178.9688 93 S 4.5590 7.6011 121.2420 62.4843 62.4549 180.1918 94 D 4.6893 7.5295 123.1913 52.0698 42.4183 177.2725 95 I 4.3433 7.7960 127.0864 57.2017 36.6903 174.6574 96 P 3.8066 0.0000 0.0000 65.1239 31.2294 177.2771 97 A 3.9586 7.7009 122.4860 55.3930 19.1510 179.2672 98 L 3.9411 8.0879 118.7925 58.4843 42.1129 179.0280 99 S 4.3462 8.0554 111.1453 61.2803 62.1732 174.7593 100 D 4.7589 7.7764 119.2407 54.3949 40.6235 176.5739 101 L 4.5015 8.2524 122.7280 56.4563 44.1759 177.7673 102 I 4.3595 7.5292 114.7649 59.7394 36.6528 177.1414 103 T 4.8573 8.6659 111.9917 65.0594 70.9757 175.2468 104 S 4.6824 7.3835 111.3489 57.8453 66.4306 175.2962 105 M 5.5272 8.7125 121.7425 54.2735 35.3848 174.1445 106 V 4.6884 8.3930 122.4914 60.3938 35.3294 172.9124 107 A 3.5485 8.7824 126.4569 53.1854 18.5026 176.5516 108 S 4.4238 8.8445 118.2843 59.2190 64.1039 176.2057 109 G 4.0824 8.3264 106.3679 45.6285 0.0000 170.1126 110 Y 4.9277 8.4606 121.3256 56.8135 40.8351 173.9289 111 D 5.3162 8.9313 126.9959 52.5160 44.2038 174.9259 112 Y 5.1152 8.5495 118.8663 56.4799 40.1810 175.4398 113 R 4.9134 9.5676 124.9850 55.2367 34.7496 175.0744 114 R 4.6999 8.4245 121.1092 54.8402 34.4717 175.0697 115 D 3.7418 7.4443 117.8163 53.3617 39.3422 176.0106 116 D 4.3862 8.2264 124.2898 57.1096 41.4207 178.2590 117 D 4.3325 7.5692 116.2034 56.6731 41.4685 175.6096 118 A 4.5427 8.2550 120.0745 50.7596 22.5915 177.0629 119 G 3.7706 8.6683 106.2156 46.9610 0.0000 176.0741 120 L 4.1422 8.2044 125.4703 57.1988 41.5912 180.6608 121 W 5.0886 7.3112 114.3312 55.2414 31.4018 173.0926 122 S 5.3888 9.2495 115.9187 56.8299 65.3716 172.8526 123 S 4.9779 9.6669 119.2851 56.7686 66.8804 172.3881 124 A 4.8200 8.3481 123.4768 50.1636 21.4192 174.6848 125 D 4.7616 8.9908 123.6051 52.4115 43.6883 174.6572 126 L 4.8298 8.2742 129.5823 53.8431 43.5628 175.3289 127 T 5.1681 8.4509 116.2848 60.1608 72.2890 172.5826 128 Y 5.1221 8.6988 118.8999 56.3680 42.8216 174.2881 129 V 4.9160 8.8577 122.5463 61.3581 33.7861 174.7302 130 I 5.3096 8.9826 120.8055 59.3449 41.6930 174.0927 131 T 5.2189 8.7710 113.0410 60.3857 71.8675 172.6311 132 Y 5.0151 8.3836 124.0940 56.8670 42.0207 173.4902 133 E 5.8657 8.8334 115.7637 54.0175 33.5227 171.9023 134 M 4.2743 8.8262 121.4263 55.4215 32.0460 175.9051 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 H 8.54 4.63 0.00 2.95 2.96 0.00 7.16 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.30 4.26 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.22 0.00 5 K 9.22 3.96 0.00 1.79 1.74 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.41 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.41 7.81 6 H 8.11 3.93 0.00 3.11 3.27 0.00 5.70 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 7 T 7.84 3.86 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 1.18 0.00 0.00 8 E 8.13 3.97 0.00 2.10 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 2.29 2.48 0.00 9 L 8.37 3.84 0.00 1.64 1.54 0.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.98 3.97 0.00 1.85 1.99 0.00 3.44 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 11 A 7.88 3.92 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 12 A 7.83 4.30 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 13 V 7.42 3.46 2.05 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 1.01 0.00 0.00 0.85 0.00 0.00 14 L 8.49 3.82 0.00 1.76 1.60 0.92 1.20 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 15 D 9.02 4.16 0.00 2.58 2.65 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 16 A 7.59 3.96 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 17 L 7.71 4.16 0.00 1.37 1.22 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.48 4.12 0.00 2.09 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 2.26 2.20 0.00 19 K 7.78 4.62 0.00 1.86 1.66 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.31 7.81 20 H 8.34 4.72 0.00 3.12 3.34 0.00 5.75 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 *23 G 7.76 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 24 A 7.05 4.57 1.22 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 0.00 0.00 0.00 25 T 8.56 4.16 4.42 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 0.73 0.00 0.00 26 F 8.59 5.38 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.43 4.73 0.00 2.91 2.87 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 28 D 8.90 4.84 0.00 2.70 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 29 G 8.33 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 0.00 0.00 0.00 0.00 30 R 7.87 3.53 0.00 0.67 1.19 0.00 2.89 0.00 0.00 2.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.36 0.00 31 P 0.00 4.06 0.00 0.49 0.88 0.00 2.97 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.35 0.00 32 A 7.65 4.10 1.11 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 0.00 0.00 33 V 6.94 4.36 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 0.83 0.00 0.00 0.93 0.00 0.00 34 F 8.95 4.60 0.00 2.92 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 35 D 9.57 5.15 0.00 2.51 2.47 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 36 E 9.13 3.97 0.00 1.88 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 2.33 1.93 0.00 37 A 7.98 4.37 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 38 D 8.81 4.53 0.00 2.43 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 39 F 7.35 4.79 0.00 3.02 2.91 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 40 P 0.00 4.60 0.00 1.90 1.56 0.00 3.61 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 2.34 2.17 0.00 41 A 8.32 5.21 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 0.00 0.00 0.00 0.00 0.00 42 V 9.08 4.98 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 1.32 0.00 0.00 0.88 0.00 0.00 43 A 9.89 5.50 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 44 V 8.88 5.62 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 0.79 0.00 0.00 0.93 0.00 0.00 45 Y 8.08 5.07 0.00 3.04 3.05 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 46 L 8.69 5.54 0.00 1.54 1.62 0.64 0.78 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 47 T 8.77 4.62 4.38 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 1.40 0.00 0.00 48 G 9.12 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 49 A 8.28 4.77 1.55 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 0.00 0.00 50 E 10.01 4.78 0.00 1.86 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 2.49 2.15 0.00 51 Y 7.54 2.67 0.00 1.43 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 0.00 0.00 0.00 52 T 7.46 4.07 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 1.21 0.00 0.00 53 G 5.38 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 0.00 0.00 0.00 54 E 8.40 5.06 0.00 1.95 1.69 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 2.10 1.82 0.00 55 E 8.81 4.25 0.00 2.00 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 2.24 2.12 0.00 56 L 7.54 4.63 0.00 1.61 1.44 0.92 0.91 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 57 D 8.72 4.61 0.00 2.86 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 58 S 7.81 4.68 0.00 3.59 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 59 D 8.75 5.26 0.00 2.36 2.60 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 60 T 9.06 4.78 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 1.03 0.00 0.00 61 W 8.86 5.38 0.00 2.46 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 62 Q 9.04 5.16 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 63 A 8.89 5.10 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.29 4.95 0.00 2.20 1.88 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 2.22 2.25 0.00 65 L 8.99 4.85 0.00 1.78 1.55 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.39 5.22 0.00 1.56 2.50 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.43 4.93 1.98 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 1.19 1.15 1.07 0.00 0.00 68 E 10.02 4.97 0.00 2.15 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 1.47 2.02 0.00 69 V 8.20 4.59 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 0.95 0.00 0.00 0.83 0.00 0.00 70 F 9.00 4.83 0.00 2.41 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 71 L 8.82 4.97 0.00 1.51 1.48 0.87 0.25 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 72 P 0.00 3.40 0.00 1.71 1.32 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 73 A 7.94 4.37 1.27 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 0.00 0.00 0.00 74 Q 8.28 4.24 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 75 V 7.92 4.64 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 0.92 0.00 0.00 0.94 0.00 0.00 76 P 0.00 4.39 0.00 2.17 1.95 0.00 3.72 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 2.11 2.09 0.00 77 D 8.52 4.51 0.00 2.40 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 0.00 0.00 0.00 0.00 78 S 7.98 4.25 0.00 3.87 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 79 E 8.21 4.07 0.00 2.09 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 2.40 2.41 0.00 80 L 7.84 4.08 0.00 2.20 1.87 1.12 1.10 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 81 D 8.51 5.13 0.00 2.94 2.78 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 82 A 8.04 3.99 1.47 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 83 W 8.40 3.73 0.00 3.63 3.32 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 84 M 8.79 4.29 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 85 E 8.48 3.87 0.00 2.06 1.82 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 2.26 2.19 0.00 86 S 7.39 4.80 0.00 3.49 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 87 R 7.40 4.49 0.00 1.27 1.52 0.00 2.75 0.00 0.00 2.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 88 I 7.70 4.15 2.26 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 1.14 0.00 0.00 89 Y 8.34 4.45 0.00 3.01 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 90 P 0.00 4.24 0.00 2.30 2.40 0.00 3.77 0.00 0.00 3.83 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 91 V 7.30 3.61 2.32 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 0.88 0.00 0.00 1.14 0.00 0.00 92 M 8.12 4.18 0.00 1.98 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.95 0.00 93 S 7.60 4.56 0.00 3.72 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 94 D 7.53 4.69 0.00 2.63 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 95 I 7.80 4.34 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.86 0.00 0.00 96 P 0.00 3.81 0.00 2.13 1.96 0.00 3.60 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 2.10 2.18 0.00 97 A 7.70 3.96 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 98 L 8.09 3.94 0.00 1.70 1.82 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.06 4.35 0.00 3.87 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 0.00 100 D 7.78 4.76 0.00 2.82 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 0.00 101 L 8.25 4.50 0.00 1.62 1.61 0.88 0.76 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 0.00 102 I 7.53 4.36 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 1.41 0.62 0.91 0.00 0.00 103 T 8.67 4.86 4.43 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 1.23 0.00 0.00 104 S 7.38 4.68 0.00 3.86 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 0.00 105 M 8.71 5.53 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 106 V 8.39 4.69 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 0.95 0.00 0.00 107 A 8.78 3.55 1.02 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 0.00 0.00 108 S 8.84 4.42 0.00 3.35 3.60 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 0.00 109 G 8.33 4.08 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 0.00 110 Y 8.46 4.93 0.00 3.02 2.69 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 0.00 111 D 8.93 5.32 0.00 2.53 2.53 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 0.00 112 Y 8.55 5.12 0.00 2.90 2.88 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 0.00 113 R 9.57 4.91 0.00 1.90 2.00 0.00 3.11 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 114 R 8.42 4.70 0.00 1.54 1.65 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 115 D 7.44 3.74 0.00 1.58 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 0.00 116 D 8.23 4.39 0.00 2.64 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 0.00 117 D 7.57 4.33 0.00 2.67 2.84 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 0.00 118 A 8.26 4.54 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 0.00 119 G 8.67 3.77 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 0.00 0.00 0.00 120 L 8.20 4.14 0.00 1.30 1.73 0.92 0.90 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 0.00 121 W 7.31 5.09 0.00 3.41 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 0.00 122 S 9.25 5.39 0.00 4.01 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 0.00 123 S 9.67 4.98 0.00 2.99 3.34 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 0.00 124 A 8.35 4.82 1.11 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 0.00 0.00 125 D 8.99 4.76 0.00 2.80 2.52 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 0.00 0.00 0.00 0.00 126 L 8.27 4.83 0.00 1.78 1.67 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.45 5.17 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 0.84 0.00 0.00 128 Y 8.70 5.12 0.00 2.90 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 0.00 129 V 8.86 4.92 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 1.03 0.00 0.00 0.95 0.00 0.00 130 I 8.98 5.31 2.05 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 1.56 0.88 0.97 0.00 0.00 131 T 8.77 5.22 4.23 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 1.22 0.00 0.00 132 Y 8.38 5.02 0.00 3.14 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 0.00 133 E 8.83 5.87 0.00 1.72 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 0.00 2.11 1.67 0.00 134 M 8.83 4.27 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.