NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 Y 4.3190 8.1449 118.3086 58.0379 38.9047 174.6816 -2 F 4.5934 8.5650 123.0133 55.5702 39.7415 174.7404 -1 Q 3.9133 8.2776 119.8788 57.3431 29.5002 172.1727 0 G 3.6780 8.6891 118.2922 44.9467 0.0000 172.8032 -1 L 3.9133 8.1176 121.8788 56.7431 42.5002 173.7727 0 K 4.0380 8.6491 129.8922 56.0467 30.8525 174.5033 4 N 4.2718 8.9786 119.9236 54.0846 36.1442 173.6697 5 I 4.4568 7.5628 117.7380 58.9350 40.2485 174.8445 6 D 4.3747 8.9284 124.3578 54.2436 41.1330 175.5641 7 P 4.4318 0.0000 0.0000 65.0745 31.6481 177.4132 8 A 3.9949 8.2800 121.6408 54.2906 18.3303 177.5001 9 L 4.2674 7.6508 116.2649 53.6671 40.6865 177.0647 10 N 4.7071 8.3891 122.4447 51.7310 39.7591 175.5334 11 A 4.0032 8.4423 121.4946 55.6117 18.3733 179.5013 12 D 4.3100 8.1333 116.8397 57.4176 40.9312 179.1141 13 V 3.6284 8.2525 118.7964 65.9079 31.4996 177.9768 14 L 3.9897 8.2511 119.1506 58.0500 41.3929 178.8266 15 H 4.0157 8.5179 117.9670 59.3126 29.5736 176.9468 16 A 4.2036 7.8312 120.7890 55.3949 18.3705 179.1869 17 L 3.9957 8.1032 116.3915 58.0490 41.7597 179.5658 18 R 3.9815 8.0555 117.5781 58.5100 31.3931 177.7484 19 A 4.2627 7.8380 122.0603 50.1411 15.3534 175.6414 *21 G 3.6204 7.2678 113.9415 44.2334 0.0000 170.0109 22 H 4.5285 8.5279 119.0927 57.6513 29.9114 175.4104 23 G 3.9568 9.2950 116.4312 45.1199 0.0000 173.3112 24 D 4.7573 7.9926 119.9783 54.6080 42.3562 175.4730 25 T 5.3292 8.5055 110.2738 59.9764 72.4762 172.5903 26 L 5.2593 8.7457 121.6399 54.2379 44.7151 174.9602 27 V 4.7638 8.5027 120.1435 61.3729 33.8792 174.3843 28 I 4.8184 8.6982 129.3860 60.2784 38.5006 174.9702 29 S 4.8834 8.9327 122.3768 56.4217 66.1359 174.1377 30 D 5.0293 7.6020 118.4894 52.8021 41.3466 176.0068 31 T 4.2200 9.0387 107.5754 63.5563 69.3065 176.3509 32 N 4.4381 8.2583 119.3593 55.4984 39.1653 175.6808 33 F 4.2934 8.4870 119.8819 57.6143 40.3103 174.4431 34 P 4.5312 0.0000 0.0000 62.1241 28.5509 176.9847 35 S 4.3504 7.9842 122.0304 62.3275 62.8596 175.6017 36 D 4.3410 8.0245 121.4514 57.4110 40.5052 178.7861 37 S 4.1442 7.8678 112.8200 61.4846 63.3598 176.1776 38 V 3.6872 7.8032 121.7940 65.5688 31.3077 177.8730 39 A 4.0752 8.5120 120.8779 55.1277 17.9058 179.7376 40 R 4.0883 7.5007 114.8038 59.1153 30.1609 178.3469 41 Q 4.2964 7.8797 116.0739 56.0120 29.2601 176.0370 42 T 4.4216 7.0749 110.5083 60.5275 70.4430 175.0219 43 T 3.8073 7.9130 118.0041 66.6830 68.4804 177.4485 44 V 3.3821 7.3489 120.2728 63.9722 31.5506 177.1970 45 G 3.9780 9.2048 106.0593 44.9564 0.0000 172.6506 46 K 4.6743 7.1957 116.6200 55.0892 35.7766 175.8730 47 V 3.8159 8.3338 121.7417 63.0513 32.2778 175.6411 48 L 4.7176 8.6785 127.7142 54.1077 44.2767 174.9393 49 H 5.2932 8.4908 115.6220 54.7453 32.9255 174.1730 50 I 4.5301 8.9100 123.0946 59.4896 38.1637 174.3643 51 D 4.6610 8.3244 125.7901 54.9600 42.1413 177.3880 52 N 4.4614 9.0497 116.8052 53.7668 37.4284 175.1260 53 V 4.1867 7.1120 112.0710 59.7720 33.2953 175.8308 54 S 4.6980 8.2640 116.4828 58.0896 64.7359 175.0808 55 A 4.0126 8.7096 124.6964 55.4134 18.1694 179.7914 56 A 3.9541 7.8284 117.7626 55.2349 18.8570 179.3138 57 R 4.0064 8.1908 117.0723 59.2796 30.0048 179.0800 58 A 3.9929 7.9640 117.8244 52.5476 18.1545 178.9778 *60 K 4.0533 8.0546 123.3652 57.9766 33.7861 177.9075 61 A 4.5349 8.0312 121.6599 54.8478 18.2064 179.6241 62 I 3.6810 8.0228 118.6840 64.6249 37.0536 178.5345 63 L 4.2627 7.7993 117.0878 56.6309 41.6772 178.9331 64 S 4.2758 7.7390 113.5883 60.5349 62.9376 175.2662 65 V 4.1682 7.0865 110.7957 61.3714 33.7175 175.3306 66 L 4.4689 8.0331 122.8970 53.1846 42.4917 175.0572 67 P 4.5003 0.0000 0.0000 62.9241 32.8170 175.4781 68 L 4.9098 8.3531 121.4894 53.1119 44.1108 176.0221 69 D 4.9075 8.5503 120.0067 54.9665 40.0840 178.3068 70 T 4.2047 7.7223 116.7556 65.2299 68.5558 174.6788 71 P 4.5060 0.0000 0.0000 64.6169 31.5429 176.9683 72 L 4.5634 7.7732 117.1658 55.5342 42.9435 176.4432 73 Q 4.5501 7.3993 113.9575 54.1400 31.3720 171.7690 74 P 4.5074 0.0000 0.0000 63.8377 31.8334 176.3160 75 S 4.9309 8.9209 116.1086 57.9728 65.4344 173.2061 76 V 4.7520 8.0734 119.8489 61.1483 33.8349 174.7557 77 G 3.2802 9.1957 116.2686 43.8987 0.0000 171.7093 78 R 4.7006 8.6775 118.5581 56.1747 31.8633 178.4779 *80 E 4.2803 9.1018 114.0524 55.5632 32.2042 173.6836 81 V 2.9528 8.5323 123.2911 64.1007 30.2938 177.3855 *83 G 3.7422 9.2195 101.4501 44.8882 0.0000 174.1336 84 A 4.6910 7.9399 122.9746 49.6382 19.7569 175.7247 85 P 4.2868 0.0000 0.0000 64.7997 31.9663 177.6571 86 D 4.5906 7.8724 115.3075 54.8564 41.4534 176.4732 87 Q 4.0848 7.7495 121.4623 55.6995 29.5571 174.9452 88 L 4.8987 8.2314 124.3536 52.9448 44.3957 176.6697 89 E 4.4269 9.2620 123.0595 54.7978 31.9906 175.9087 90 P 4.2686 0.0000 0.0000 66.1144 31.2787 179.2891 91 V 3.7195 7.8796 117.1279 65.0338 31.1920 178.3699 92 Q 4.2276 8.0280 118.1289 58.8826 28.7337 178.7480 93 V 3.6557 8.0248 113.5263 64.2797 31.3053 178.3718 94 E 3.9286 7.9552 117.6119 59.5567 29.7621 179.3431 95 V 3.5110 7.4737 118.0554 65.8205 31.3190 177.7039 96 Q 3.8954 8.1153 119.4203 59.2029 28.7306 178.0636 97 Q 3.9448 7.8688 120.0956 59.4267 29.0497 178.4140 98 E 3.9440 7.9811 119.1384 59.0839 29.4189 179.4646 99 I 3.6655 7.5445 119.5290 64.5844 37.3667 178.0403 100 D 4.6084 8.5828 121.0229 56.6700 40.3587 178.6971 101 A 3.9740 8.0696 120.5796 55.1931 18.4744 179.2824 102 A 4.0701 7.8299 118.1309 55.2255 17.5146 179.3231 103 E 4.1750 8.6086 116.8885 56.7475 29.3575 178.3379 104 G 3.8401 8.3025 105.9792 45.5421 0.0000 172.9030 105 K 4.4087 7.1126 114.7076 55.2831 35.5449 174.5427 106 S 4.4114 8.5115 114.5133 58.3520 62.9774 174.3248 107 A 4.8021 8.8900 130.6388 49.5639 19.4459 175.8547 108 P 5.2535 0.0000 0.0000 60.5160 31.3611 176.4112 *110 Y 4.5873 8.3469 122.4661 57.8382 39.5673 174.9843 111 G 4.2622 8.7945 108.1717 45.9978 0.0000 172.9955 112 I 4.9247 8.4993 123.3940 58.9391 40.4561 175.6923 113 E 4.1792 9.0884 126.3587 56.2713 30.4809 177.5809 114 R 4.0852 9.1217 122.4691 60.0497 29.9618 178.6464 115 F 4.0551 8.4246 119.2129 61.2900 39.4882 176.6383 116 A 4.1376 8.3970 120.0200 55.1640 18.1126 179.1295 117 F 3.8941 8.8714 119.4793 61.6904 39.6351 176.8083 118 Y 4.1315 8.4314 116.2998 61.3660 37.4762 178.7669 119 E 3.9419 7.9017 118.0158 59.2922 29.8552 179.2659 120 K 4.2036 8.4084 118.7338 59.3475 32.0938 179.1160 121 A 3.8707 8.1291 121.4239 55.2061 18.0758 179.7675 122 K 4.1064 7.8669 114.9882 58.5944 32.1701 178.4579 123 Q 4.4255 7.6308 116.2382 54.8021 29.1889 175.4406 124 A 4.6317 7.0892 122.9627 51.1288 19.7480 178.3334 125 Y 4.0134 9.4032 121.5449 60.2477 39.9900 175.5837 126 C 4.9506 8.0368 111.4322 57.2711 33.5270 172.6632 127 V 4.7774 8.3588 119.2455 61.2201 33.7998 174.0792 128 I 4.7163 9.1551 129.1669 59.9592 39.3226 175.2265 129 T 5.1305 9.1275 123.0962 60.8978 69.4681 173.2821 130 T 4.9972 7.4675 113.8171 59.2421 72.0068 173.9760 131 G 4.0447 8.5071 109.2718 46.4708 0.0000 173.7078 132 E 4.3435 8.4539 123.6533 56.3548 29.7880 177.5094 133 T 4.7908 8.5324 116.7093 61.9013 70.0716 175.6359 134 R 4.1083 8.0293 121.1176 55.6927 30.6526 176.5383 135 F 4.4235 8.3864 119.1929 59.0614 39.4210 174.5578 136 Y 3.5009 8.0405 118.7165 59.5016 34.2081 170.0417 137 G 4.2732 8.1882 104.4967 46.8216 0.0000 173.8075 138 C 5.0712 7.2636 116.5520 57.4671 30.9539 173.7876 139 F 5.0669 9.0307 119.7526 55.7624 43.8226 173.3698 140 L 4.9906 9.1940 124.2895 53.5179 44.2125 174.9816 141 L 5.2065 9.0576 127.1369 53.4924 44.5617 175.6773 142 T 5.0541 8.5662 119.3093 61.3640 71.3451 173.6674 143 K 4.3704 9.0860 129.1942 56.4639 33.0601 175.9088 144 G 4.4583 8.8456 119.3236 44.9331 0.0000 173.5272 145 V 4.4811 8.0093 122.1930 60.2651 34.3129 174.2412 146 I 4.1368 8.1137 124.5358 59.6641 38.1568 174.1137 147 P 4.4031 0.0000 0.0000 62.8751 31.1258 176.2516 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 Y 8.14 4.32 0.00 2.90 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 -2 F 8.57 4.59 0.00 3.17 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 -1 Q 8.28 3.91 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 0 G 8.69 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 -1 L 8.12 3.91 0.00 1.73 1.88 0.92 0.41 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 0 K 8.65 4.04 0.00 1.79 1.76 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.36 7.81 4 N 8.98 4.27 0.00 2.87 2.89 0.00 0.00 6.90 7.45 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 5 I 7.56 4.46 1.89 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 1.31 0.83 0.93 0.00 0.00 6 D 8.93 4.37 0.00 2.69 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 7 P 0.00 4.43 0.00 2.44 2.37 0.00 3.92 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 2.21 2.25 0.00 8 A 8.28 3.99 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 9 L 7.65 4.27 0.00 1.78 1.69 1.00 1.10 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 10 N 8.39 4.71 0.00 3.00 2.99 0.00 0.00 6.04 7.73 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 11 A 8.44 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 12 D 8.13 4.31 0.00 2.86 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 13 V 8.25 3.63 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 1.03 0.00 0.00 1.02 0.00 0.00 14 L 8.25 3.99 0.00 1.89 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.52 4.02 0.00 3.34 3.53 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.83 4.20 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 17 L 8.10 4.00 0.00 1.57 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.06 3.98 0.00 1.78 2.06 0.00 3.26 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 19 A 7.84 4.26 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 *21 G 7.27 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 0.00 0.00 0.00 0.00 22 H 8.53 4.53 0.00 3.03 3.23 0.00 5.93 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 9.30 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 24 D 7.99 4.76 0.00 2.80 2.58 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 25 T 8.51 5.33 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 1.23 0.00 0.00 26 L 8.75 5.26 0.00 1.91 1.80 0.95 0.72 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 27 V 8.50 4.76 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 0.73 0.00 0.00 0.73 0.00 0.00 28 I 8.70 4.82 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 1.01 0.00 0.00 29 S 8.93 4.88 0.00 3.74 3.63 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 30 D 7.60 5.03 0.00 2.97 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 31 T 9.04 4.22 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 1.31 0.00 0.00 32 N 8.26 4.44 0.00 2.84 2.83 0.00 0.00 6.90 7.45 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 33 F 8.49 4.29 0.00 2.93 2.92 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 34 P 0.00 4.53 0.00 2.15 2.08 0.00 2.25 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.06 0.00 35 S 7.98 4.35 0.00 3.96 4.05 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 36 D 8.02 4.34 0.00 2.68 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 37 S 7.87 4.14 0.00 3.98 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 38 V 7.80 3.69 2.20 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 1.12 0.00 0.00 0.73 0.00 0.00 39 A 8.51 4.08 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 40 R 7.50 4.09 0.00 1.97 2.00 0.00 3.14 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 41 Q 7.88 4.30 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 42 T 7.07 4.42 4.34 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 1.33 0.00 0.00 43 T 7.91 3.81 3.49 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 0.91 0.00 0.00 44 V 7.35 3.38 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 0.71 0.00 0.00 0.81 0.00 0.00 45 G 9.20 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 46 K 7.20 4.67 0.00 1.72 1.72 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.44 7.81 47 V 8.33 3.82 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 0.68 0.00 0.00 0.99 0.00 0.00 48 L 8.68 4.72 0.00 1.66 1.60 0.99 0.78 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 49 H 8.49 5.29 0.00 2.97 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.91 4.53 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.93 0.00 0.00 51 D 8.32 4.66 0.00 2.62 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 52 N 9.05 4.46 0.00 2.90 3.01 0.00 0.00 6.94 7.68 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 53 V 7.11 4.19 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 0.89 0.00 0.00 1.02 0.00 0.00 54 S 8.26 4.70 0.00 4.18 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 55 A 8.71 4.01 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 56 A 7.83 3.95 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 57 R 8.19 4.01 0.00 1.94 2.09 0.00 3.15 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 1.63 1.70 0.00 58 A 7.96 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 *60 K 8.05 4.05 0.00 1.98 2.02 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 61 A 8.03 4.53 1.42 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 0.00 0.00 62 I 8.02 3.68 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 0.91 0.00 0.00 63 L 7.80 4.26 0.00 1.59 1.71 0.89 0.90 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 64 S 7.74 4.28 0.00 4.02 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 0.00 65 V 7.09 4.17 2.07 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 0.70 0.00 0.00 0.97 0.00 0.00 66 L 8.03 4.47 0.00 1.66 1.62 0.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.50 0.00 2.13 2.14 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 68 L 8.35 4.91 0.00 1.83 1.63 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.55 4.91 0.00 2.97 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 70 T 7.72 4.20 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 1.23 0.00 0.00 71 P 0.00 4.51 0.00 2.04 2.12 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 72 L 7.77 4.56 0.00 1.86 1.70 0.99 1.10 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 73 Q 7.40 4.55 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 74 P 0.00 4.51 0.00 1.90 2.19 0.00 3.49 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 75 S 8.92 4.93 0.00 3.79 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 76 V 8.07 4.75 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 0.84 0.00 0.00 0.95 0.00 0.00 77 G 9.20 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 0.00 0.00 0.00 78 R 8.68 4.70 0.00 1.83 1.35 0.00 2.82 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 1.61 1.54 0.00 *80 E 9.10 4.28 0.00 2.05 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 2.22 2.43 0.00 81 V 8.53 2.95 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 0.83 0.00 0.00 0.13 0.00 0.00 *83 G 9.22 3.74 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 0.00 0.00 0.00 84 A 7.94 4.69 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 85 P 0.00 4.29 0.00 2.06 2.31 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 86 D 7.87 4.59 0.00 2.66 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 87 Q 7.75 4.08 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 88 L 8.23 4.90 0.00 1.63 1.54 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.26 4.43 0.00 2.00 1.93 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 2.15 2.53 0.00 90 P 0.00 4.27 0.00 2.17 2.13 0.00 3.63 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 2.12 2.17 0.00 91 V 7.88 3.72 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 1.09 0.00 0.00 1.12 0.00 0.00 92 Q 8.03 4.23 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 93 V 8.02 3.66 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 1.02 0.00 0.00 1.00 0.00 0.00 94 E 7.96 3.93 0.00 2.11 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 2.34 2.53 0.00 95 V 7.47 3.51 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 0.09 0.00 0.00 0.51 0.00 0.00 96 Q 8.12 3.90 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 97 Q 7.87 3.94 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 98 E 7.98 3.94 0.00 2.09 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 2.42 2.68 0.00 99 I 7.54 3.67 1.97 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 1.57 0.72 0.95 0.00 0.00 100 D 8.58 4.61 0.00 2.66 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 0.00 101 A 8.07 3.97 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 0.00 102 A 7.83 4.07 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 0.00 103 E 8.61 4.17 0.00 2.00 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 0.00 2.41 2.47 0.00 104 G 8.30 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 0.00 105 K 7.11 4.41 0.00 1.88 1.89 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 106 S 8.51 4.41 0.00 3.86 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 0.00 107 A 8.89 4.80 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 0.00 108 P 0.00 5.25 0.00 2.10 1.88 0.00 3.79 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 *110 Y 8.35 4.59 0.00 3.08 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 0.00 111 G 8.79 4.26 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 0.00 112 I 8.50 4.92 2.16 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 1.49 0.77 1.13 0.00 0.00 113 E 9.09 4.18 0.00 2.17 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 2.57 2.39 0.00 114 R 9.12 4.09 0.00 2.02 2.12 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 115 F 8.42 4.06 0.00 3.25 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 0.00 116 A 8.40 4.14 1.53 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 0.00 117 F 8.87 3.89 0.00 3.22 3.29 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 0.00 118 Y 8.43 4.13 0.00 3.11 2.89 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 0.00 119 E 7.90 3.94 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 2.04 2.39 0.00 120 K 8.41 4.20 0.00 1.68 1.68 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.55 7.81 121 A 8.13 3.87 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 0.00 122 K 7.87 4.11 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.64 7.81 123 Q 7.63 4.43 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 124 A 7.09 4.63 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 0.00 125 Y 9.40 4.01 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 126 C 8.04 4.95 0.00 3.05 3.07 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 0.00 0.00 0.00 0.00 127 V 8.36 4.78 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 1.07 0.00 0.00 1.03 0.00 0.00 128 I 9.16 4.72 1.89 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 1.15 0.68 0.93 0.00 0.00 129 T 9.13 5.13 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 1.23 0.00 0.00 130 T 7.47 5.00 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 1.25 0.00 0.00 131 G 8.51 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 0.00 0.00 0.00 132 E 8.45 4.34 0.00 2.27 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 2.40 2.37 0.00 133 T 8.53 4.79 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 1.31 0.00 0.00 134 R 8.03 4.11 0.00 2.00 1.94 0.00 3.18 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 135 F 8.39 4.42 0.00 2.97 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 0.00 0.00 0.00 0.00 136 Y 8.04 3.50 0.00 3.16 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 0.00 137 G 8.19 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 0.00 0.00 0.00 0.00 138 C 7.26 5.07 0.00 1.78 2.22 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 0.00 139 F 9.03 5.07 0.00 2.95 2.92 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 0.00 140 L 9.19 4.99 0.00 1.33 1.40 0.71 0.46 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 0.00 141 L 9.06 5.21 0.00 1.66 1.56 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.57 5.05 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 1.28 0.00 0.00 143 K 9.09 4.37 0.00 1.80 1.81 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.37 7.81 144 G 8.85 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 0.00 0.00 0.00 0.00 145 V 8.01 4.48 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 0.54 0.00 0.00 0.84 0.00 0.00 146 I 8.11 4.14 1.84 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 1.39 0.53 0.89 0.00 0.00 147 P 0.00 4.40 0.00 2.02 1.95 0.00 3.69 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 2.01 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.