NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5851 8.3649 120.5313 54.0234 42.2737 174.4932 2 I 3.8800 8.0784 122.3868 59.6962 38.0761 173.7024 3 L 4.4865 9.5538 129.7329 54.2886 44.6293 174.5712 4 M 5.0679 8.6179 125.4905 53.9898 34.5937 174.6955 5 T 4.7439 9.4095 121.4894 61.9053 71.4786 173.3166 6 Q 5.0307 8.1648 127.3544 54.2572 28.9213 176.0572 7 S 4.2006 8.7941 119.6824 60.1063 63.8545 174.5470 8 Q 4.3689 7.9465 121.2350 54.9058 28.9061 176.3008 9 K 4.0643 8.7324 123.7203 58.7205 33.2916 177.3027 10 F 5.4063 8.0764 115.5752 55.5900 43.2080 174.2515 11 L 5.0001 9.1460 123.2245 53.3780 45.2665 175.3539 12 S 5.8376 8.5066 119.5053 56.6840 66.1040 172.4526 13 T 4.4377 8.0230 114.0488 62.0657 71.1055 171.6073 14 S 5.0930 8.2340 118.6606 55.9344 66.4946 174.3394 15 V 3.8367 8.1741 121.2707 64.8065 31.3446 176.3638 16 G 4.3806 9.3667 115.9944 44.8079 0.0000 172.9954 17 D 4.6919 7.6221 119.3314 53.3751 43.3361 174.8842 18 R 5.1409 8.3254 119.1820 54.7866 32.4671 175.1676 19 V 4.5868 8.7297 124.3427 60.1474 35.4860 174.3481 20 S 4.8954 8.4293 117.1670 56.9323 66.1204 173.3576 21 V 4.5571 8.6452 126.0068 61.6896 32.9702 174.8175 22 T 5.2248 8.9770 118.3163 60.7301 71.0770 173.3926 23 C 5.1853 9.3244 122.8153 55.1989 45.7807 172.3627 24 K 5.3252 9.6603 127.4331 54.6306 34.6684 174.2986 25 A 5.3027 8.8441 128.7424 50.1870 21.0466 177.9013 26 S 4.1861 8.7436 116.0034 60.6800 63.5277 174.1387 27 Q 4.5017 7.5355 118.0162 53.9204 32.8227 173.6557 28 N 4.3469 8.7335 118.2206 54.7447 39.0494 174.7730 29 V 4.2724 9.0844 118.7578 60.5573 33.4419 176.8089 30 G 3.8995 8.4913 113.8873 47.4933 0.0000 175.7289 31 T 4.9038 8.3839 113.9696 61.2771 69.4625 174.4165 32 N 4.1640 7.9291 119.7070 53.3810 37.7368 174.8652 33 V 4.4085 6.8159 117.7907 60.8021 35.4676 174.9297 34 A 5.3179 9.0915 128.4045 50.0786 22.5937 175.1441 35 W 5.6211 8.8209 117.8220 55.3164 33.5406 174.4519 36 Y 5.3310 9.7602 120.0170 56.4539 42.2068 173.9093 37 Q 4.8035 9.3396 124.0813 54.3784 31.6881 174.2413 38 K 4.8962 9.1951 126.8726 54.7314 35.7869 174.7970 39 K 4.9381 8.5247 125.9726 53.5721 35.4869 174.0238 40 P 4.3915 0.0000 0.0000 64.3659 31.5579 177.0163 41 G 3.9724 9.0865 110.7970 45.5180 0.0000 172.7641 42 Q 4.6909 7.7784 117.4897 53.4930 32.2126 175.5304 43 S 4.3728 8.3154 114.4651 57.0759 64.0840 172.2214 44 P 4.4406 0.0000 0.0000 63.3323 31.8747 175.4768 45 K 4.4919 9.1837 126.0166 53.9685 33.9386 173.6271 46 P 4.4216 0.0000 0.0000 63.1631 31.3962 175.6518 47 L 4.5882 9.3194 124.6227 56.2486 43.9268 176.4456 48 M 5.3210 8.1071 117.4922 53.7347 35.4175 175.7522 49 Y 4.5970 8.2225 120.2080 56.9616 39.5030 174.9674 50 S 5.0930 7.4415 113.4684 57.3598 66.4153 174.5277 51 A 4.1277 8.5458 123.4711 55.0288 17.9045 179.3623 52 S 4.9001 7.5519 104.9328 57.0450 63.8697 172.8135 53 Y 4.7528 7.5622 119.5075 56.4264 39.4315 174.3007 54 R 4.9513 8.2842 125.0592 54.7436 31.9238 175.5249 55 Y 4.5797 9.0252 124.2876 57.9123 39.1780 175.9691 56 S 4.3807 8.8254 117.3947 60.1064 63.2456 174.7220 57 G 4.0018 9.1854 110.4605 45.4716 0.0000 173.8095 58 V 3.8045 7.3149 119.5537 61.5169 32.2352 174.1152 59 P 4.4903 0.0000 0.0000 62.9484 31.7421 176.5085 60 D 4.6994 8.6415 119.6601 54.2793 39.7324 177.1062 61 R 4.1464 7.8221 116.6453 57.2764 30.7855 175.7111 62 F 4.7675 8.1623 120.1026 56.8720 40.0256 175.4766 63 T 4.6194 9.2092 120.7299 61.6912 72.2496 173.2771 64 G 4.7454 8.9338 112.9361 44.2673 0.0000 172.4527 65 S 4.7348 9.4618 116.9580 56.9586 67.4233 172.5734 66 G 3.6109 9.4923 105.5660 45.1642 0.0000 172.2966 67 S 4.5801 7.7230 110.2368 58.7384 67.5123 179.9029 68 G 3.7335 9.3199 115.6948 46.3571 0.0000 174.8429 69 T 4.7083 8.8897 115.0839 61.2594 71.8771 174.5340 70 D 5.1323 7.7117 122.7253 52.8050 44.2794 174.6214 71 F 5.3112 9.3475 122.4170 55.9181 43.2103 174.6897 72 T 5.2879 9.3706 117.8150 61.9011 72.8145 172.4615 73 L 4.4731 8.2811 128.2817 53.3658 44.1934 174.9823 74 T 4.8815 8.9276 122.8955 61.6645 71.8790 172.9910 75 I 4.6073 8.5253 127.2615 59.4133 39.4887 175.1636 76 S 4.5895 8.6873 122.4828 56.5881 65.6074 173.3086 77 N 4.1429 8.3190 116.2211 52.8832 37.2840 174.5258 78 V 3.8378 7.9734 118.2734 63.6255 32.6020 175.0018 79 Q 4.8710 8.9009 125.8126 53.8093 31.3876 176.9323 80 S 4.1150 8.4979 113.9358 61.5056 63.1201 175.8684 81 E 4.2559 8.1489 115.4707 57.3465 29.2314 176.7603 82 D 4.8261 8.1326 119.2224 55.0029 41.4066 176.3156 83 L 4.2358 7.9355 122.6316 54.9386 42.4038 176.2188 84 A 4.4189 7.7859 128.9030 51.9652 23.4997 174.2985 85 E 4.7195 8.2888 120.8974 55.1206 31.8808 174.4030 86 Y 5.1537 8.7452 124.0170 56.2661 40.8630 174.6004 87 F 5.6628 9.7217 123.2061 55.8875 42.5147 172.5354 88 C 4.5876 8.8875 117.0468 54.3255 40.0815 172.0601 89 Q 4.7961 8.0794 119.6649 54.8988 32.1070 172.9133 90 Q 4.5841 8.4340 124.7610 54.1605 31.1534 175.5386 91 F 4.9294 7.2935 116.1973 56.8181 38.1228 175.8797 92 N 4.2855 8.3472 121.1982 57.0938 38.9757 174.6896 93 R 4.3248 7.2989 111.1840 55.1936 31.8812 173.5342 94 Y 4.5265 8.0431 116.8321 56.4691 38.9225 174.1092 95 P 4.6911 0.0000 0.0000 62.1360 32.3976 176.0646 96 L 4.1525 8.6812 120.9023 55.5636 42.0562 176.5431 97 T 4.8600 8.1192 113.5911 59.8755 72.3967 172.7826 98 F 5.3482 8.8083 120.2939 55.6313 42.4239 175.5221 99 G 4.2109 9.0252 111.6852 45.4151 0.0000 173.9869 100 S 4.4091 8.5456 112.6042 58.7574 63.6590 175.4956 101 G 3.1436 8.5416 107.0620 45.7235 0.0000 172.9940 102 T 4.7590 7.9626 116.5118 60.2181 72.3546 173.1925 103 K 4.6255 8.8472 127.2823 55.5169 33.4426 175.6298 104 L 5.0089 9.0541 128.1393 54.0438 43.7026 174.9250 105 E 5.1172 9.3521 126.0543 54.5889 32.9061 174.8826 106 L 5.1351 8.4493 123.4429 53.0727 42.7549 177.0215 107 K 4.4263 9.0829 124.2489 56.3668 32.9412 176.5918 108 R 3.9882 7.1588 116.9705 55.6921 31.5045 173.2652 109 A 4.1182 8.4803 121.3220 51.9556 18.8149 176.6996 110 D 4.9460 8.6438 121.6033 54.0628 41.1502 176.5018 111 A 4.9437 9.1019 123.9490 49.8684 23.2119 174.5096 112 A 4.3398 8.6005 121.5093 50.6116 19.5151 176.1363 113 P 4.2365 0.0000 0.0000 62.8807 32.4014 176.4843 *136 L 4.1660 7.9417 116.6400 54.9748 42.1855 176.9858 137 N 4.5919 7.8720 115.7725 53.8926 40.4399 175.2252 138 N 4.1614 8.9846 119.2925 53.9870 34.4763 172.3235 139 F 5.3663 7.3541 112.3635 55.5512 42.0277 175.5803 140 Y 4.5889 8.4668 118.7808 55.9848 42.3227 173.3687 141 P 2.9700 0.0000 0.0000 62.2248 33.3258 175.3240 142 K 3.9244 8.4533 119.0835 60.1614 32.7982 178.0355 143 D 4.2550 7.8188 118.8919 54.6012 41.5090 176.3143 *164 T 4.1135 7.4542 111.6223 61.9284 68.6935 172.2473 165 D 4.7052 8.3053 124.3059 52.8171 42.0414 176.3251 166 Q 3.8445 8.5782 122.4611 56.7344 29.6340 176.3683 167 D 4.6590 8.5081 123.7501 53.7034 42.1747 177.1222 168 S 4.3129 8.5439 119.4918 60.2177 63.9466 175.5495 169 K 4.2220 8.3503 119.9913 58.1277 32.3001 177.0516 170 D 4.7518 8.2965 114.0010 52.0575 40.2440 176.0549 171 S 4.2283 8.1603 121.7163 59.3707 63.3112 170.5825 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 D 8.36 4.59 0.00 2.67 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 2 I 8.08 3.88 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.02 0.85 0.00 0.00 3 L 9.55 4.49 0.00 1.76 1.53 0.94 1.11 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 4 M 8.62 5.07 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 5 T 9.41 4.74 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 6 Q 8.16 5.03 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 7 S 8.79 4.20 0.00 4.01 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 8 Q 7.95 4.37 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 9 K 8.73 4.06 0.00 1.78 1.52 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.46 7.81 10 F 8.08 5.41 0.00 2.86 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 11 L 9.15 5.00 0.00 1.78 1.50 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.51 5.84 0.00 3.92 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 13 T 8.02 4.44 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 1.19 0.00 0.00 14 S 8.23 5.09 0.00 3.76 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 15 V 8.17 3.84 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 0.81 0.00 0.00 0.90 0.00 0.00 16 G 9.37 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 0.00 0.00 0.00 0.00 17 D 7.62 4.69 0.00 2.90 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 18 R 8.33 5.14 0.00 1.70 1.70 0.00 3.12 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 19 V 8.73 4.59 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 0.74 0.00 0.00 0.88 0.00 0.00 20 S 8.43 4.90 0.00 3.66 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 21 V 8.65 4.56 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 1.37 0.00 0.00 0.80 0.00 0.00 22 T 8.98 5.22 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 1.25 0.00 0.00 23 C 9.32 5.19 0.00 3.13 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 24 K 9.66 5.33 0.00 1.85 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.65 7.81 25 A 8.84 5.30 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 26 S 8.74 4.19 0.00 3.91 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 27 Q 7.54 4.50 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 28 N 8.73 4.35 0.00 2.67 2.75 0.00 0.00 6.85 7.71 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 29 V 9.08 4.27 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 0.62 0.00 0.00 0.76 0.00 0.00 30 G 8.49 3.90 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 0.00 0.00 0.00 31 T 8.38 4.90 4.19 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 1.20 0.00 0.00 32 N 7.93 4.16 0.00 2.29 1.52 0.00 0.00 6.43 8.33 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 33 V 6.82 4.41 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 0.31 0.00 0.00 -0.49 0.00 0.00 34 A 9.09 5.32 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 35 W 8.82 5.62 0.00 3.28 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 36 Y 9.76 5.33 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 37 Q 9.34 4.80 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.14 1.88 0.00 38 K 9.20 4.90 0.00 1.94 1.81 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.49 7.81 39 K 8.52 4.94 0.00 1.72 1.66 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.41 7.81 40 P 0.00 4.39 0.00 2.04 2.02 0.00 3.73 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 2.14 2.11 0.00 41 G 9.09 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 0.00 0.00 0.00 42 Q 7.78 4.69 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 43 S 8.32 4.37 0.00 3.94 3.83 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 44 P 0.00 4.44 0.00 1.89 1.94 0.00 3.57 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 45 K 9.18 4.49 0.00 1.77 1.79 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.34 7.81 46 P 0.00 4.42 0.00 0.95 1.62 0.00 3.53 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.24 0.00 47 L 9.32 4.59 0.00 1.78 1.68 1.13 0.19 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 48 M 8.11 5.32 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 49 Y 8.22 4.60 0.00 2.69 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 0.00 0.00 0.00 0.00 50 S 7.44 5.09 0.00 4.11 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 0.00 51 A 8.55 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.90 0.00 3.97 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 53 Y 7.56 4.75 0.00 2.00 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 0.00 0.00 0.00 54 R 8.28 4.95 0.00 1.87 1.87 0.00 3.62 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 55 Y 9.03 4.58 0.00 3.23 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 56 S 8.83 4.38 0.00 3.92 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 57 G 9.19 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 0.00 0.00 0.00 58 V 7.31 3.80 2.28 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 0.67 0.00 0.00 1.02 0.00 0.00 59 P 0.00 4.49 0.00 2.49 2.08 0.00 3.73 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 2.36 2.20 0.00 60 D 8.64 4.70 0.00 2.82 2.82 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 61 R 7.82 4.15 0.00 1.86 2.13 0.00 3.13 0.00 0.00 3.28 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.21 0.00 62 F 8.16 4.77 0.00 3.08 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 63 T 9.21 4.62 4.17 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 1.19 0.00 0.00 64 G 8.93 4.75 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 0.00 0.00 0.00 65 S 9.46 4.73 0.00 3.79 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 66 G 9.49 3.61 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 0.00 0.00 0.00 67 S 7.72 4.58 0.00 3.93 3.83 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 68 G 9.32 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 0.00 0.00 0.00 69 T 8.89 4.71 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 1.26 0.00 0.00 70 D 7.71 5.13 0.00 2.39 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 71 F 9.35 5.31 0.00 3.18 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 72 T 9.37 5.29 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 1.15 0.00 0.00 73 L 8.28 4.47 0.00 0.27 0.22 0.53 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.93 4.88 4.11 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 1.09 0.00 0.00 75 I 8.53 4.61 1.51 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.42 0.21 0.00 0.00 76 S 8.69 4.59 0.00 3.80 3.87 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 77 N 8.32 4.14 0.00 2.86 2.73 0.00 0.00 7.30 7.71 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 78 V 7.97 3.84 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 0.83 0.00 0.00 0.85 0.00 0.00 79 Q 8.90 4.87 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 80 S 8.50 4.12 0.00 4.09 4.12 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 81 E 8.15 4.26 0.00 2.15 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 0.00 2.37 2.34 0.00 82 D 8.13 4.83 0.00 2.90 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 83 L 7.94 4.24 0.00 1.84 1.65 1.01 1.01 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 84 A 7.79 4.42 1.06 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 0.00 0.00 85 E 8.29 4.72 0.00 1.95 1.74 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 1.57 2.02 0.00 86 Y 8.75 5.15 0.00 3.05 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 87 F 9.72 5.66 0.00 3.29 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 88 C 8.89 4.59 0.00 1.95 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 89 Q 8.08 4.80 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 90 Q 8.43 4.58 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 91 F 7.29 4.93 0.00 2.89 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 92 N 8.35 4.29 0.00 2.42 2.81 0.00 0.00 6.85 7.22 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 93 R 7.30 4.32 0.00 1.86 1.76 0.00 3.04 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 94 Y 8.04 4.53 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 95 P 0.00 4.69 0.00 2.24 2.11 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 96 L 8.68 4.15 0.00 1.61 1.57 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.12 4.86 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 1.31 0.00 0.00 98 F 8.81 5.35 0.00 2.76 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 99 G 9.03 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 0.00 0.00 0.00 0.00 100 S 8.55 4.41 0.00 4.03 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 0.00 101 G 8.54 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 0.00 0.00 0.00 102 T 7.96 4.76 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 1.30 0.00 0.00 103 K 8.85 4.63 0.00 1.41 1.78 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.33 1.11 7.81 104 L 9.05 5.01 0.00 2.02 1.90 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.35 5.12 0.00 2.00 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 2.41 2.47 0.00 106 L 8.45 5.14 0.00 1.57 1.57 0.93 0.77 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 0.00 107 K 9.08 4.43 0.00 1.71 1.71 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.28 7.81 108 R 7.16 3.99 0.00 1.57 1.59 0.00 2.98 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 109 A 8.48 4.12 1.23 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 0.00 0.00 110 D 8.64 4.95 0.00 2.64 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 0.00 111 A 9.10 4.94 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 0.00 112 A 8.60 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 0.00 113 P 0.00 4.24 0.00 1.94 1.78 0.00 3.69 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 1.86 1.78 0.00 *136 L 7.94 4.17 0.00 1.73 1.71 0.78 0.97 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 0.00 137 N 7.87 4.59 0.00 2.76 2.80 0.00 0.00 7.33 8.00 0.00 0.00 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 N 8.98 4.16 0.00 2.96 3.00 0.00 0.00 6.87 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 0.00 139 F 7.35 5.37 0.00 3.14 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 0.00 140 Y 8.47 4.59 0.00 3.05 2.95 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 0.00 141 P 0.00 2.97 0.00 1.71 1.35 0.00 3.80 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 1.86 1.84 0.00 142 K 8.45 3.92 0.00 1.59 1.78 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 143 D 7.82 4.25 0.00 2.65 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 *164 T 7.45 4.11 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 1.17 0.00 0.00 165 D 8.31 4.71 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 8.58 3.84 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 167 D 8.51 4.66 0.00 2.79 2.62 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 0.00 168 S 8.54 4.31 0.00 4.05 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 0.00 169 K 8.35 4.22 0.00 1.89 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.37 7.81 170 D 8.30 4.75 0.00 2.70 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 0.00 171 S 8.16 4.23 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.