NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6197 8.2233 120.1961 53.6396 42.6584 175.9541 3 D 4.3093 8.6353 121.3733 56.6855 40.4650 177.7047 4 R 3.8912 8.7157 119.6213 59.3149 30.5347 178.0861 5 L 3.9331 7.8966 119.6974 57.9443 41.9600 178.2974 6 F 4.1486 7.8689 119.0396 61.6350 39.4257 177.0018 7 R 3.9336 8.1299 116.2205 59.2249 29.9194 178.4814 8 N 4.4174 8.1434 115.2156 56.1210 38.8248 178.0317 9 A 4.0684 7.8455 118.8041 52.8157 18.3464 179.1656 *11 G 3.7704 8.0802 110.0285 46.5788 0.0000 175.4817 12 K 4.0101 7.8366 118.1882 57.7042 32.2471 176.7306 13 F 4.6022 8.0342 121.3099 56.3777 39.0356 174.8030 14 A 4.6865 8.1527 130.6969 52.4376 19.0888 176.1585 15 T 4.6002 8.9339 110.3115 59.8728 73.1568 174.3970 16 G 4.1956 8.5232 109.0686 45.2694 0.0000 172.4276 17 V 4.7851 8.3323 118.2400 61.3959 35.0486 175.0588 18 T 5.0882 8.8817 116.9052 59.8469 72.6001 172.6086 19 V 4.4789 8.3378 121.7863 61.1091 34.2396 174.2368 20 I 4.7604 8.1796 128.6699 60.5429 38.6809 174.7866 21 T 5.0855 8.7151 116.8191 60.4786 72.2224 172.7089 22 T 4.8997 8.7959 116.9700 61.2556 71.8479 171.4383 23 E 5.0271 8.5490 123.6466 54.1698 32.2322 174.8028 24 L 4.4028 8.7942 127.7785 53.8793 44.2389 175.2358 25 N 4.2379 9.9069 125.3948 54.0150 35.8373 173.0317 26 G 4.2525 8.2326 109.6719 45.4592 0.0000 172.6153 27 A 4.0384 7.3865 122.9907 51.3900 18.9894 176.1826 28 V 4.2974 7.9906 123.1543 62.1621 32.6583 174.8186 29 H 4.9954 9.2328 124.9528 54.2328 32.2094 173.3640 30 G 4.2481 8.4367 107.7955 44.8985 0.0000 171.1775 *32 T 4.4180 8.4251 114.8109 63.4130 69.7746 173.5044 33 A 4.7214 8.8429 128.1039 50.7533 22.3058 176.0509 34 N 4.9670 8.6970 116.7502 52.6522 39.3289 175.7453 35 A 4.3868 7.7417 123.8927 51.2589 16.6727 175.2270 36 F 5.7422 7.6334 122.5130 54.4530 43.5159 173.4853 *38 S 4.0469 8.3068 115.2640 58.1405 62.9963 172.2129 39 V 4.1707 8.5963 125.9332 63.9498 33.0935 175.6096 40 S 4.6395 7.5047 112.3668 56.7134 65.5282 173.7214 41 L 4.0635 8.6207 127.6143 56.4643 42.5388 176.2027 42 N 4.8199 7.8006 116.6768 50.4742 40.0289 172.3149 43 P 4.4654 0.0000 0.0000 61.6614 32.6641 176.3017 44 K 4.5171 8.3841 117.5071 56.3878 32.3538 176.3409 45 L 5.4788 8.9546 125.4630 52.8415 46.0243 176.2252 46 V 4.9482 8.8509 120.4570 60.4050 35.7875 173.6400 47 L 5.4244 8.1160 121.1285 53.7584 45.6316 174.5369 48 V 4.8897 8.9176 124.2334 59.9497 35.1736 174.1439 49 S 5.2478 8.6823 116.9383 56.7644 64.3278 173.1164 50 I 4.6442 8.8601 128.4061 59.0772 40.1603 175.7412 51 G 3.7501 8.6318 113.8749 45.9485 0.0000 174.4299 52 E 4.1678 8.6919 120.2552 58.3230 29.8122 178.0385 53 K 4.2454 7.8553 116.4778 56.2499 32.7680 176.2329 54 A 4.3002 7.5766 123.5306 51.2832 18.6922 179.5146 55 K 3.9610 8.5445 126.0055 56.0163 31.9683 179.0197 *57 L 4.3345 8.0185 120.9148 55.1156 44.0491 178.2338 58 E 4.2931 7.9229 117.8343 58.7323 29.4506 178.8832 59 K 3.8315 7.6343 118.3763 59.5430 32.0968 179.3416 60 I 3.6263 7.4355 119.3589 64.1845 36.5871 178.1545 61 Q 4.1673 8.1368 119.0317 59.1786 28.3310 179.2727 62 Q 4.0208 8.0480 118.0740 59.0585 29.0335 178.5483 63 S 4.2092 8.0573 113.7039 59.0492 63.3670 174.3915 64 K 4.0150 8.5668 121.1141 56.3612 30.0845 174.3823 65 K 5.0412 7.5789 115.3071 56.5180 35.7373 174.1921 66 Y 5.0221 8.2127 117.1311 56.2775 41.6202 172.9037 67 A 5.1366 9.0361 122.8363 50.2452 22.6102 175.4095 68 V 4.3202 8.8915 121.4730 61.3727 33.7194 174.4782 69 N 5.1098 8.8664 126.9425 51.4985 39.9740 174.2268 70 I 4.1750 8.2608 126.3682 61.0934 38.4480 175.6706 71 L 4.9403 9.1210 128.3055 54.0854 43.3369 177.0558 72 S 4.7281 9.2391 118.5347 57.4389 64.3842 174.8502 73 Q 3.9693 9.0507 122.0308 59.3265 28.6792 177.1891 74 D 4.7690 8.0159 115.4549 54.4528 40.9747 176.4234 75 Q 4.6252 7.8084 118.3003 55.3774 29.6642 177.7504 76 K 3.5796 8.1978 121.8310 59.3750 32.3939 178.1946 77 V 3.6763 7.6028 117.3669 65.7017 31.9349 176.9441 78 L 4.0955 7.9306 119.5517 57.8966 41.7318 179.2848 79 S 4.3459 8.1127 109.4184 59.5846 62.3339 175.0325 *81 N 4.4844 8.2136 117.6074 53.4566 39.9611 175.8796 82 F 4.5112 8.2475 113.0404 58.3987 39.0525 175.9241 83 A 4.4782 7.8335 123.3917 51.5377 19.0962 177.5923 84 G 3.8711 8.0545 103.9251 46.8333 0.0000 174.7426 85 Q 4.4871 8.1433 116.0870 55.1985 29.7534 175.5323 86 L 4.7316 7.3576 117.7736 52.6915 43.8278 176.4071 87 E 4.1008 8.7727 121.3103 58.6984 29.6892 177.7666 88 K 4.5623 7.5477 117.5495 53.7196 35.2151 173.7996 89 P 4.5472 0.0000 0.0000 62.0549 32.0867 176.7937 90 V 3.6305 8.5166 115.7144 61.1418 31.9874 176.1789 91 D 4.4674 8.3686 122.5202 53.6058 40.5178 175.7197 92 V 3.8579 7.9942 126.6609 61.6123 32.8696 175.3573 93 Q 4.2590 8.1750 125.6845 55.3032 29.4278 174.5588 94 F 5.4331 8.6595 123.3168 56.1040 41.2238 175.5943 95 E 5.0254 9.2029 120.6005 54.9509 32.9469 173.8698 96 E 5.0868 8.6872 118.2223 54.9928 33.0307 175.8071 97 L 4.2773 9.1362 126.9512 55.0184 44.9550 175.4421 98 G 3.8654 9.2851 114.3530 45.6879 0.0000 174.0531 99 G 3.9213 8.6154 105.7478 44.8283 0.0000 173.8949 100 L 4.7460 7.5102 119.8371 51.5893 44.1596 173.9906 101 P 4.8582 0.0000 0.0000 63.1533 31.9700 175.9015 102 V 4.7456 9.0701 115.9322 59.6248 36.5712 174.3815 103 I 4.5351 9.0143 124.1385 59.8143 38.3434 175.8177 104 K 3.9713 8.3457 128.8872 58.1618 32.4275 176.3382 105 D 4.4796 8.9261 123.0073 54.4708 38.4460 174.0910 106 A 4.3460 7.3787 122.2771 52.1202 19.2007 177.7677 107 L 4.1713 8.8218 122.5248 57.4916 43.2095 176.9436 108 A 5.1521 7.7023 117.6423 50.7629 22.9449 174.9991 109 Q 5.0037 9.5572 118.8738 54.1663 32.9217 174.9117 110 I 4.8997 8.6058 123.5491 59.9415 41.0780 174.3103 111 S 4.9594 9.0259 124.3494 57.3968 64.8789 173.5307 112 C 5.1800 8.7947 120.4303 58.1067 32.8905 172.7596 113 Q 4.8072 8.5877 120.6414 53.7103 30.9258 175.4118 114 V 4.1743 8.4876 124.9509 63.6970 31.5209 175.9636 115 V 4.4753 8.9639 120.3370 61.4679 33.8489 175.2184 116 N 4.9800 7.9143 117.5648 52.4435 42.3942 172.6670 117 E 5.0439 8.7103 123.1323 54.4940 33.1784 175.4093 118 V 4.2463 8.4247 123.5857 60.8472 34.5932 174.3425 119 Q 4.4196 8.7227 129.6017 56.2163 30.1944 176.0000 120 A 4.3836 9.3664 129.5715 51.4444 21.2149 177.4097 121 G 3.7617 8.3172 114.6653 47.0454 0.0000 174.6044 122 D 4.4957 8.8868 124.2038 56.9530 40.9298 175.3680 123 H 5.3800 8.2224 114.4423 54.1760 33.7118 172.4143 124 T 4.8595 8.8232 116.4338 61.7498 71.4851 173.5124 125 L 4.6589 8.9068 127.1057 54.1568 43.3383 175.7792 126 F 5.0978 9.3239 124.1234 55.9253 40.9428 175.0312 127 I 4.7104 8.7501 126.5335 60.5231 38.4136 175.4285 128 G 4.3752 9.3148 114.8743 44.1835 0.0000 171.3459 129 E 4.7942 8.9797 126.3728 55.3368 31.0675 175.5594 130 V 4.2580 8.5439 128.3547 63.2555 31.4994 175.5482 131 T 4.5027 8.8981 118.3745 62.7696 70.1944 174.6348 132 D 4.8604 7.7101 120.0538 52.9895 45.5721 174.4818 133 I 4.9821 8.2460 121.5666 59.5500 41.4137 174.5441 134 K 4.6728 9.2747 126.7243 54.7460 35.4184 174.9236 135 I 5.0692 8.5027 126.7842 59.7346 40.5483 174.3001 136 T 4.7091 8.6197 114.2154 59.7115 72.8964 173.5274 137 E 4.4307 8.4462 118.2357 56.3252 30.0532 176.8885 138 Q 4.2967 7.8750 116.9355 55.6549 29.9680 175.5176 139 D 4.8556 8.3329 119.2687 53.4220 42.4954 173.9911 140 P 5.1020 0.0000 0.0000 61.4721 33.3078 175.1922 141 L 4.2910 8.5215 124.5597 55.3103 43.2722 175.6955 142 L 5.3848 8.9253 125.0824 52.9931 45.9248 175.1055 143 F 5.3508 9.4088 123.2078 56.6377 42.8945 173.4383 144 F 4.8676 8.8392 126.7588 57.8539 43.3256 174.0851 145 S 3.2602 8.8969 121.9844 59.4598 60.7017 173.5903 146 G 3.6584 7.6837 105.1306 45.3900 0.0000 174.0108 147 K 4.4308 6.8058 118.1301 54.0271 35.7564 175.1885 148 Y 4.9980 8.2235 118.4967 58.8906 38.9118 174.4791 149 H 5.0338 9.3935 118.4840 55.0804 34.1956 172.0589 150 Q 4.9955 8.4543 117.2209 53.8220 32.5631 175.8139 151 L 4.0660 8.4942 120.5499 54.3237 42.3752 177.3100 152 A 4.0906 8.4131 125.5202 52.4752 19.0323 177.6941 153 Q 4.2354 8.5583 120.1686 56.0170 29.0578 175.6968 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 2 D 8.22 4.62 0.00 2.79 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 3 D 8.64 4.31 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.72 3.89 0.00 1.98 1.94 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 5 L 7.90 3.93 0.00 1.82 1.86 0.93 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 6 F 7.87 4.15 0.00 3.03 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 7 R 8.13 3.93 0.00 1.93 1.98 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 8 N 8.14 4.42 0.00 2.85 2.82 0.00 0.00 7.03 7.34 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 9 A 7.85 4.07 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 *11 G 8.08 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 12 K 7.84 4.01 0.00 1.97 1.98 0.00 1.70 0.00 0.00 1.25 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.49 7.81 13 F 8.03 4.60 0.00 2.96 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 14 A 8.15 4.69 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 15 T 8.93 4.60 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 1.46 0.00 0.00 16 G 8.52 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 17 V 8.33 4.79 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 0.95 0.00 0.00 1.12 0.00 0.00 18 T 8.88 5.09 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 1.04 0.00 0.00 19 V 8.34 4.48 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.93 0.00 0.00 20 I 8.18 4.76 1.76 0.00 0.00 0.79 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 0.59 0.77 0.00 0.00 21 T 8.72 5.09 4.14 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 1.10 0.00 0.00 22 T 8.80 4.90 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 1.18 0.00 0.00 23 E 8.55 5.03 0.00 1.87 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 2.12 2.19 0.00 24 L 8.79 4.40 0.00 1.68 1.50 0.91 0.87 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 25 N 9.91 4.24 0.00 2.86 2.80 0.00 0.00 7.31 7.65 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 26 G 8.23 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 0.00 0.00 0.00 0.00 27 A 7.39 4.04 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 28 V 7.99 4.30 1.58 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 -0.14 0.00 0.00 0.52 0.00 0.00 29 H 9.23 5.00 0.00 3.03 3.15 0.00 5.61 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 30 G 8.44 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 0.00 0.00 0.00 0.00 *32 T 8.43 4.42 4.29 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 1.22 0.00 0.00 33 A 8.84 4.72 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 34 N 8.70 4.97 0.00 3.02 2.92 0.00 0.00 6.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.74 4.39 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 36 F 7.63 5.74 0.00 2.96 3.01 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 *38 S 8.31 4.05 0.00 3.87 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 39 V 8.60 4.17 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 0.81 0.00 0.00 0.88 0.00 0.00 40 S 7.50 4.64 0.00 3.83 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 41 L 8.62 4.06 0.00 1.62 1.66 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.80 4.82 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.47 0.00 2.28 2.08 0.00 3.76 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 1.99 1.99 0.00 44 K 8.38 4.52 0.00 1.74 1.83 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.66 7.81 45 L 8.95 5.48 0.00 1.55 1.53 0.93 0.87 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 46 V 8.85 4.95 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.09 0.00 0.00 47 L 8.12 5.42 0.00 1.74 1.45 0.90 0.72 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 48 V 8.92 4.89 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 0.30 0.00 0.00 0.94 0.00 0.00 49 S 8.68 5.25 0.00 3.93 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 50 I 8.86 4.64 2.17 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 1.16 0.69 0.97 0.00 0.00 51 G 8.63 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 0.00 0.00 0.00 52 E 8.69 4.17 0.00 2.10 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 2.36 2.27 0.00 53 K 7.86 4.25 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.48 7.81 54 A 7.58 4.30 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 55 K 8.54 3.96 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.45 7.81 *57 L 8.02 4.33 0.00 1.82 1.80 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.92 4.29 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.19 0.00 59 K 7.63 3.83 0.00 1.72 1.81 0.00 1.31 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.61 1.48 7.81 60 I 7.44 3.63 0.99 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.39 0.22 0.00 0.00 61 Q 8.14 4.17 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.91 2.87 0.00 62 Q 8.05 4.02 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 63 S 8.06 4.21 0.00 4.01 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 64 K 8.57 4.01 0.00 1.94 1.94 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.53 7.81 65 K 7.58 5.04 0.00 1.77 1.69 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.36 7.81 66 Y 8.21 5.02 0.00 3.07 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 67 A 9.04 5.14 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 68 V 8.89 4.32 1.90 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 0.15 0.00 0.00 1.14 0.00 0.00 69 N 8.87 5.11 0.00 2.63 2.69 0.00 0.00 6.58 7.65 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 70 I 8.26 4.17 1.83 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 1.02 0.69 0.91 0.00 0.00 71 L 9.12 4.94 0.00 1.63 1.58 0.95 0.85 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 72 S 9.24 4.73 0.00 3.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 9.05 3.97 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.19 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 74 D 8.02 4.77 0.00 2.70 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 75 Q 7.81 4.63 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.20 3.58 0.00 1.46 1.65 0.00 1.51 0.00 0.00 1.39 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.03 0.28 7.81 77 V 7.60 3.68 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.93 4.10 0.00 1.97 1.90 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.11 4.35 0.00 3.90 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 *81 N 8.21 4.48 0.00 2.74 2.62 0.00 0.00 7.13 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 82 F 8.25 4.51 0.00 3.14 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 83 A 7.83 4.48 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 84 G 8.05 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 0.00 0.00 0.00 85 Q 8.14 4.49 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 86 L 7.36 4.73 0.00 1.56 1.63 0.84 0.90 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 87 E 8.77 4.10 0.00 1.94 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 2.31 2.24 0.00 88 K 7.55 4.56 0.00 1.61 1.59 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.45 7.81 89 P 0.00 4.55 0.00 2.00 1.83 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 90 V 8.52 3.63 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 0.52 0.00 0.00 0.76 0.00 0.00 91 D 8.37 4.47 0.00 2.60 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 92 V 7.99 3.86 1.75 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 0.20 0.00 0.00 0.91 0.00 0.00 93 Q 8.18 4.26 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 94 F 8.66 5.43 0.00 2.96 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 95 E 9.20 5.03 0.00 1.98 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 0.00 2.20 2.24 0.00 96 E 8.69 5.09 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 97 L 9.14 4.28 0.00 1.70 1.45 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.29 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 0.00 0.00 0.00 99 G 8.62 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 0.00 100 L 7.51 4.75 0.00 1.85 1.52 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.86 0.00 1.71 1.81 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 102 V 9.07 4.75 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.04 0.00 0.00 103 I 9.01 4.54 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.03 0.83 0.00 0.00 104 K 8.35 3.97 0.00 1.78 1.67 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 105 D 8.93 4.48 0.00 2.85 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 0.00 106 A 7.38 4.35 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 0.00 107 L 8.82 4.17 0.00 1.80 1.92 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.70 5.15 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 0.00 109 Q 9.56 5.00 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 110 I 8.61 4.90 1.87 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 1.26 0.64 0.97 0.00 0.00 111 S 9.03 4.96 0.00 3.72 3.71 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 0.00 112 C 8.79 5.18 0.00 1.90 2.29 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 0.00 113 Q 8.59 4.81 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 114 V 8.49 4.17 2.27 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 1.02 0.00 0.00 1.13 0.00 0.00 115 V 8.96 4.48 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 0.72 0.00 0.00 1.00 0.00 0.00 116 N 7.91 4.98 0.00 2.79 2.62 0.00 0.00 6.98 7.65 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 0.00 117 E 8.71 5.04 0.00 1.79 1.61 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 1.92 2.38 0.00 118 V 8.42 4.25 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 0.76 0.00 0.00 0.89 0.00 0.00 119 Q 8.72 4.42 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.37 4.38 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 0.00 121 G 8.32 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 0.00 0.00 0.00 122 D 8.89 4.50 0.00 2.85 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 0.00 123 H 8.22 5.38 0.00 3.10 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.82 4.86 4.06 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 0.51 0.00 0.00 125 L 8.91 4.66 0.00 1.46 1.56 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.32 5.10 0.00 2.84 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 0.00 127 I 8.75 4.71 1.94 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 1.20 0.64 0.96 0.00 0.00 128 G 9.31 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 0.00 129 E 8.98 4.79 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 130 V 8.54 4.26 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 0.87 0.00 0.00 0.97 0.00 0.00 131 T 8.90 4.50 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 1.23 0.00 0.00 132 D 7.71 4.86 0.00 2.55 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 0.00 133 I 8.25 4.98 1.88 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 1.25 0.61 0.92 0.00 0.00 134 K 9.27 4.67 0.00 1.80 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 135 I 8.50 5.07 1.88 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 1.41 0.80 0.92 0.00 0.00 136 T 8.62 4.71 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 1.26 0.00 0.00 137 E 8.45 4.43 0.00 1.97 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 2.23 2.25 0.00 138 Q 7.87 4.30 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.33 4.86 0.00 2.61 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 0.00 140 P 0.00 5.10 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 141 L 8.52 4.29 0.00 2.01 1.65 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.93 5.38 0.00 1.78 1.59 0.94 0.86 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 0.00 143 F 9.41 5.35 0.00 3.04 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 0.00 144 F 8.84 4.87 0.00 3.00 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 0.00 145 S 8.90 3.26 0.00 2.77 3.48 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 0.00 146 G 7.68 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 0.00 147 K 6.81 4.43 0.00 1.60 1.49 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.22 7.81 148 Y 8.22 5.00 0.00 2.97 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 0.00 149 H 9.39 5.03 0.00 3.10 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.45 5.00 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 151 L 8.49 4.07 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.41 4.09 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 0.00 153 Q 8.56 4.24 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.