NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4560 8.3049 120.3497 54.8172 34.1206 176.1012 2 N 4.2019 8.3674 115.5967 55.7506 38.9924 173.3808 3 R 4.5120 7.9047 118.1947 53.9892 32.1330 176.4173 4 G 3.6366 8.6627 113.1594 47.9696 0.0000 174.5773 5 A 3.8981 7.9987 121.7446 54.4572 18.7411 178.9545 6 L 3.8867 7.8177 118.4601 58.7148 42.1668 179.3540 7 I 3.9444 7.6600 118.7426 64.0329 36.9465 178.4048 8 K 4.1684 7.5717 119.0642 58.6413 31.7889 179.3977 9 L 3.9940 8.0475 119.1450 57.7186 41.6944 179.0018 10 V 3.7176 7.9679 117.1483 66.3660 31.4706 177.0471 11 E 4.2424 7.8618 116.9840 59.1779 30.0432 178.9450 12 S 4.5350 8.1572 121.1552 58.7619 61.9599 173.9792 13 R 4.5979 8.4670 126.1672 56.0645 30.7542 176.0826 14 Y 4.6295 7.7683 113.7334 57.6898 38.7731 176.5302 15 V 3.9087 7.5561 112.3179 61.2228 32.4790 176.3171 16 R 4.5763 8.1952 121.6124 55.9989 31.5882 176.7916 17 T 4.5385 7.8971 112.1819 60.8074 67.7782 173.8980 18 D 4.7724 8.0487 117.1409 52.2027 41.6468 175.1861 19 L 4.2741 7.7938 120.3510 53.3207 42.4657 174.8498 20 P 4.2492 0.0000 0.0000 62.8725 31.8142 175.6122 21 E 4.0311 8.6648 123.5260 55.7426 29.9405 175.6570 22 F 5.0552 7.5571 120.0694 55.5891 41.4605 173.3674 23 R 4.5020 8.8416 114.5394 55.7936 31.3927 175.0901 24 P 4.6792 0.0000 0.0000 66.8731 29.7288 176.5857 25 G 3.7867 8.8519 104.3770 45.2027 0.0000 175.1457 26 D 4.5628 8.3696 113.6277 54.2200 43.3320 174.8272 27 T 4.3913 7.2201 117.2633 62.7700 70.8613 172.9592 28 V 4.7301 7.0833 111.9420 62.8163 33.8536 171.5240 29 R 4.3597 8.6130 123.7338 55.3855 33.2136 174.1919 30 V 3.6271 7.8370 112.8360 61.4948 36.1699 174.8958 31 S 3.8095 7.2161 120.3471 58.0501 67.4896 174.1584 32 Y 4.4195 8.1341 117.6720 57.1595 43.8093 172.7868 33 K 3.6569 8.5847 122.8099 55.9998 30.7533 174.4973 34 V 4.3406 8.0971 122.6028 60.5460 33.2537 174.8461 35 K 4.1204 8.5447 124.6060 57.6255 33.8276 175.7169 36 E 3.6383 9.7542 118.2100 56.5656 30.0049 174.2430 37 G 4.1662 9.6224 106.4408 45.1603 0.0000 171.3066 38 N 4.6905 6.5381 125.8960 52.2570 43.7221 176.4940 39 R 5.5874 8.3176 119.5629 57.1268 31.3428 173.9645 40 T 4.7646 8.0455 111.1752 63.1072 70.5713 171.8226 41 R 4.1452 8.7886 118.6838 55.9361 29.5257 177.3687 42 I 3.1190 7.2953 102.8814 61.7553 35.9968 172.8707 43 Q 4.4341 8.3640 129.3261 55.5183 30.6838 173.9952 44 D 5.1815 8.5373 123.2818 52.7357 43.4623 176.1462 45 F 4.6369 8.5641 122.9780 56.5529 41.7142 173.4201 46 E 4.1254 8.2028 127.8007 55.1706 29.9362 175.1944 47 G 3.8696 7.2948 112.0200 45.7318 0.0000 172.3213 48 I 4.3171 7.9564 121.2576 60.5792 38.9351 176.2564 49 V 4.5428 8.2806 125.9788 61.0699 32.2469 176.6921 50 I 3.7954 8.7202 128.2450 64.0633 38.2535 176.0360 51 R 4.6793 7.6470 119.0434 55.8931 33.5234 174.1005 52 I 5.6540 8.1295 122.9132 59.4113 40.3455 175.0247 53 R 4.3523 8.7544 126.9111 55.8088 31.5589 175.8573 54 R 4.9201 8.3940 121.5298 53.9554 32.6853 176.6580 55 N 4.7092 8.6890 122.3990 52.0774 38.9867 174.4245 56 G 3.9991 7.9107 105.6067 45.5919 0.0000 176.7538 57 F 4.7377 8.1720 123.9150 58.6810 42.6065 175.9945 58 N 3.5545 5.9096 114.0334 53.0824 35.9141 173.7648 59 T 4.6868 7.6086 111.8585 61.9409 71.2431 174.1578 60 T 5.3259 8.5136 112.8692 60.3581 72.9429 172.1555 61 F 5.7361 8.9454 115.0697 56.1252 41.6663 173.3534 62 T 5.0981 9.1862 110.6892 60.0910 72.1017 172.6662 63 V 5.0659 8.8177 123.5967 61.2805 34.6754 174.0736 64 R 5.3128 9.2701 127.7358 54.8981 32.7928 174.4151 65 K 4.6394 8.9820 124.9698 55.4004 36.6229 174.5184 66 V 4.5004 8.0753 122.6713 61.3134 33.7108 175.8144 67 S 4.1473 9.4963 126.5980 58.0641 61.0195 173.1426 68 Y 3.7240 7.6206 123.4030 57.8541 36.2785 170.0251 69 G 4.2489 8.2324 107.6465 45.1378 0.0000 171.7129 70 V 4.4897 7.8213 119.1499 60.5965 34.7850 175.1842 71 G 4.2224 8.7271 113.9837 46.0546 0.0000 173.0879 72 V 4.6647 9.4513 122.5567 61.0528 35.1575 173.6559 73 E 5.3242 9.0023 126.7442 54.6769 32.0782 175.4505 74 R 4.3366 9.0776 123.0134 54.1422 33.6154 174.7184 75 I 4.5921 7.6416 122.5561 59.4705 39.5963 174.8963 76 F 4.9688 8.5703 125.8087 55.0914 41.6808 175.0994 77 P 4.4057 0.0000 0.0000 63.7909 31.5131 177.6280 78 L 4.3608 9.7984 116.4715 55.0975 39.1607 173.5910 79 H 4.9078 7.9306 113.9032 55.7851 32.5165 172.1347 80 S 4.5895 8.9130 122.0827 58.2019 61.6749 168.4707 81 P 4.5467 0.0000 0.0000 64.4035 31.7978 177.3582 82 L 4.8397 8.4372 117.4636 55.5293 40.7077 176.7397 83 I 3.9675 8.4049 117.1553 62.8740 38.2613 175.6939 84 Q 4.8119 7.5450 117.0173 53.7716 31.5913 175.3473 85 K 4.4718 8.0716 115.6896 54.2381 31.9951 176.5513 86 I 3.7070 7.9304 118.7911 61.3341 38.6113 173.5878 87 D 5.0093 8.2698 125.2640 51.1576 40.5821 175.2892 88 I 3.4261 7.8967 125.2173 63.5765 37.8414 175.7110 89 V 4.2489 8.0402 122.6951 61.1925 33.3239 176.8387 90 Q 4.3727 8.7845 123.0465 56.8417 30.0504 177.7608 91 R 3.9792 9.2534 118.1799 57.7511 28.8057 177.7283 92 G 3.8646 9.6319 107.4300 46.5739 0.0000 173.0987 93 R 3.8133 7.7604 119.4068 56.5753 29.3322 175.5330 94 A 4.8932 8.2865 127.0876 50.5976 21.8483 175.9080 95 R 4.5745 8.5002 116.8521 55.8823 30.6721 176.7031 96 R 4.6748 7.5264 113.0226 54.3261 32.2080 174.7283 97 A 4.0464 8.6395 122.8427 54.7249 18.7196 177.5500 98 K 4.3808 7.8620 113.7947 54.7274 33.8907 177.4542 99 L 5.0230 7.7616 123.5199 54.2547 39.9713 176.9435 100 Y 3.9718 7.8015 119.4696 60.4556 38.0451 177.1084 101 F 4.3184 8.6361 116.1656 59.9764 37.4559 177.3308 102 I 3.6501 6.6081 113.3164 63.6874 37.0894 178.0843 103 R 3.9466 7.9082 119.2917 58.3415 29.9166 176.8645 104 N 5.0404 7.5218 112.3904 52.9495 39.2830 175.2464 105 L 4.6019 8.0550 119.6842 53.2661 42.8706 177.0744 106 S 4.3298 8.3369 114.5800 59.4025 63.0238 173.0921 107 D 4.5257 7.5380 132.9128 52.8716 42.5676 180.1669 108 R 4.0923 8.2789 113.6443 58.7251 29.4392 178.2021 109 E 3.9876 8.2059 119.7851 59.2292 29.4226 179.0751 110 I 3.7294 7.7827 119.3515 64.7159 37.0357 178.4359 111 R 4.0103 7.4001 116.0214 59.3448 29.9078 178.8519 112 R 4.0614 7.9273 117.8291 59.1171 30.1322 178.3681 113 K 4.4541 8.1851 117.6324 57.9133 32.8104 177.0181 114 L 4.5421 8.3127 120.8661 53.5160 41.1415 176.4437 115 R 4.7718 8.1876 121.5152 53.3098 33.7057 175.5693 116 A 3.8721 8.5561 122.1472 52.6188 18.8026 179.0901 117 D 4.5771 8.5519 124.1519 52.4909 38.2244 176.6591 118 R 3.8707 7.7217 124.2668 59.1627 30.8355 177.4336 119 K 3.7921 8.2392 118.4578 60.2166 31.8644 178.4905 120 R 4.1258 7.8074 115.8058 58.1903 30.3930 178.6506 121 I 4.1666 7.7293 120.3880 64.0848 37.5173 177.6391 122 D 4.4147 8.4365 120.4013 57.4916 40.6263 178.9829 123 Q 4.0726 7.7874 117.0714 59.1876 28.4340 178.2065 124 D 4.5521 7.7404 119.8093 57.5935 41.0771 177.5300 125 R 4.0166 8.2658 119.2610 56.7157 29.9682 178.1520 126 A 4.0257 7.9707 121.4582 55.6758 18.7626 179.3091 127 A 4.2810 8.0999 115.2599 53.1237 18.1251 178.2635 128 E 3.7985 8.7836 119.4885 59.2067 30.5986 178.0380 129 R 3.4405 7.2887 116.4505 57.2652 28.3541 174.8758 130 A 4.3866 8.6987 118.3502 52.7146 19.3868 179.4360 131 A 4.2944 7.7277 124.5685 53.1800 16.9824 179.0085 132 K 4.3082 7.9431 123.6021 56.1690 30.0273 177.8884 133 E 4.2605 7.6410 120.1656 54.4026 28.6959 173.3053 134 E 4.2866 7.9651 122.3940 55.4146 31.7561 174.3063 135 A 3.7176 8.9364 128.7749 53.1425 15.2387 177.0837 136 Q 4.3752 7.6459 116.0261 57.9588 32.3871 176.1282 137 K 4.1555 7.5428 121.1468 55.0250 31.4441 176.5014 *138 A 4.1219 7.6299 126.0615 52.5830 18.7921 176.7903 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 M 8.30 4.46 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 N 8.37 4.20 0.00 2.84 2.87 0.00 0.00 6.81 6.78 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 3 R 7.90 4.51 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 4 G 8.66 3.64 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 0.00 0.00 0.00 5 A 8.00 3.90 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 6 L 7.82 3.89 0.00 1.73 1.89 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.66 3.94 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 1.53 0.67 0.93 0.00 0.00 8 K 7.57 4.17 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 9 L 8.05 3.99 0.00 1.80 1.74 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.97 3.72 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 0.80 0.00 0.00 0.93 0.00 0.00 11 E 7.86 4.24 0.00 2.27 2.30 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 2.40 2.54 0.00 12 S 8.16 4.53 0.00 4.02 3.55 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 13 R 8.47 4.60 0.00 1.52 1.69 0.00 3.31 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.48 0.00 14 Y 7.77 4.63 0.00 2.66 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 15 V 7.56 3.91 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 0.47 0.00 0.00 0.88 0.00 0.00 16 R 8.20 4.58 0.00 1.63 1.80 0.00 3.67 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 17 T 7.90 4.54 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 1.20 0.00 0.00 18 D 8.05 4.77 0.00 2.76 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 19 L 7.79 4.27 0.00 1.66 1.67 1.00 1.05 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 20 P 0.00 4.25 0.00 2.10 2.03 0.00 3.70 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 2.12 2.10 0.00 21 E 8.66 4.03 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 22 F 7.56 5.06 0.00 3.04 2.90 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 23 R 8.84 4.50 0.00 1.95 1.95 0.00 2.96 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 24 P 0.00 4.68 0.00 2.14 2.26 0.00 3.69 0.00 0.00 5.23 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 25 G 8.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.37 4.56 0.00 2.69 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 27 T 7.22 4.39 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 0.83 0.00 0.00 28 V 7.08 4.73 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 0.68 0.00 0.00 0.85 0.00 0.00 29 R 8.61 4.36 0.00 1.63 1.70 0.00 3.30 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 30 V 7.84 3.63 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 1.02 0.00 0.00 1.02 0.00 0.00 31 S 7.22 3.81 0.00 2.72 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 32 Y 8.13 4.42 0.00 3.07 3.12 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 33 K 8.58 3.66 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.23 1.45 7.81 34 V 8.10 4.34 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 0.91 0.00 0.00 0.98 0.00 0.00 35 K 8.54 4.12 0.00 1.98 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.23 7.81 36 E 9.75 3.64 0.00 2.13 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 2.19 2.24 0.00 37 G 9.62 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 0.00 0.00 0.00 0.00 38 N 6.54 4.69 0.00 2.81 2.17 0.00 0.00 6.25 7.66 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 39 R 8.32 5.59 0.00 2.03 2.10 0.00 3.01 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 40 T 8.05 4.76 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 1.24 0.00 0.00 41 R 8.79 4.15 0.00 1.94 2.31 0.00 3.49 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 42 I 7.30 3.12 1.88 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 1.30 0.62 0.94 0.00 0.00 43 Q 8.36 4.43 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 44 D 8.54 5.18 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.56 4.64 0.00 3.02 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 46 E 8.20 4.13 0.00 1.81 1.63 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 2.11 2.17 0.00 47 G 7.29 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 48 I 7.96 4.32 1.83 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 1.23 0.57 0.96 0.00 0.00 49 V 8.28 4.54 2.24 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 0.92 0.00 0.00 1.32 0.00 0.00 50 I 8.72 3.80 1.84 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 1.07 0.74 0.64 0.00 0.00 51 R 7.65 4.68 0.00 1.60 1.52 0.00 3.17 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 52 I 8.13 5.65 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.95 0.00 0.00 53 R 8.75 4.35 0.00 1.83 1.87 0.00 3.12 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 54 R 8.39 4.92 0.00 1.67 1.83 0.00 3.24 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 55 N 8.69 4.71 0.00 2.64 2.84 0.00 0.00 7.06 7.98 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 56 G 7.91 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 57 F 8.17 4.74 0.00 2.95 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 58 N 5.91 3.55 0.00 2.64 2.48 0.00 0.00 5.84 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 59 T 7.61 4.69 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 60 T 8.51 5.33 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 61 F 8.95 5.74 0.00 3.55 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 62 T 9.19 5.10 4.32 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 1.22 0.00 0.00 63 V 8.82 5.07 2.80 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 1.11 0.00 0.00 1.23 0.00 0.00 64 R 9.27 5.31 0.00 1.89 1.72 0.00 3.41 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 65 K 8.98 4.64 0.00 1.56 1.32 0.00 1.47 0.00 0.00 1.34 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.01 1.28 7.81 66 V 8.08 4.50 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 0.91 0.00 0.00 0.91 0.00 0.00 67 S 9.50 4.15 0.00 3.98 4.02 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 68 Y 7.62 3.72 0.00 3.20 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 69 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 70 V 7.82 4.49 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 0.98 0.00 0.00 0.98 0.00 0.00 71 G 8.73 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 0.00 0.00 0.00 0.00 72 V 9.45 4.66 2.35 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 1.12 0.00 0.00 1.06 0.00 0.00 73 E 9.00 5.32 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 74 R 9.08 4.34 0.00 0.85 0.66 0.00 2.48 0.00 0.00 2.72 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 75 I 7.64 4.59 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 0.83 0.00 0.00 76 F 8.57 4.97 0.00 2.14 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 77 P 0.00 4.41 0.00 2.16 2.12 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 78 L 9.80 4.36 0.00 2.29 2.26 0.94 0.94 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 79 H 7.93 4.91 0.00 3.32 3.39 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.91 4.59 0.00 4.13 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 0.00 81 P 0.00 4.55 0.00 1.09 1.65 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.88 0.00 82 L 8.44 4.84 0.00 1.80 1.83 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.40 3.97 1.90 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 1.49 0.62 0.97 0.00 0.00 84 Q 7.55 4.81 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.50 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 85 K 8.07 4.47 0.00 1.69 1.67 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.42 7.81 86 I 7.93 3.71 1.85 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 1.44 1.33 0.87 0.00 0.00 87 D 8.27 5.01 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.43 1.82 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 1.23 0.81 0.87 0.00 0.00 89 V 8.04 4.25 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 0.99 0.00 0.00 0.90 0.00 0.00 90 Q 8.78 4.37 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 91 R 9.25 3.98 0.00 1.82 1.67 0.00 3.25 0.00 0.00 3.17 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 92 G 9.63 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.76 3.81 0.00 1.98 1.94 0.00 3.40 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.75 0.00 94 A 8.29 4.89 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 95 R 8.50 4.57 0.00 1.80 1.96 0.00 3.37 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 96 R 7.53 4.67 0.00 1.93 1.88 0.00 2.94 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 97 A 8.64 4.05 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 98 K 7.86 4.38 0.00 1.87 1.80 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.39 7.81 99 L 7.76 5.02 0.00 1.50 2.00 0.87 0.57 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 0.00 100 Y 7.80 3.97 0.00 3.10 3.08 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 0.00 101 F 8.64 4.32 0.00 3.26 3.41 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 0.00 102 I 6.61 3.65 1.69 0.00 0.00 0.72 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 0.93 0.22 0.00 0.00 103 R 7.91 3.95 0.00 1.89 2.11 0.00 3.18 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 104 N 7.52 5.04 0.00 2.79 2.84 0.00 0.00 6.77 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 0.00 105 L 8.06 4.60 0.00 1.65 1.83 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.34 4.33 0.00 3.96 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 0.00 107 D 7.54 4.53 0.00 2.80 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.28 4.09 0.00 2.07 2.23 0.00 2.98 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 109 E 8.21 3.99 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 110 I 7.78 3.73 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.91 0.87 0.00 0.00 111 R 7.40 4.01 0.00 1.91 2.01 0.00 3.15 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 112 R 7.93 4.06 0.00 1.98 2.12 0.00 3.27 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 113 K 8.19 4.45 0.00 2.08 2.07 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.88 7.81 114 L 8.31 4.54 0.00 1.56 1.65 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.19 4.77 0.00 1.67 1.83 0.00 3.40 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 116 A 8.56 3.87 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 0.00 117 D 8.55 4.58 0.00 2.93 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 0.00 118 R 7.72 3.87 0.00 1.86 1.99 0.00 3.37 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 119 K 8.24 3.79 0.00 1.82 2.03 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 120 R 7.81 4.13 0.00 1.84 1.98 0.00 3.21 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 121 I 7.73 4.17 2.04 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 1.52 1.38 0.91 0.00 0.00 122 D 8.44 4.41 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.79 4.07 0.00 2.40 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 124 D 7.74 4.55 0.00 2.92 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 0.00 125 R 8.27 4.02 0.00 2.08 1.79 0.00 3.33 0.00 0.00 3.34 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.63 0.00 126 A 7.97 4.03 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 0.00 127 A 8.10 4.28 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 0.00 128 E 8.78 3.80 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 129 R 7.29 3.44 0.00 1.90 2.14 0.00 3.37 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 130 A 8.70 4.39 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 0.00 131 A 7.73 4.29 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 0.00 132 K 7.94 4.31 0.00 1.76 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 133 E 7.64 4.26 0.00 1.92 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 2.24 2.28 0.00 134 E 7.97 4.29 0.00 1.88 1.77 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 2.18 2.35 0.00 135 A 8.94 3.72 1.39 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 0.00 0.00 136 Q 7.65 4.38 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.45 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 137 K 7.54 4.16 0.00 1.74 1.82 0.00 1.85 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *138 A 7.63 4.12 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 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.