NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.5071 8.2931 118.7929 54.2377 32.8426 176.8032 2 G 4.1019 8.4893 106.4328 44.9292 0.0000 170.4123 *3 R 4.5029 7.9764 117.9028 56.6848 33.3737 173.4960 *4 V 4.2295 8.1631 121.3926 61.4318 34.7512 175.9554 *5 R 3.4777 7.6582 116.5809 57.7109 28.3410 176.3768 6 T 4.4468 7.9513 101.8445 63.0216 71.1957 171.9325 7 K 4.5376 9.0506 124.9353 57.2723 30.8647 178.2636 8 T 4.0117 7.7706 108.4853 64.5091 68.8840 176.7793 9 V 3.5588 7.6454 120.5326 65.7703 31.7014 177.9663 10 K 4.0041 8.1228 117.7434 59.2625 31.8607 179.0125 11 K 3.9098 7.7399 118.9775 59.7976 32.1693 178.9380 12 T 3.8768 8.0802 110.3373 64.7517 68.7268 176.5140 13 S 4.1122 8.1456 117.1969 61.1976 62.9090 176.6275 14 R 3.8521 8.1435 121.9069 59.2000 29.6692 179.1814 15 Q 4.5917 8.0764 117.5380 58.1118 28.9866 178.5826 16 V 3.7920 7.8807 119.8609 65.8677 31.3892 178.1432 17 I 3.6089 7.5277 119.4718 63.3539 36.9446 176.5634 18 E 3.6765 7.6233 118.8755 57.2542 29.8807 176.8417 19 K 4.1915 8.7749 123.0419 56.9926 30.4460 176.3547 20 Y 4.4161 7.7784 111.5284 59.7466 40.2254 171.9607 21 Y 3.8789 8.3752 123.5954 58.0612 38.4054 168.1319 22 S 4.6946 8.4468 118.4445 57.9468 62.0235 171.2811 23 R 4.6654 8.1218 123.6211 55.1507 33.3507 174.3271 24 M 4.2990 8.0419 120.2531 56.1392 33.4566 178.7038 25 T 4.7619 7.0687 112.9749 60.4211 72.3953 174.7764 26 L 4.1070 8.6355 122.4767 56.8221 41.8532 177.4391 27 D 4.0374 8.4584 117.2553 55.3632 40.4811 175.5972 28 F 4.5541 8.7934 132.2820 62.0890 39.5007 176.9246 29 H 4.2953 8.5298 115.6151 58.7839 28.3899 177.7272 30 T 3.8890 8.7267 112.2975 64.9013 68.5193 176.0826 31 N 4.3453 8.4414 120.0832 56.2457 38.8981 176.9653 32 K 3.9247 8.5096 120.3897 59.2565 32.0840 179.0064 33 K 4.0136 8.4691 120.5938 59.6833 32.0662 179.1785 34 V 3.6742 7.7010 119.1080 64.7318 31.0873 178.4282 35 L 4.0486 7.5447 118.5474 57.3707 41.4441 178.9570 36 E 4.0887 8.1052 118.3424 59.3089 29.5024 178.7904 37 E 4.0117 7.9459 117.7881 60.6728 30.3588 176.1368 38 V 4.5485 7.7202 119.0965 62.1595 34.9756 175.7036 39 S 3.6574 10.0518 116.8077 58.7564 62.6738 171.0671 40 I 3.4575 8.7801 119.3456 60.8018 33.8795 174.0664 41 L 4.4181 7.6046 126.1156 52.2643 41.2328 173.3118 42 P 4.6528 0.0000 0.0000 60.6177 32.0658 175.7842 43 S 4.4362 8.2502 118.1091 57.2069 63.4635 175.1831 44 K 3.9398 8.6616 122.9283 59.4602 31.8358 178.7808 45 R 4.4097 7.6930 114.3767 57.0744 31.4497 178.3781 46 L 4.1635 7.8663 118.2314 57.2952 41.5342 178.9431 47 R 3.9503 8.2022 116.5749 59.5511 29.0168 178.6575 48 N 4.3645 8.0708 116.2884 56.1411 38.6639 177.2936 49 K 4.0652 8.1721 119.7984 59.4970 32.1336 179.5708 50 V 3.6899 7.8584 117.7682 65.9547 31.5416 177.6361 51 A 4.1618 8.2066 120.7010 55.3092 18.1847 179.9075 52 G 4.0317 8.3506 104.2259 48.6744 0.0000 175.6543 53 F 4.1608 8.8770 123.7573 61.2095 39.3605 177.3555 54 T 3.7324 8.0317 109.5760 65.0578 68.6172 176.1887 55 T 3.7542 7.7594 113.4344 64.8593 68.5105 175.6516 56 H 4.0334 8.0366 118.8544 58.4424 28.7297 177.6459 57 L 3.8383 7.3012 120.3258 57.9670 41.3930 179.4116 58 M 3.9747 8.1044 118.6278 58.7011 31.8019 179.0591 59 R 4.0339 7.7170 115.6564 58.3843 30.2428 178.7510 60 R 4.1535 7.4797 117.3865 58.6471 30.3972 178.2675 61 I 4.0228 7.5795 118.7474 64.3060 37.8361 175.8667 62 Q 4.4415 7.8373 116.8823 54.0427 30.8628 174.7971 63 R 4.3088 8.4194 115.6707 56.8743 27.7136 173.8462 64 G 4.2134 8.0007 109.9939 42.6593 0.0000 170.8792 65 P 4.6647 0.0000 0.0000 62.3283 32.5810 175.6474 66 V 4.4723 8.0209 113.4584 62.9109 35.3631 174.5037 67 R 4.2386 7.7594 120.3494 56.6581 30.8351 175.9284 68 G 4.1500 8.0646 104.2474 46.1438 0.0000 174.7403 69 I 3.9641 7.7332 113.9727 63.0550 38.1668 178.5452 70 S 4.7261 7.7252 118.3268 54.2922 64.5751 174.4856 71 L 4.4735 8.8539 121.4297 57.3039 45.7413 172.8512 72 K 4.8128 7.2578 113.9126 56.7772 31.9801 174.0241 73 L 4.6177 8.3733 122.3528 56.9571 45.1485 176.3507 74 Q 3.3944 7.6266 113.0301 55.4924 30.5712 175.0465 75 E 4.8294 8.4387 125.6053 55.6554 33.4093 175.4041 76 E 4.7505 8.2237 123.3427 56.4298 28.9923 174.0309 77 E 4.7835 8.0547 130.6638 58.2197 30.5709 174.4253 78 R 3.6206 7.4019 112.7178 53.5065 31.5965 175.3460 79 E 4.3982 8.5470 117.1763 57.5647 31.6858 176.7352 80 R 3.8637 7.3777 118.2354 55.9388 30.0007 175.8413 81 R 3.6982 8.2121 125.4761 57.6386 30.7269 175.6632 82 M 2.8458 7.6028 115.0874 55.6095 29.8104 176.7935 83 D 4.1913 7.8957 121.0804 57.2401 42.1373 178.7668 84 F 4.6903 5.9696 114.8345 55.4733 35.8466 173.6328 85 V 4.0598 6.5071 119.6375 59.8177 35.6013 172.3913 86 P 3.9584 0.0000 0.0000 63.0258 27.7874 173.8164 87 E 4.6128 7.7120 116.9801 54.4185 31.7378 176.3073 88 K 4.4758 8.1028 121.2776 54.8971 35.1042 175.6471 89 S 4.4489 7.7864 114.9901 58.0167 66.2398 175.0436 90 A 5.2061 8.4208 121.5091 51.9494 18.8807 177.4822 91 L 4.7643 8.9115 120.1289 53.0067 46.5431 175.0918 92 E 4.6480 8.7809 123.2229 55.3004 31.2578 175.5287 93 V 4.3879 8.3963 119.7894 59.0171 34.3180 176.3583 94 E 4.6609 8.6971 127.8682 56.2169 29.6574 176.6943 95 E 4.7515 8.0038 116.7173 55.0317 33.7040 175.1529 96 I 4.8127 7.9129 115.5030 58.9547 39.6512 175.4769 97 R 4.0903 9.0330 132.6117 56.8802 30.3955 177.6367 98 V 4.1547 8.7874 120.0328 62.5166 33.4391 174.9491 99 D 4.6852 8.5361 116.2823 52.0922 41.3124 178.0167 100 K 3.9806 8.4956 119.8199 59.5492 32.7022 179.4290 101 E 4.0084 8.2434 118.9745 59.5680 29.6625 178.6458 102 T 3.8505 7.7862 112.7327 65.2323 67.4679 175.7914 103 M 4.0322 8.2118 120.3383 58.4321 31.7657 177.9249 104 E 3.8748 7.8100 118.0974 59.5162 29.6902 178.4842 105 M 3.9099 7.9579 116.9263 58.6499 32.4997 177.8376 106 L 4.1160 8.0533 118.9595 57.6989 41.2483 179.3071 107 A 3.9880 7.7947 120.1975 55.0557 18.0656 179.6423 108 A 4.1392 7.3360 118.0188 54.3935 19.2988 178.5080 109 L 4.1578 7.5156 120.1743 53.7619 40.1422 177.1221 110 G 3.9197 8.7560 108.7818 45.2175 0.0000 173.1618 111 M 4.0779 7.8663 118.7349 57.1354 32.8583 176.1105 112 A 4.8002 7.5232 119.0532 50.8508 19.0652 175.3448 113 D 4.5336 8.3555 122.3134 53.6027 42.1189 177.1088 114 L 4.3570 8.1031 123.5709 53.4634 43.1230 174.9049 115 P 4.3669 0.0000 0.0000 63.2745 32.0769 176.4462 116 G 3.9746 9.5966 107.3490 45.9997 0.0000 173.2839 117 V 4.5957 8.7427 122.3102 59.7535 35.2108 174.5427 118 E 4.5859 8.8020 122.3153 56.3435 30.4561 176.0887 119 R 4.6430 8.9220 123.3744 54.6662 33.8507 173.6917 120 Q 4.8362 8.5672 124.6922 54.3953 30.7665 174.5543 121 Q 4.2965 8.5741 126.6688 54.9474 29.6329 175.6875 122 E 3.8965 8.7995 123.8497 57.3389 29.8404 178.4649 123 V 3.3219 7.7244 113.0591 60.6246 30.6293 172.3140 124 S 4.4668 8.1646 112.8100 56.7501 62.9500 173.6804 125 A 4.8357 7.8701 133.2180 50.6432 19.9282 174.3550 126 P 4.9924 0.0000 0.0000 63.2512 33.7114 173.7375 127 T 4.2322 7.9800 112.3007 63.2113 72.1808 172.9859 128 Y 3.9182 9.0657 128.6787 60.3880 39.1139 176.0413 129 S 4.6392 7.8195 114.4739 57.5567 64.3699 173.4426 130 R 4.0032 8.1670 115.4995 56.0257 30.0839 174.3596 131 P 4.5106 0.0000 0.0000 61.8937 32.1122 174.0297 132 P 4.7903 0.0000 0.0000 62.4581 32.1043 175.1902 133 Y 4.6476 7.3105 117.5908 60.9022 37.9355 176.1550 134 G 4.0821 6.1268 113.4542 45.3914 0.0000 172.8900 135 G 4.1324 8.0312 122.6163 44.2770 0.0000 173.3895 136 P 4.1845 0.0000 0.0000 61.2330 32.0690 175.1412 137 R 5.0301 7.2072 121.5498 55.2711 29.8944 173.7254 138 R 4.7585 7.9574 118.7510 54.7334 34.4251 173.9012 139 D 4.8891 7.9764 119.2970 52.9830 40.1223 178.5152 140 R 4.5671 7.7313 115.9341 55.8249 33.3977 173.9024 141 V 3.9921 8.4048 122.9512 61.7942 31.6000 175.4850 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 8.29 4.51 0.00 2.05 1.33 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 G 8.49 4.10 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 0.00 0.00 0.00 *3 R 7.98 4.50 0.00 1.82 1.67 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.00 *4 V 8.16 4.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 *5 R 7.66 3.48 0.00 1.91 1.80 0.00 3.26 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 6 T 7.95 4.45 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 1.22 0.00 0.00 7 K 9.05 4.54 0.00 1.86 2.26 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.35 7.81 8 T 7.77 4.01 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 1.20 0.00 0.00 9 V 7.65 3.56 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 1.11 0.00 0.00 0.91 0.00 0.00 10 K 8.12 4.00 0.00 2.09 1.99 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.65 7.81 11 K 7.74 3.91 0.00 2.09 2.07 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.59 7.81 12 T 8.08 3.88 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 1.26 0.00 0.00 13 S 8.15 4.11 0.00 4.10 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 14 R 8.14 3.85 0.00 2.02 1.99 0.00 3.31 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 15 Q 8.08 4.59 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.98 0.00 0.00 0.00 0.00 0.00 2.69 2.32 0.00 16 V 7.88 3.79 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 1.03 0.00 0.00 0.92 0.00 0.00 17 I 7.53 3.61 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.49 0.00 0.00 18 E 7.62 3.68 0.00 2.11 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 2.26 2.34 0.00 19 K 8.77 4.19 0.00 2.05 1.84 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.52 7.81 20 Y 7.78 4.42 0.00 2.97 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 21 Y 8.38 3.88 0.00 3.14 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 22 S 8.45 4.69 0.00 4.12 4.36 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 23 R 8.12 4.67 0.00 1.76 1.82 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 24 M 8.04 4.30 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 25 T 7.07 4.76 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 1.18 0.00 0.00 26 L 8.64 4.11 0.00 1.62 1.57 0.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.46 4.04 0.00 2.87 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 28 F 8.79 4.55 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 29 H 8.53 4.30 0.00 3.18 3.33 0.00 5.68 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 T 8.73 3.89 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 1.28 0.00 0.00 31 N 8.44 4.35 0.00 2.94 3.26 0.00 0.00 7.25 5.60 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 32 K 8.51 3.92 0.00 1.82 1.67 0.00 0.70 0.00 0.00 0.97 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.40 7.81 33 K 8.47 4.01 0.00 1.76 1.82 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.55 7.81 34 V 7.70 3.67 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 35 L 7.54 4.05 0.00 1.68 1.78 1.00 1.30 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 36 E 8.11 4.09 0.00 2.08 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 2.32 2.55 0.00 37 E 7.95 4.01 0.00 1.95 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 2.27 2.27 0.00 38 V 7.72 4.55 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 0.85 0.00 0.00 0.86 0.00 0.00 39 S 10.05 3.66 0.00 4.18 3.72 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 40 I 8.78 3.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.35 0.91 0.00 0.00 41 L 7.60 4.42 0.00 1.60 1.61 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.65 0.00 2.14 2.05 0.00 3.75 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 1.88 1.91 0.00 43 S 8.25 4.44 0.00 3.87 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 44 K 8.66 3.94 0.00 1.77 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 R 7.69 4.41 0.00 1.78 1.97 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 46 L 7.87 4.16 0.00 1.68 1.71 0.91 0.91 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 47 R 8.20 3.95 0.00 2.02 2.33 0.00 2.74 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 48 N 8.07 4.36 0.00 2.94 3.04 0.00 0.00 7.15 7.63 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 49 K 8.17 4.07 0.00 1.82 1.92 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.64 7.81 50 V 7.86 3.69 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 1.11 0.00 0.00 1.00 0.00 0.00 51 A 8.21 4.16 1.54 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 0.00 0.00 52 G 8.35 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 0.00 0.00 0.00 53 F 8.88 4.16 0.00 3.27 3.33 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 54 T 8.03 3.73 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 1.36 0.00 0.00 55 T 7.76 3.75 4.10 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 1.25 0.00 0.00 56 H 8.04 4.03 0.00 2.98 3.20 0.00 5.63 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 57 L 7.30 3.84 0.00 1.77 1.62 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.10 3.97 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.86 0.00 59 R 7.72 4.03 0.00 1.89 1.96 0.00 3.10 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 60 R 7.48 4.15 0.00 1.95 1.95 0.00 3.07 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 61 I 7.58 4.02 1.86 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 1.63 0.34 0.88 0.00 0.00 62 Q 7.84 4.44 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.49 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 63 R 8.42 4.31 0.00 1.89 2.28 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 64 G 8.00 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 65 P 0.00 4.66 0.00 2.14 2.06 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 66 V 8.02 4.47 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 0.67 0.00 0.00 0.93 0.00 0.00 67 R 7.76 4.24 0.00 1.85 1.94 0.00 3.31 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 68 G 8.06 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 0.00 0.00 0.00 69 I 7.73 3.96 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 1.43 0.65 0.92 0.00 0.00 70 S 7.73 4.73 0.00 3.87 3.89 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 71 L 8.85 4.47 0.00 1.70 1.63 0.92 0.75 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 72 K 7.26 4.81 0.00 1.92 1.86 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 73 L 8.37 4.62 0.00 1.80 1.59 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.63 3.39 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 75 E 8.44 4.83 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 76 E 8.22 4.75 0.00 2.08 1.45 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 2.31 2.32 0.00 77 E 8.05 4.78 0.00 1.84 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 0.00 2.17 2.31 0.00 78 R 7.40 3.62 0.00 1.94 1.85 0.00 3.00 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 79 E 8.55 4.40 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 80 R 7.38 3.86 0.00 1.82 1.83 0.00 3.25 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 81 R 8.21 3.70 0.00 1.77 1.86 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 82 M 7.60 2.85 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 83 D 7.90 4.19 0.00 2.87 2.83 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 84 F 5.97 4.69 0.00 3.10 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 85 V 6.51 4.06 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 0.88 0.00 0.00 0.94 0.00 0.00 86 P 0.00 3.96 0.00 2.29 2.15 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 87 E 7.71 4.61 0.00 1.92 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 2.23 2.27 0.00 88 K 8.10 4.48 0.00 1.93 1.73 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.42 7.81 89 S 7.79 4.45 0.00 3.83 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 90 A 8.42 5.21 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 91 L 8.91 4.76 0.00 1.48 1.46 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.78 4.65 0.00 1.97 1.83 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 2.24 2.33 0.00 93 V 8.40 4.39 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 0.74 0.00 0.00 1.02 0.00 0.00 94 E 8.70 4.66 0.00 1.95 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 2.32 2.39 0.00 95 E 8.00 4.75 0.00 1.99 1.79 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 2.32 2.22 0.00 96 I 7.91 4.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.91 0.00 0.00 97 R 9.03 4.09 0.00 1.78 1.65 0.00 3.46 0.00 0.00 3.27 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 98 V 8.79 4.15 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 0.68 0.00 0.00 0.87 0.00 0.00 99 D 8.54 4.69 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.50 3.98 0.00 1.80 1.89 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.36 7.81 101 E 8.24 4.01 0.00 2.03 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 2.37 2.36 0.00 102 T 7.79 3.85 4.36 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 1.31 0.00 0.00 103 M 8.21 4.03 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 104 E 7.81 3.87 0.00 2.13 2.06 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 2.30 2.31 0.00 105 M 7.96 3.91 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 106 L 8.05 4.12 0.00 1.85 1.70 0.92 0.59 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 0.00 107 A 7.79 3.99 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 0.00 108 A 7.34 4.14 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 0.00 109 L 7.52 4.16 0.00 1.93 1.64 0.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.76 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 M 7.87 4.08 0.00 1.82 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 112 A 7.52 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 0.00 113 D 8.36 4.53 0.00 2.81 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 0.00 114 L 8.10 4.36 0.00 1.60 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.37 0.00 2.22 2.04 0.00 3.78 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 1.96 0.00 116 G 9.60 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 0.00 117 V 8.74 4.60 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 0.78 0.00 0.00 0.94 0.00 0.00 118 E 8.80 4.59 0.00 1.88 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 2.31 2.31 0.00 119 R 8.92 4.64 0.00 1.86 1.72 0.00 3.25 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 120 Q 8.57 4.84 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 121 Q 8.57 4.30 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 122 E 8.80 3.90 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 123 V 7.72 3.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.92 0.00 0.00 124 S 8.16 4.47 0.00 3.76 3.72 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 0.00 125 A 7.87 4.84 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 0.00 126 P 0.00 4.99 0.00 2.18 2.00 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 127 T 7.98 4.23 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 1.26 0.00 0.00 128 Y 9.07 3.92 0.00 2.94 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 0.00 129 S 7.82 4.64 0.00 3.93 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 0.00 130 R 8.17 4.00 0.00 1.70 2.20 0.00 2.87 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 131 P 0.00 4.51 0.00 2.21 2.06 0.00 3.69 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 2.01 1.95 0.00 132 P 0.00 4.79 0.00 2.16 2.13 0.00 3.97 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 2.12 1.94 0.00 133 Y 7.31 4.65 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 6.13 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.03 4.13 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 0.00 0.00 0.00 136 P 0.00 4.18 0.00 2.07 1.64 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 137 R 7.21 5.03 0.00 2.00 1.97 0.00 2.96 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 138 R 7.96 4.76 0.00 1.81 1.86 0.00 3.39 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 139 D 7.98 4.89 0.00 2.62 1.85 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 0.00 140 R 7.73 4.57 0.00 1.86 1.77 0.00 3.28 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.00 141 V 8.40 3.99 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 0.77 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.