NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8503 8.3549 109.7531 44.6389 0.0000 173.3093 4 F 4.5567 8.0591 119.0074 52.8316 41.0918 173.0821 5 P 4.4213 0.0000 0.0000 64.7560 32.6667 176.3394 6 V 4.5871 7.6976 118.3201 60.8667 34.3515 174.6476 7 R 5.3149 8.5367 126.1683 55.0223 33.3822 174.1125 8 V 4.6726 8.8568 116.8879 59.8628 36.5749 174.1158 9 R 4.6514 8.5301 122.4579 55.0522 31.6514 175.5697 10 V 4.2404 7.8814 124.1251 61.0876 34.4564 174.2960 11 D 4.6137 8.3409 126.9719 52.4157 42.2588 176.2590 12 V 3.9034 8.1564 124.3047 62.6283 32.3079 175.4904 13 R 4.6360 8.9550 126.5307 54.4037 32.1143 177.3016 14 F 4.1549 8.8006 122.3525 61.3802 39.6020 177.4230 15 R 3.9151 8.1520 119.3431 59.2378 30.0809 176.8726 16 D 4.4632 8.0459 116.8796 55.6998 41.1657 176.0878 17 L 4.6994 7.3594 119.4708 53.7394 42.6786 176.4480 18 D 4.5838 8.7176 122.2567 52.8408 41.7597 175.7641 19 P 4.1160 0.0000 0.0000 66.0324 31.2586 177.7589 20 L 4.0826 7.6192 114.8502 55.5467 41.6816 177.3630 21 G 3.8896 8.6323 107.8470 45.5239 0.0000 172.8167 22 H 5.2098 7.4276 113.3089 52.7565 32.3057 172.7584 23 V 4.0279 8.5639 120.6134 63.2045 31.7547 175.4743 24 N 4.9109 9.4217 126.9539 52.9594 39.2789 175.3963 25 N 4.0930 9.0177 122.1406 55.9946 37.6854 177.1043 26 A 3.8658 8.7672 122.2050 54.7453 18.9110 179.5430 27 V 3.4773 7.7802 115.2091 66.1401 31.1851 178.0175 28 F 3.5023 7.7835 117.1517 60.6907 38.5682 177.7168 29 L 4.0414 7.8950 117.2868 57.7073 41.7122 179.3831 30 S 4.4210 8.1991 115.4441 61.2890 62.8349 176.1672 31 Y 4.4723 7.3752 116.1439 59.0194 37.2017 177.2957 *33 E 4.3042 8.0899 123.3311 56.1831 31.7937 177.4760 34 L 3.9057 7.9286 119.2858 58.1927 42.1019 178.8947 35 A 3.9510 7.5851 119.2293 55.1467 18.2799 179.5156 36 R 3.5318 7.8583 116.6998 59.5630 30.1578 178.5955 37 I 3.7584 8.1370 119.8896 64.5345 36.8854 178.6842 38 R 4.2365 7.7106 119.0704 58.3457 30.0313 178.2996 39 Y 4.1349 7.8218 119.7652 60.7755 38.7961 177.5910 40 F 4.8214 8.7060 119.1832 60.9675 38.5237 177.5840 41 Q 4.2711 8.6162 117.3481 58.1451 28.2514 177.8945 42 R 4.5382 7.9626 117.3061 55.9971 30.8563 176.5255 43 I 4.5903 7.6699 109.5966 60.2374 39.4011 175.1146 44 S 4.7512 8.5329 114.5708 55.9492 65.8070 171.3605 45 P 4.6401 0.0000 0.0000 62.4271 33.1403 174.8149 46 D 4.4520 8.6525 116.0454 55.0438 37.6622 175.1175 47 W 4.4089 7.7607 117.6885 59.2094 29.0789 179.0865 48 L 3.6522 6.8460 120.0179 57.4123 41.6891 176.7508 49 E 4.3979 7.8286 116.8704 55.9141 29.7601 175.8819 50 E 3.8675 9.3259 117.1641 57.5863 27.5757 175.6540 51 G 4.2264 9.1787 103.5086 44.8299 0.0000 174.7446 52 H 3.7131 7.9671 113.8028 55.6717 26.4066 174.4080 53 F 5.3042 7.7226 117.3067 55.8282 41.2895 175.4010 54 V 4.6902 8.3786 115.6503 59.4586 35.6858 175.0391 55 V 4.1438 8.5549 123.4800 62.9605 31.3792 175.3224 56 A 4.4960 9.1069 130.4652 53.9948 20.4238 176.1215 57 R 4.3314 7.4035 113.1430 55.7310 33.8884 173.0871 *59 E 4.3183 8.6607 117.7217 56.4598 30.9591 175.2077 60 V 4.5941 8.2991 124.3674 60.9370 34.2654 174.1235 61 D 4.7382 8.7203 128.0476 52.8748 42.9413 175.0108 62 Y 4.3091 8.5173 121.9807 56.9033 38.0056 175.2424 63 L 4.3980 8.9299 126.0572 56.3238 42.8872 177.8998 64 R 4.6704 7.7296 116.4761 53.6335 33.2263 172.4531 65 P 4.7311 0.0000 0.0000 63.0032 32.5772 175.2491 66 I 4.7446 8.5414 121.4452 59.7490 40.0024 174.6917 67 L 5.0989 8.9278 125.6496 52.1729 45.4227 175.8491 68 L 4.1726 8.4008 122.5297 56.8797 42.3812 177.4716 69 G 4.0011 8.8478 113.8665 45.3752 0.0000 173.5476 70 D 4.4684 7.5647 118.9735 54.3749 41.5199 175.4910 71 E 4.2291 9.3977 123.8713 55.2157 30.8703 174.8707 72 V 4.8216 7.8544 127.1820 61.0522 34.2466 174.2084 73 F 5.3571 8.7764 125.2872 55.6487 43.3927 174.0878 74 V 4.7285 9.0276 121.2818 61.2243 34.4127 174.5769 75 G 4.3964 8.8811 115.3523 44.4575 0.0000 172.3374 76 V 5.3968 8.7321 120.2118 60.2400 35.1543 174.1294 77 R 4.7539 8.3758 117.5368 55.4800 32.5538 174.5494 78 T 4.2073 8.3900 118.2531 63.3419 69.1430 175.1998 79 V 4.1643 8.4972 119.6290 61.4691 33.0791 176.1185 80 G 4.1464 7.2971 106.3907 44.6036 0.0000 172.1507 81 L 5.0507 8.5167 120.8124 52.6803 45.5461 176.6388 82 G 4.1776 8.5969 112.7156 46.1208 0.0000 174.7466 83 R 4.3090 8.7277 120.0481 57.8316 31.0516 177.6504 84 S 5.1208 8.0025 109.7600 58.0034 65.1611 173.0467 85 S 5.4435 8.0476 115.5858 57.0401 66.3133 172.5820 86 L 5.1133 8.9531 121.5195 53.7741 45.7270 175.2001 87 R 5.4504 8.7601 123.9686 53.6228 34.0881 174.5919 *89 E 4.6223 8.3911 118.3077 56.8063 31.3666 174.7891 90 H 5.4320 9.6259 121.0158 53.8557 32.4584 172.5031 91 L 5.0450 8.7700 124.3918 53.1748 45.2187 174.9377 92 V 4.9288 8.9751 126.7896 61.3005 34.0209 174.2753 93 T 5.1923 9.0239 117.7792 59.8047 72.2840 172.8143 94 A 4.8974 8.9328 125.3370 50.4952 21.9378 176.0988 95 N 4.2881 10.2210 122.1629 54.5096 36.7697 175.7624 96 G 4.1070 8.6796 107.1747 45.0705 0.0000 173.9584 97 E 4.5877 7.6652 117.1993 54.1880 31.4217 175.6732 98 S 4.3980 8.6525 117.1368 59.2740 63.3423 173.7168 99 A 4.7278 9.3730 127.5763 53.3117 21.1410 176.3518 100 A 4.9391 7.6618 114.3340 50.8692 22.9456 175.5778 101 K 4.9659 8.8383 119.5986 54.4843 36.0370 175.6306 102 G 4.2694 9.4391 111.9932 44.1364 0.0000 171.1395 103 L 4.9866 9.0302 127.6563 53.2116 43.7733 175.6996 104 G 4.3340 8.7479 112.6384 44.3318 0.0000 171.0470 105 V 4.9142 8.7241 121.2902 60.8746 33.9403 174.3348 106 L 5.3605 9.2394 128.0773 52.9803 44.8965 175.4594 107 V 4.9859 8.7794 122.7786 60.7810 34.4273 174.2928 108 W 4.5036 9.6491 135.0000 57.1670 31.6030 174.7460 109 L 5.2018 7.6405 126.8908 52.9122 44.4389 176.0411 110 E 4.2877 8.6486 121.1603 55.5323 32.6449 176.2805 111 G 3.6045 9.6235 112.7522 46.6494 0.0000 174.3075 112 G 3.8891 8.4303 105.4205 45.1964 0.0000 174.2921 113 R 4.7076 7.5698 118.0473 53.0005 33.5678 173.3559 114 P 4.7113 0.0000 0.0000 63.2717 31.8578 175.6417 115 A 4.8801 8.6605 122.8330 49.3635 22.8113 174.0542 116 P 4.3427 0.0000 0.0000 62.9865 31.9752 176.0813 117 L 3.3800 8.9103 127.4581 54.3742 42.7013 175.1069 118 P 4.0280 0.0000 0.0000 62.8000 32.2620 176.5878 119 E 3.8170 8.9982 122.4021 59.7287 29.4830 179.3256 120 A 3.9766 7.8015 119.8593 55.2643 18.4915 179.5506 121 I 3.7112 7.4461 117.8375 64.4049 37.2340 178.6751 122 R 3.9449 7.8047 118.6673 59.2567 29.6485 178.9370 123 E 3.9744 7.7677 116.8604 59.5402 29.5417 179.3808 124 R 4.0648 7.6624 116.5193 59.0395 30.1703 178.7438 125 I 3.8704 7.6696 119.0467 63.5459 37.6450 177.0791 126 R 3.9790 7.2470 114.7229 56.9605 30.1655 176.3594 127 A 3.9562 8.5749 121.5577 52.5635 18.2378 178.0589 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.35 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 0.00 0.00 0.00 4 F 8.06 4.56 0.00 3.04 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 5 P 0.00 4.42 0.00 2.24 2.24 0.00 3.95 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.20 0.00 6 V 7.70 4.59 2.32 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 1.00 0.00 0.00 1.00 0.00 0.00 7 R 8.54 5.31 0.00 1.79 1.69 0.00 2.76 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 8 V 8.86 4.67 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 0.65 0.00 0.00 0.91 0.00 0.00 9 R 8.53 4.65 0.00 1.85 1.72 0.00 3.05 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.00 10 V 7.88 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.62 0.00 0.00 11 D 8.34 4.61 0.00 2.61 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 12 V 8.16 3.90 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 0.82 0.00 0.00 0.86 0.00 0.00 13 R 8.95 4.64 0.00 2.09 1.87 0.00 3.22 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 14 F 8.80 4.15 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.15 3.92 0.00 1.86 1.99 0.00 3.39 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 16 D 8.05 4.46 0.00 2.90 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 17 L 7.36 4.70 0.00 1.24 1.37 0.81 0.93 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 18 D 8.72 4.58 0.00 2.53 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.12 0.00 1.98 2.10 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 20 L 7.62 4.08 0.00 1.52 1.70 0.95 0.95 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 21 G 8.63 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 0.00 0.00 0.00 22 H 7.43 5.21 0.00 3.19 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.56 4.03 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 0.09 0.00 0.00 0.91 0.00 0.00 24 N 9.42 4.91 0.00 2.85 2.68 0.00 0.00 6.81 6.31 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 25 N 9.02 4.09 0.00 2.27 2.63 0.00 0.00 6.06 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.77 3.87 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 27 V 7.78 3.48 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.84 0.00 0.00 28 F 7.78 3.50 0.00 3.27 3.09 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 0.00 0.00 0.00 29 L 7.89 4.04 0.00 1.87 1.75 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.20 4.42 0.00 4.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.38 4.47 0.00 3.17 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 *33 E 8.09 4.30 0.00 2.13 2.23 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 2.32 2.35 0.00 34 L 7.93 3.91 0.00 1.82 1.80 0.86 1.21 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 35 A 7.59 3.95 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 36 R 7.86 3.53 0.00 1.73 1.88 0.00 3.00 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 37 I 8.14 3.76 1.99 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 1.60 0.79 0.97 0.00 0.00 38 R 7.71 4.24 0.00 1.94 1.97 0.00 3.09 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 39 Y 7.82 4.13 0.00 3.16 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 40 F 8.71 4.82 0.00 3.45 3.26 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 41 Q 8.62 4.27 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 42 R 7.96 4.54 0.00 1.73 1.86 0.00 3.06 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 43 I 7.67 4.59 1.98 0.00 0.00 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 1.62 1.08 0.79 0.00 0.00 44 S 8.53 4.75 0.00 4.06 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 45 P 0.00 4.64 0.00 2.34 2.26 0.00 4.11 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 46 D 8.65 4.45 0.00 2.83 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 47 W 7.76 4.41 0.00 3.66 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 48 L 6.85 3.65 0.00 0.48 1.28 0.54 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.83 4.40 0.00 1.96 1.71 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 2.21 2.14 0.00 50 E 9.33 3.87 0.00 2.30 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 0.00 2.45 2.38 0.00 51 G 9.18 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 0.00 0.00 0.00 0.00 52 H 7.97 3.71 0.00 2.01 2.07 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.72 5.30 0.00 3.07 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 54 V 8.38 4.69 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 0.69 0.00 0.00 1.02 0.00 0.00 55 V 8.55 4.14 2.14 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 0.79 0.00 0.00 1.02 0.00 0.00 56 A 9.11 4.50 1.31 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 0.00 0.00 57 R 7.40 4.33 0.00 1.88 1.79 0.00 3.22 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 *59 E 8.66 4.32 0.00 2.08 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 0.00 2.29 2.31 0.00 60 V 8.30 4.59 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 -0.34 0.00 0.00 0.77 0.00 0.00 61 D 8.72 4.74 0.00 2.50 2.48 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 62 Y 8.52 4.31 0.00 2.65 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 63 L 8.93 4.40 0.00 1.66 1.72 0.92 0.69 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 64 R 7.73 4.67 0.00 1.72 1.93 0.00 3.33 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 65 P 0.00 4.73 0.00 2.16 2.01 0.00 3.81 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 2.02 2.01 0.00 66 I 8.54 4.74 1.81 0.00 0.00 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 1.31 0.76 0.92 0.00 0.00 67 L 8.93 5.10 0.00 1.58 1.55 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.40 4.17 0.00 1.63 1.62 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.85 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 70 D 7.56 4.47 0.00 2.77 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 71 E 9.40 4.23 0.00 1.96 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 2.09 2.04 0.00 72 V 7.85 4.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.84 0.00 0.00 73 F 8.78 5.36 0.00 3.05 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 74 V 9.03 4.73 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 1.04 0.00 0.00 0.95 0.00 0.00 75 G 8.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.73 5.40 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 0.75 0.00 0.00 0.56 0.00 0.00 77 R 8.38 4.75 0.00 1.68 1.73 0.00 2.57 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 78 T 8.39 4.21 4.31 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 1.28 0.00 0.00 79 V 8.50 4.16 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 0.62 0.00 0.00 0.95 0.00 0.00 80 G 7.30 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 81 L 8.52 5.05 0.00 1.61 1.57 0.94 0.90 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 82 G 8.60 4.18 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 0.00 0.00 0.00 83 R 8.73 4.31 0.00 1.91 1.99 0.00 3.09 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 84 S 8.00 5.12 0.00 4.10 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 85 S 8.05 5.44 0.00 3.99 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 86 L 8.95 5.11 0.00 1.79 1.65 0.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.76 5.45 0.00 1.76 1.80 0.00 3.22 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 *89 E 8.39 4.62 0.00 1.96 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 2.32 2.34 0.00 90 H 9.63 5.43 0.00 2.97 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.77 5.04 0.00 1.53 0.67 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.98 4.93 2.26 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 1.07 0.00 0.00 1.08 0.00 0.00 93 T 9.02 5.19 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 1.19 0.00 0.00 94 A 8.93 4.90 1.25 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 95 N 10.22 4.29 0.00 2.84 2.92 0.00 0.00 7.21 7.52 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 96 G 8.68 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 0.00 0.00 0.00 0.00 97 E 7.67 4.59 0.00 2.22 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 2.35 2.33 0.00 98 S 8.65 4.40 0.00 3.90 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 99 A 9.37 4.73 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 0.00 100 A 7.66 4.94 1.11 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 0.00 0.00 101 K 8.84 4.97 0.00 1.64 1.67 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 102 G 9.44 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.03 4.99 0.00 1.60 1.54 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.75 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 0.00 0.00 0.00 0.00 105 V 8.72 4.91 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 1.08 0.00 0.00 0.95 0.00 0.00 106 L 9.24 5.36 0.00 1.59 1.63 0.96 0.88 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 0.00 107 V 8.78 4.99 2.19 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 1.04 0.00 0.00 1.03 0.00 0.00 108 W 9.65 4.50 0.00 3.33 3.02 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 0.00 109 L 7.64 5.20 0.00 1.21 1.34 0.85 0.99 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 0.00 110 E 8.65 4.29 0.00 1.96 1.78 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 2.22 2.19 0.00 111 G 9.62 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.43 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 0.00 0.00 0.00 113 R 7.57 4.71 0.00 1.85 1.78 0.00 3.13 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 114 P 0.00 4.71 0.00 2.08 2.05 0.00 3.65 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 2.06 2.12 0.00 115 A 8.66 4.88 1.31 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 0.00 0.00 116 P 0.00 4.34 0.00 1.94 2.03 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 117 L 8.91 3.38 0.00 1.65 1.56 0.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.03 0.00 1.63 1.70 0.00 2.20 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.66 0.00 119 E 9.00 3.82 0.00 2.01 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 0.00 2.35 2.42 0.00 120 A 7.80 3.98 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 0.00 121 I 7.45 3.71 1.70 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 1.03 0.00 0.00 122 R 7.80 3.94 0.00 2.01 1.96 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 123 E 7.77 3.97 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 2.41 2.52 0.00 124 R 7.66 4.06 0.00 1.95 1.98 0.00 3.37 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 125 I 7.67 3.87 2.09 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.85 1.04 0.00 0.00 126 R 7.25 3.98 0.00 1.94 1.94 0.00 3.06 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 127 A 8.57 3.96 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 * Residues marked with a * may have inaccurate shift predictions.