NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5018 8.0333 117.3712 62.9642 70.5207 172.9190 3 L 3.3972 8.6751 126.9017 54.4490 42.0717 174.4880 4 H 4.7431 9.1183 124.9987 53.9581 32.2034 175.3779 5 K 3.9044 8.8485 126.0477 59.7556 31.9787 177.7489 6 E 4.3303 8.2364 115.7727 57.6820 29.7122 176.9883 7 R 4.8509 7.9349 117.2036 53.9421 29.6822 175.9772 8 R 4.1887 8.0102 118.7124 56.4444 30.9010 176.2724 9 I 3.0963 8.3088 125.1782 63.8370 38.1223 177.9179 10 G 3.5001 7.8145 105.9688 47.8483 0.0000 175.5808 11 R 3.8891 7.7755 121.0123 59.0651 30.1846 178.4578 12 L 3.8991 7.9462 119.2157 57.6671 41.3098 179.6551 13 S 4.0407 7.8402 114.3342 61.1734 62.8584 176.8406 14 V 3.6838 7.6939 121.5909 65.7201 31.1405 177.8996 15 L 3.9275 7.6743 117.5517 57.8475 41.5350 179.0209 16 L 4.0396 7.6520 119.0847 57.9968 42.0698 178.5004 17 L 4.1166 7.4329 119.1665 57.8411 42.1904 178.0762 18 L 4.1309 8.0280 116.1110 54.6900 41.9210 175.9727 19 N 4.9546 7.6466 116.6431 51.5328 41.0298 173.8750 20 E 4.7166 8.3359 112.9169 55.8346 32.2247 175.7021 21 A 4.5695 7.5971 130.9771 52.8079 17.0883 179.1780 *26 Q 4.3838 8.7192 119.2066 57.5068 30.5554 177.8157 27 V 3.6846 7.5961 116.9223 65.6840 31.7285 177.9353 28 E 4.0260 8.3328 120.3644 60.2742 29.1574 179.7678 29 E 4.0599 8.0781 116.2284 61.0864 30.0198 180.5016 30 L 4.5664 8.0655 120.0770 57.8665 41.5614 179.5025 31 E 4.5795 8.7368 121.4647 59.4614 29.4028 179.9490 32 R 4.1128 7.9401 120.1328 60.7987 29.8371 181.0747 33 D 5.2974 8.3297 124.6042 54.4919 39.2526 178.4857 34 G 3.8037 8.0230 116.6627 45.7693 0.0000 172.6558 35 W 4.8094 7.5474 121.0028 56.5695 30.7704 175.2256 36 K 4.6651 9.2190 124.2191 55.2123 33.0941 175.7137 37 V 5.0190 8.4943 124.8617 61.2325 34.5172 174.2617 38 C 4.8129 9.0489 126.4050 57.8506 34.8508 172.5351 39 L 4.9806 8.2285 125.3233 53.2420 44.5441 175.5311 40 G 3.4460 7.5121 106.9851 45.4847 0.0000 172.1695 41 K 5.3883 8.4276 118.8492 54.5268 35.9753 176.6897 42 V 4.4745 9.4989 123.1148 60.4974 35.0688 173.3385 43 G 4.4370 8.7072 112.2016 44.4649 0.0000 171.7963 44 S 4.7859 8.8954 119.5139 57.4002 66.6949 174.1819 45 M 4.5541 8.6260 118.6686 54.8724 31.3025 174.5957 46 D 5.1312 8.3307 120.4919 52.3738 44.2003 176.7434 47 A 3.9844 8.5783 126.5188 55.3197 18.4499 179.2632 48 H 4.2458 8.1301 113.3959 58.7436 28.6865 177.9481 49 K 3.9083 7.5728 120.8275 59.0051 31.9298 179.3609 50 V 3.4792 7.4047 118.2297 65.9758 31.4542 178.1943 51 I 3.5508 7.7435 119.3304 64.3396 36.9347 178.3402 52 A 4.0274 8.3825 121.7346 54.9042 18.1537 179.6483 53 A 3.9447 8.0248 119.4449 55.4758 18.5931 180.0164 54 I 3.1652 7.3075 118.3230 63.9610 37.1399 178.4316 55 E 3.9118 8.1161 120.3144 59.6202 29.4800 178.9474 56 T 3.8966 8.0589 115.5946 66.6910 68.5319 176.5664 57 A 3.9474 8.1209 122.6364 55.2638 18.5518 179.7224 58 S 4.3074 8.3168 112.8777 60.6610 62.6900 176.2731 59 K 4.3525 7.7484 122.1261 58.5077 32.6738 179.2509 60 K 4.1999 8.7633 124.0607 59.5659 31.9514 180.4687 61 S 4.9596 7.9959 113.7243 57.7320 65.0053 174.0714 62 G 4.1925 8.2617 108.6889 46.0591 0.0000 175.9012 63 V 3.7582 8.1653 120.9319 64.8820 31.8598 175.6260 64 I 4.8391 7.2458 110.0851 58.3933 40.3561 175.0627 65 Q 4.2058 9.2149 120.6660 56.3123 28.9945 177.0944 66 S 4.3968 8.7032 118.9330 60.5140 63.7220 175.1965 67 E 4.4253 8.0911 115.5074 55.4906 30.8799 180.7323 68 G 4.1248 8.8529 107.3122 45.6879 0.0000 172.7825 69 Y 4.6727 8.2303 117.2393 58.5157 39.9254 177.1805 70 R 3.7020 7.9940 119.4216 59.8068 30.2275 178.1983 71 E 4.0267 8.0388 117.3085 59.2158 29.5981 179.2802 72 S 4.2121 7.9421 114.8717 61.3778 63.0618 175.9572 73 H 3.9281 8.1179 121.4936 58.9626 29.5776 177.1853 74 A 3.9124 7.8889 122.7122 54.9208 18.1607 179.4393 75 L 3.8865 7.8458 118.6870 58.2319 42.1487 178.3903 76 Y 3.9801 8.0354 119.5118 61.2477 38.7529 178.0665 77 H 4.1099 8.1560 116.3310 58.6904 28.9087 177.7305 78 A 4.0511 7.9912 122.6086 55.2641 18.1351 179.9074 79 T 3.7722 7.9286 114.5112 66.8614 68.2924 176.9507 80 M 3.8302 7.5962 119.6836 58.4977 32.3702 178.4736 81 E 4.1963 8.1991 118.2816 59.0798 29.6170 179.2187 82 A 4.0615 7.7508 120.6778 54.9193 18.4808 179.3230 83 L 4.0274 8.0649 117.0629 57.3938 41.5111 179.3203 84 H 4.2292 7.8182 116.2877 58.8855 28.4706 177.9650 85 G 3.7181 8.0132 106.8299 46.8509 0.0000 175.3394 86 V 4.3984 7.8354 120.9571 64.8924 31.7076 177.2925 87 T 4.1751 8.2849 109.2510 61.6084 70.4862 173.6192 88 R 3.9931 8.9836 120.0938 54.4504 26.9825 174.6190 89 G 4.2491 8.0309 112.8501 45.1963 0.0000 171.6010 90 E 4.4923 7.7843 122.0118 53.9080 31.5002 177.2991 91 M 4.4330 8.2949 127.5403 54.2272 31.0312 175.5934 92 L 4.8660 7.2977 118.1471 53.0106 46.1628 175.0231 93 L 4.5313 7.8638 117.9534 55.6804 45.1813 178.9522 94 G 3.6658 8.0696 111.0439 48.9189 0.0000 175.7517 95 S 4.2782 8.0545 112.8998 59.9322 63.3450 174.6395 96 L 4.5136 7.6537 119.7246 53.7408 42.1492 175.8886 97 L 3.6471 7.7372 118.4438 55.7109 40.6084 174.0780 98 R 4.9344 8.2832 112.8941 55.0206 33.2355 175.3396 99 T 4.8128 9.4652 115.1621 60.4887 71.3018 172.7863 100 V 4.7837 8.7795 119.8156 59.7256 34.9871 175.2195 101 G 4.3719 9.0941 111.6345 44.1321 0.0000 170.9182 102 L 5.2060 9.2376 126.4799 53.0667 44.8580 175.2838 103 R 5.2176 9.4359 123.4918 54.8569 32.9783 174.7408 104 F 5.6405 9.1696 118.1133 55.3664 42.0767 173.0282 105 A 5.2331 9.0132 121.2834 50.2482 22.7059 175.0871 106 V 4.9078 9.2430 121.7027 60.9688 34.6157 174.0191 107 L 5.4020 8.7427 129.5338 53.2545 45.3103 174.9060 108 R 5.3380 10.1447 125.4440 53.6108 33.7573 175.0049 109 G 4.2009 8.3408 111.4621 46.4751 0.0000 170.0360 110 N 5.6250 8.2993 119.5826 51.1085 39.1062 173.4648 111 P 4.8535 0.0000 0.0000 62.9705 32.2821 175.3166 112 Y 5.4441 7.9914 118.7544 56.1531 39.9614 176.3512 113 E 4.1564 8.8768 118.2672 58.9666 30.2010 179.0662 114 S 4.3339 8.0187 115.0785 57.8978 62.8626 173.8827 115 E 4.2449 8.8243 127.0266 57.2030 28.9308 176.6936 116 A 4.3560 7.7789 121.0912 54.3995 19.2280 179.3887 117 E 4.0479 7.9078 115.1543 57.1865 29.9294 178.4346 118 G 3.9521 7.5535 105.1265 44.5078 0.0000 172.0236 119 D 4.9542 8.3608 117.6832 54.1803 42.2478 175.8983 120 W 5.3285 9.8609 121.4761 54.9399 33.8110 174.0509 121 I 5.3345 9.3951 121.0296 59.3360 41.3383 173.9908 122 A 5.1514 9.0329 129.1610 50.2779 22.1966 174.9933 123 V 4.2921 9.0000 124.0913 61.7471 33.2383 174.5179 124 S 5.0571 8.8149 124.9579 56.7233 65.4451 173.4819 125 L 5.2356 8.6241 124.0147 53.1277 44.9276 175.0097 126 Y 5.2685 9.6599 124.2231 54.2245 42.7873 175.7006 127 G 4.0541 6.3084 112.9229 46.3469 0.0000 173.2393 128 T 5.0029 8.2680 114.6966 59.5344 72.4293 172.2449 129 I 4.8426 8.4786 123.9184 59.5694 41.3929 174.7119 130 G 4.3224 8.4996 114.1106 45.7403 0.0000 172.3009 131 A 4.4828 8.3770 121.7485 51.3501 18.4556 176.5627 132 P 4.2689 0.0000 0.0000 65.6710 30.7735 177.8715 133 I 3.9988 7.4930 117.9217 60.8878 37.8867 177.1474 134 K 4.0316 8.7280 123.7214 59.6410 32.1562 179.1961 135 G 3.6559 8.0196 106.0362 48.0369 0.0000 173.6444 136 L 4.3762 7.2376 118.4602 53.1712 40.2428 174.8543 137 E 5.1406 7.8320 118.3596 55.3633 32.3402 174.2151 138 H 5.1269 8.3678 116.3531 53.2862 32.3172 172.7575 139 E 4.5395 8.8432 118.4304 57.3387 30.1462 176.4349 140 T 4.8765 8.5423 116.3906 60.8363 71.5195 172.3465 141 F 5.2925 8.7061 126.8293 57.2540 43.2512 173.0582 142 G 4.8449 8.4084 112.3828 45.3792 0.0000 171.7638 143 V 4.8870 8.5214 124.2045 60.8536 34.3629 174.6047 144 G 4.5999 8.9890 114.8790 43.5240 0.0000 171.5714 145 I 5.3343 8.5027 125.1068 59.5709 40.1288 174.4541 146 N 5.2885 9.3314 124.6247 51.9300 42.8447 173.1886 147 H 3.3352 8.0048 119.4671 55.1225 29.6108 174.9599 148 I 4.1037 7.9323 120.2601 61.3259 37.8431 174.6227 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 T 8.03 4.50 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 1.19 0.00 0.00 3 L 8.68 3.40 0.00 1.56 1.45 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.12 4.74 0.00 3.13 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.85 3.90 0.00 1.83 1.90 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.41 7.81 6 E 8.24 4.33 0.00 1.85 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 0.00 2.30 2.36 0.00 7 R 7.93 4.85 0.00 2.39 2.24 0.00 2.92 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 8 R 8.01 4.19 0.00 1.81 1.84 0.00 3.08 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 9 I 8.31 3.10 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.90 0.00 0.00 10 G 7.81 3.50 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 0.00 0.00 0.00 11 R 7.78 3.89 0.00 1.83 1.99 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 L 7.95 3.90 0.00 1.31 1.33 0.61 0.66 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 13 S 7.84 4.04 0.00 3.99 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 14 V 7.69 3.68 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 1.34 0.00 0.00 1.10 0.00 0.00 15 L 7.67 3.93 0.00 1.77 1.67 0.88 0.72 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 16 L 7.65 4.04 0.00 1.63 1.85 0.89 0.95 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 17 L 7.43 4.12 0.00 1.74 1.94 0.96 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.03 4.13 0.00 1.54 1.51 0.79 0.25 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 19 N 7.65 4.95 0.00 2.75 2.72 0.00 0.00 6.76 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 20 E 8.34 4.72 0.00 1.98 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 0.00 2.16 2.33 0.00 21 A 7.60 4.57 0.94 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 0.00 0.00 *26 Q 8.72 4.38 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.64 6.86 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 7.60 3.68 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 0.98 0.00 0.00 0.92 0.00 0.00 28 E 8.33 4.03 0.00 2.06 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 0.00 2.41 2.39 0.00 29 E 8.08 4.06 0.00 2.06 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 2.23 1.97 0.00 30 L 8.07 4.57 0.00 1.96 1.89 0.87 0.77 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 31 E 8.74 4.58 0.00 1.99 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 2.41 2.33 0.00 32 R 7.94 4.11 0.00 1.93 1.85 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 33 D 8.33 5.30 0.00 2.91 1.89 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 34 G 8.02 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.55 4.81 0.00 3.44 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 9.22 4.67 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.57 7.81 37 V 8.49 5.02 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 0.78 0.00 0.00 1.08 0.00 0.00 38 C 9.05 4.81 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 39 L 8.23 4.98 0.00 1.41 1.35 0.87 0.86 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 40 G 7.51 3.45 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 0.00 0.00 0.00 0.00 41 K 8.43 5.39 0.00 1.58 1.69 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.34 7.81 42 V 9.50 4.47 2.22 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 0.79 0.00 0.00 0.93 0.00 0.00 43 G 8.71 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 4.79 0.00 3.86 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.63 4.55 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 46 D 8.33 5.13 0.00 2.46 2.34 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 47 A 8.58 3.98 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 48 H 8.13 4.25 0.00 3.44 3.59 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.57 3.91 0.00 1.85 1.82 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.16 7.81 50 V 7.40 3.48 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 0.88 0.00 0.00 0.94 0.00 0.00 51 I 7.74 3.55 2.01 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 1.27 0.38 0.95 0.00 0.00 52 A 8.38 4.03 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 53 A 8.02 3.94 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 54 I 7.31 3.17 1.56 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.01 0.73 0.00 0.00 55 E 8.12 3.91 0.00 2.18 1.95 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 2.33 2.39 0.00 56 T 8.06 3.90 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 1.25 0.00 0.00 57 A 8.12 3.95 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 0.00 0.00 0.00 0.00 0.00 58 S 8.32 4.31 0.00 3.99 3.98 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 59 K 7.75 4.35 0.00 2.01 1.88 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.55 7.81 60 K 8.76 4.20 0.00 1.81 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.35 7.81 61 S 8.00 4.96 0.00 3.97 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 62 G 8.26 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.17 3.76 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 64 I 7.25 4.84 1.89 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 1.33 0.88 0.94 0.00 0.00 65 Q 9.21 4.21 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 66 S 8.70 4.40 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.09 4.43 0.00 1.98 1.72 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 2.17 1.86 0.00 68 G 8.85 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.23 4.67 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 70 R 7.99 3.70 0.00 1.88 1.90 0.00 3.21 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 71 E 8.04 4.03 0.00 2.04 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 2.37 2.38 0.00 72 S 7.94 4.21 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.12 3.93 0.00 2.12 3.11 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.89 3.91 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 75 L 7.85 3.89 0.00 1.89 1.73 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.04 3.98 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 77 H 8.16 4.11 0.00 3.28 3.27 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.99 4.05 1.40 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 79 T 7.93 3.77 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 1.01 0.00 0.00 80 M 7.60 3.83 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.88 0.00 81 E 8.20 4.20 0.00 2.05 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 0.00 2.37 2.51 0.00 82 A 7.75 4.06 1.41 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 0.00 0.00 83 L 8.06 4.03 0.00 1.74 1.63 0.78 0.86 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 84 H 7.82 4.23 0.00 3.60 3.35 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.01 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 0.00 0.00 0.00 86 V 7.84 4.40 2.17 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 0.66 0.00 0.00 0.89 0.00 0.00 87 T 8.28 4.18 4.48 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 1.21 0.00 0.00 88 R 8.98 3.99 0.00 1.98 2.05 0.00 3.47 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 89 G 8.03 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 90 E 7.78 4.49 0.00 1.94 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 2.22 2.20 0.00 91 M 8.29 4.43 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 92 L 7.30 4.87 0.00 1.60 1.49 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.86 4.53 0.00 1.76 1.64 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.07 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.28 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.65 4.51 0.00 1.75 1.68 0.92 0.96 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 97 L 7.74 3.65 0.00 1.75 1.68 0.92 0.90 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 98 R 8.28 4.93 0.00 1.83 1.80 0.00 3.04 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 99 T 9.47 4.81 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 1.26 0.00 0.00 100 V 8.78 4.78 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 0.59 0.00 0.00 0.95 0.00 0.00 101 G 9.09 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 0.00 0.00 0.00 0.00 102 L 9.24 5.21 0.00 1.71 1.61 0.87 0.71 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 0.00 103 R 9.44 5.22 0.00 1.88 1.86 0.00 3.14 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 104 F 9.17 5.64 0.00 3.16 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 0.00 105 A 9.01 5.23 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.24 4.91 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 1.00 0.00 0.00 1.12 0.00 0.00 107 L 8.74 5.40 0.00 1.69 1.33 0.79 -0.42 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 0.00 108 R 10.14 5.34 0.00 2.02 1.84 0.00 3.55 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 109 G 8.34 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 0.00 110 N 8.30 5.62 0.00 2.80 2.74 0.00 0.00 7.36 7.69 0.00 0.00 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 P 0.00 4.85 0.00 1.82 2.37 0.00 3.86 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.25 0.00 112 Y 7.99 5.44 0.00 3.10 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 0.00 113 E 8.88 4.16 0.00 1.98 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 2.23 1.87 0.00 114 S 8.02 4.33 0.00 3.89 3.80 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 0.00 0.00 0.00 115 E 8.82 4.24 0.00 1.98 1.95 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 2.29 2.31 0.00 116 A 7.78 4.36 1.30 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 0.00 0.00 0.00 0.00 0.00 117 E 7.91 4.05 0.00 2.23 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 0.00 2.31 2.16 0.00 118 G 7.55 3.95 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 0.00 0.00 0.00 119 D 8.36 4.95 0.00 2.73 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 0.00 120 W 9.86 5.33 0.00 3.50 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 0.00 121 I 9.40 5.33 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.78 1.02 0.00 0.00 122 A 9.03 5.15 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 0.00 123 V 9.00 4.29 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 0.96 0.00 0.00 0.92 0.00 0.00 124 S 8.81 5.06 0.00 3.76 3.58 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 0.00 125 L 8.62 5.24 0.00 1.38 1.47 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.66 5.27 0.00 3.06 2.79 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 0.00 127 G 6.31 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.27 5.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 129 I 8.48 4.84 1.82 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 1.10 1.56 0.86 0.00 0.00 130 G 8.50 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 0.00 0.00 0.00 0.00 131 A 8.38 4.48 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 0.00 132 P 0.00 4.27 0.00 2.04 2.14 0.00 3.67 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 2.03 2.12 0.00 133 I 7.49 4.00 1.86 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 0.72 0.91 0.00 0.00 134 K 8.73 4.03 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 135 G 8.02 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 0.00 136 L 7.24 4.38 0.00 1.70 1.63 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.83 5.14 0.00 2.01 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 2.15 2.25 0.00 138 H 8.37 5.13 0.00 3.26 3.43 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.84 4.54 0.00 1.98 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 0.00 2.35 2.37 0.00 140 T 8.54 4.88 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 1.13 0.00 0.00 141 F 8.71 5.29 0.00 3.25 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.41 4.84 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 0.00 0.00 0.00 143 V 8.52 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 0.83 0.00 0.00 0.78 0.00 0.00 144 G 8.99 4.60 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 0.00 145 I 8.50 5.33 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 1.30 0.78 1.18 0.00 0.00 146 N 9.33 5.29 0.00 2.81 2.55 0.00 0.00 6.57 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 0.00 147 H 8.00 3.34 0.00 2.16 1.32 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.93 4.10 1.82 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 1.06 0.88 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.