NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3606 8.2493 123.5871 52.4873 18.8443 176.0262 5 E 4.5274 8.5084 121.1408 56.6490 30.1933 176.0865 6 L 4.1223 7.8110 122.1891 57.8601 43.0861 178.9498 7 Q 4.4614 7.9043 115.9023 55.9947 29.7704 175.2637 8 G 3.5772 7.9826 105.5679 43.4456 0.0000 172.0996 9 K 4.3728 7.6892 121.5360 55.9162 32.5004 176.9682 10 W 5.2873 8.6115 125.5704 55.5540 34.0518 173.3646 11 Y 5.3969 9.3515 119.7153 55.5116 41.6467 174.9154 12 T 4.5397 8.8718 118.3052 63.9734 69.0113 174.4278 13 I 4.3768 9.1270 128.2421 62.8233 38.8791 176.2583 14 V 4.9399 7.4804 119.8460 60.0175 35.2318 174.0397 15 I 5.1053 8.6238 122.2370 59.6044 41.0464 174.2274 16 A 5.5489 9.3790 127.2389 49.3095 21.9104 175.0726 17 A 4.9541 8.3149 120.7122 50.7398 21.8039 176.5009 18 D 4.3620 8.8978 119.7235 55.3028 39.9420 176.5914 19 N 4.7597 7.7762 117.9364 50.7465 38.3523 174.4246 20 L 3.9369 8.3800 125.6993 58.0237 42.2280 178.9861 21 E 3.9788 8.2784 118.3323 59.2406 29.4487 178.7636 22 K 4.0894 8.0755 118.5748 58.3611 31.8656 178.0907 23 I 4.4047 7.3785 110.4171 59.8728 38.6018 175.4773 24 E 4.2821 7.3275 120.3221 55.3992 30.2630 175.7337 25 E 4.1028 8.5712 119.2449 58.5456 29.6732 178.5239 26 G 4.0079 9.0677 110.3706 45.5247 0.0000 174.1031 27 G 3.8378 8.1534 109.9948 44.5657 0.0000 173.2753 28 P 4.3469 0.0000 0.0000 64.4500 31.7623 177.1140 29 L 4.5673 7.9548 117.7406 54.3189 41.7467 176.0763 30 R 4.2073 7.6597 120.5851 55.1398 29.6017 175.3691 31 F 5.1410 7.7387 119.5348 55.2077 41.6517 174.2388 32 Y 4.5329 9.0388 118.0256 56.0259 39.6174 175.4682 33 F 4.7716 9.2415 124.2879 58.4367 40.1514 176.4395 34 R 4.2945 9.5214 117.9769 56.7552 33.8084 174.8976 35 H 5.2739 8.1729 115.6732 55.0865 33.6777 172.2582 36 I 5.0737 8.8722 124.3952 59.6523 40.3255 174.0907 37 D 5.2666 9.1441 126.9721 52.6513 43.2858 174.7961 38 C 5.0630 8.9256 120.8821 55.4833 37.3777 172.9832 39 Y 4.6732 8.6618 120.2910 56.6261 41.6435 174.9902 40 K 3.9210 9.0260 120.5381 59.0354 29.3998 175.0907 41 N 4.1989 8.7282 115.3044 55.5102 36.6004 174.9523 42 C 4.4776 8.2899 109.3303 57.5008 41.2388 173.6859 43 S 4.0481 8.2624 113.4184 59.3924 63.2409 172.4198 44 E 5.2037 7.9746 121.4617 53.0805 33.4972 173.5360 *46 E 4.5131 8.4514 119.6939 56.1667 31.2405 174.4123 47 I 5.0103 8.9159 127.5388 59.8825 40.3221 174.4688 48 T 5.0688 8.8662 123.9482 61.9372 71.2259 173.5435 49 F 5.3031 8.3290 119.4131 56.6092 41.9697 172.2032 50 Y 5.1314 9.5478 117.0035 56.3282 40.9835 175.2323 51 V 5.0484 8.7351 121.3662 61.3618 34.8753 174.1542 52 I 5.0005 8.7997 127.5201 59.9256 39.7440 175.3151 53 T 4.4228 8.5923 122.9326 62.6064 70.3397 173.6812 54 N 4.2410 9.2124 125.1031 54.5695 35.6045 174.3157 55 N 4.1410 8.4576 111.6879 54.4614 37.7816 172.8144 56 Q 4.5572 7.6907 115.5719 53.7717 30.1073 174.2420 57 C 5.0687 8.5807 120.9588 56.5254 38.7125 173.2631 58 S 4.7314 9.2075 117.2591 56.1876 64.9691 172.9161 59 K 3.8549 8.7852 129.2904 56.6253 32.6566 175.9756 60 T 4.5280 8.4861 122.7710 62.0183 73.0555 172.6548 61 T 4.8923 7.9443 116.4351 60.7588 70.9056 173.1547 62 V 4.6662 8.8268 118.6748 59.9000 36.7045 173.9725 63 I 4.6377 8.4489 123.0495 59.4916 39.1277 175.1917 64 G 4.3287 8.5102 113.1832 44.7039 0.0000 171.5076 65 Y 5.2757 8.8396 121.5042 55.5442 40.6804 175.0519 66 L 3.6974 8.9328 127.6937 55.0111 42.8305 176.6051 67 K 4.3543 8.7996 125.9488 54.4541 34.6693 177.7242 68 G 3.5362 8.6417 109.7921 48.8870 0.0000 174.4160 69 N 4.4472 7.9798 114.2637 53.1271 37.5267 175.7679 70 G 3.8311 7.9214 108.2533 45.3410 0.0000 173.5969 71 T 4.5515 7.9029 110.2994 60.7694 71.4361 173.2000 72 Y 4.8759 8.8320 119.6139 56.0121 41.1508 174.4602 73 E 5.2686 8.9081 123.3964 54.8615 32.6385 174.5894 74 T 5.1118 8.9522 119.8828 60.8417 71.6501 172.1457 75 Q 4.9816 8.6083 126.4520 54.8033 30.1759 175.2228 76 F 4.3097 9.4910 122.5886 58.4794 42.6584 173.3666 77 E 3.4133 9.5737 129.8136 57.5730 27.2444 173.5089 78 G 3.7504 7.8950 104.1906 43.9883 0.0000 171.2670 79 N 5.2345 8.6784 117.0012 52.3741 41.0133 174.7429 80 N 5.6029 9.1739 123.0707 51.5329 42.2514 173.4473 81 I 5.0334 8.9870 124.6379 59.6557 39.7154 174.6082 82 F 5.6449 8.9627 122.2826 55.4330 41.7375 173.6910 83 Q 5.2147 9.1277 118.9110 54.3864 32.8667 171.4177 84 P 4.4107 0.0000 0.0000 63.0659 31.5445 175.9082 85 L 4.3391 9.0257 124.5354 56.7947 43.0784 176.9326 86 Y 4.8802 7.5538 119.2822 56.5382 42.2708 173.4515 87 I 4.7699 8.0211 127.3222 59.6078 39.7299 174.8350 88 T 4.5749 8.7432 116.6052 59.2076 71.6516 174.8535 89 S 4.3713 8.6258 114.9618 60.5164 63.5063 174.4880 90 D 4.9386 7.8467 120.9893 54.9283 43.2357 176.6173 91 K 5.1910 8.6728 116.0818 54.6851 37.1542 175.7464 92 I 4.5898 8.2318 122.8836 59.4919 40.7936 174.3684 93 F 4.9108 9.4933 126.6953 56.1845 40.4028 174.9730 94 F 5.3216 9.4253 123.3457 55.9826 41.9629 174.8134 95 T 4.9811 8.8883 116.4542 60.6441 70.0836 172.5773 96 N 5.6265 8.6347 124.1184 52.1323 42.5612 173.3472 97 K 4.7342 9.3039 125.1357 55.0572 35.0411 174.7155 98 N 5.9141 9.1914 126.6187 51.2203 42.7696 171.8784 *100 D 4.4785 8.2776 116.4580 53.2947 40.5034 175.6128 101 R 3.9258 8.4726 113.7760 58.9143 29.6530 177.0067 102 A 4.1952 8.1091 119.2950 52.2767 18.9576 177.8888 103 G 3.9547 7.9617 104.6698 44.7346 0.0000 174.1449 104 Q 4.0170 8.0495 121.0143 56.0033 29.5883 174.7908 105 E 4.8437 8.6104 124.8097 54.6338 31.6410 174.8599 106 T 4.8161 9.1796 122.6248 61.9769 71.8345 173.2323 107 N 5.1318 9.6648 124.1571 52.0367 41.4852 174.1934 *109 I 4.5208 7.9862 120.2356 61.3888 39.2585 174.7771 110 V 4.7637 8.9640 126.2482 61.0312 34.7360 174.1748 111 V 4.5604 8.8513 127.9844 61.2234 33.1517 174.2375 112 A 5.0590 8.7666 130.9195 51.1807 21.1846 175.8303 113 G 4.9055 9.1669 106.7143 45.3463 0.0000 174.0013 114 K 4.4253 9.0425 118.6238 57.3098 32.0593 178.8138 115 G 4.3596 8.0902 118.0203 46.3798 0.0000 172.9722 116 N 4.5766 7.5183 116.6911 51.4842 38.4079 174.3714 117 A 4.2488 8.1319 121.5170 51.6159 19.1296 177.4972 118 L 4.3516 8.1887 120.0934 54.7778 42.3881 178.3381 119 T 4.3125 8.8459 113.8312 60.4845 71.1309 174.1343 120 P 4.2618 0.0000 0.0000 65.8813 31.2305 178.8265 121 E 3.9931 8.1595 116.7979 59.5021 29.4283 179.1190 122 E 4.1799 8.3266 118.6466 59.5629 29.4505 179.1790 123 N 4.4728 8.7009 117.0374 56.1710 38.4818 177.1272 124 E 3.9080 8.3005 120.9095 59.1600 29.7575 178.7509 125 I 3.3002 7.8295 119.9956 64.1672 37.0391 178.0002 126 L 4.3283 8.2373 121.0113 58.4600 41.9001 179.1866 127 V 3.6419 8.1057 118.2651 66.1560 31.4446 177.9642 128 Q 3.9482 8.3903 118.1902 59.0128 28.5194 178.8387 129 F 4.4860 8.1447 118.5937 60.3438 38.8225 177.6133 130 A 4.0733 8.4830 120.7441 55.5704 18.3696 179.3046 131 H 4.0284 8.5089 115.0218 59.1164 28.5713 177.6761 132 E 4.0381 8.2163 119.8203 58.7295 29.5974 178.0415 133 K 4.3393 8.0377 115.3190 55.1409 33.0914 176.2576 134 K 3.8201 7.8565 116.9743 57.9481 29.4885 176.1395 135 I 4.4635 7.8215 118.9633 58.5212 39.4811 174.7356 136 P 4.3004 0.0000 0.0000 62.5735 31.8494 177.7789 137 V 3.6107 8.4049 122.0083 65.6637 31.6805 177.5516 138 E 4.1349 8.1467 116.1846 58.2737 29.9988 176.8514 139 N 4.7357 8.4138 117.7267 53.2040 38.6591 173.8234 140 I 4.4906 7.4168 120.4464 60.3494 38.1466 175.1874 141 L 4.6586 8.9596 128.2852 52.9155 44.1189 175.7317 142 N 4.9635 8.9083 122.2627 52.7399 38.6513 175.5045 143 I 4.3511 8.3589 117.8327 60.6024 38.3634 176.9728 144 L 4.0754 7.9569 122.8252 58.4988 41.6907 178.3461 145 A 4.0245 8.0793 119.5375 54.5751 18.3836 178.4075 146 T 4.5070 7.6734 106.2277 61.2021 69.9599 175.2948 147 D 3.8095 7.9738 122.8965 54.1094 39.5560 174.9570 148 T 4.3102 7.6972 113.2240 61.1462 69.2479 175.9727 149 C 4.3291 7.4310 118.9271 54.8900 41.5128 171.8369 150 P 4.2821 0.0000 0.0000 62.8437 31.4472 176.4463 151 E 4.3580 8.8138 118.9232 56.8257 29.3857 176.7026 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 4 A 8.25 4.36 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 5 E 8.51 4.53 0.00 2.21 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 2.19 2.34 0.00 6 L 7.81 4.12 0.00 1.68 1.76 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.90 4.46 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 8 G 7.98 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 0.00 0.00 0.00 9 K 7.69 4.37 0.00 1.62 1.41 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.12 1.31 7.81 10 W 8.61 5.29 0.00 2.99 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 11 Y 9.35 5.40 0.00 3.04 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 12 T 8.87 4.54 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 0.92 0.00 0.00 13 I 9.13 4.38 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.93 0.00 0.00 14 V 7.48 4.94 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 0.92 0.00 0.00 0.94 0.00 0.00 15 I 8.62 5.11 1.75 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.38 0.89 0.00 0.00 16 A 9.38 5.55 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.31 4.95 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 18 D 8.90 4.36 0.00 2.81 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 19 N 7.78 4.76 0.00 2.76 2.80 0.00 0.00 6.78 6.74 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 20 L 8.38 3.94 0.00 1.87 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.28 3.98 0.00 2.04 1.94 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 2.38 2.36 0.00 22 K 8.08 4.09 0.00 1.92 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 23 I 7.38 4.40 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.96 0.00 0.00 24 E 7.33 4.28 0.00 2.07 1.94 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 2.56 2.43 0.00 25 E 8.57 4.10 0.00 1.98 1.96 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 2.40 2.38 0.00 26 G 9.07 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 0.00 0.00 0.00 27 G 8.15 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 0.00 0.00 0.00 28 P 0.00 4.35 0.00 2.13 2.16 0.00 3.88 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 1.98 1.97 0.00 29 L 7.95 4.57 0.00 1.80 1.75 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.66 4.21 0.00 1.84 1.88 0.00 3.41 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 0.00 31 F 7.74 5.14 0.00 2.82 2.66 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 32 Y 9.04 4.53 0.00 3.15 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 33 F 9.24 4.77 0.00 3.03 3.19 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 34 R 9.52 4.29 0.00 1.85 1.93 0.00 3.43 0.00 0.00 3.14 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 35 H 8.17 5.27 0.00 3.19 3.14 0.00 5.61 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 36 I 8.87 5.07 2.21 0.00 0.00 0.51 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 0.75 0.97 0.00 0.00 37 D 9.14 5.27 0.00 2.61 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 38 C 8.93 5.06 0.00 2.75 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 39 Y 8.66 4.67 0.00 2.98 2.85 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 40 K 9.03 3.92 0.00 2.06 1.89 0.00 1.88 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.59 7.81 41 N 8.73 4.20 0.00 2.84 2.87 0.00 0.00 7.31 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 42 C 8.29 4.48 0.00 3.10 3.22 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 43 S 8.26 4.05 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.97 5.20 0.00 2.19 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 2.14 2.00 0.00 *46 E 8.45 4.51 0.00 2.27 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 2.35 2.56 0.00 47 I 8.92 5.01 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 0.94 0.00 0.00 48 T 8.87 5.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 49 F 8.33 5.30 0.00 3.21 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 50 Y 9.55 5.13 0.00 3.08 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 51 V 8.74 5.05 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 1.26 0.00 0.00 1.37 0.00 0.00 52 I 8.80 5.00 2.05 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.94 0.00 0.00 53 T 8.59 4.42 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 54 N 9.21 4.24 0.00 2.90 2.95 0.00 0.00 7.10 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.46 4.14 0.00 2.81 2.84 0.00 0.00 7.11 7.08 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 56 Q 7.69 4.56 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 57 C 8.58 5.07 0.00 2.77 2.85 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 58 S 9.21 4.73 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.79 3.85 0.00 1.41 1.46 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.01 0.56 7.81 60 T 8.49 4.53 2.69 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 0.00 0.00 0.00 0.98 0.00 0.00 61 T 7.94 4.89 4.09 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 1.17 0.00 0.00 62 V 8.83 4.67 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 0.64 0.00 0.00 0.81 0.00 0.00 63 I 8.45 4.64 1.74 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 1.21 0.55 0.22 0.00 0.00 64 G 8.51 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 65 Y 8.84 5.28 0.00 2.90 2.86 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 66 L 8.93 3.70 0.00 1.08 1.48 0.29 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.80 4.35 0.00 1.81 1.65 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.47 7.81 68 G 8.64 3.54 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 0.00 69 N 7.98 4.45 0.00 2.80 2.91 0.00 0.00 6.23 7.00 0.00 0.00 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 G 7.92 3.83 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 0.00 0.00 0.00 71 T 7.90 4.55 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 1.27 0.00 0.00 72 Y 8.83 4.88 0.00 1.43 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 0.00 0.00 0.00 0.00 73 E 8.91 5.27 0.00 2.06 1.86 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 2.30 2.51 0.00 74 T 8.95 5.11 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 75 Q 8.61 4.98 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 76 F 9.49 4.31 0.00 2.87 2.84 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 77 E 9.57 3.41 0.00 1.81 1.76 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 1.47 1.80 0.00 78 G 7.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.68 5.23 0.00 2.95 2.70 0.00 0.00 6.71 6.71 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 80 N 9.17 5.60 0.00 2.89 2.77 0.00 0.00 6.49 7.02 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 81 I 8.99 5.03 1.92 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 1.32 0.90 0.92 0.00 0.00 82 F 8.96 5.64 0.00 3.27 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 9.13 5.21 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 84 P 0.00 4.41 0.00 1.95 1.58 0.00 4.02 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 85 L 9.03 4.34 0.00 1.15 1.12 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.55 4.88 0.00 3.10 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 87 I 8.02 4.77 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.76 0.00 0.00 88 T 8.74 4.57 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 1.00 0.00 0.00 89 S 8.63 4.37 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.85 4.94 0.00 2.85 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 0.00 0.00 0.00 0.00 91 K 8.67 5.19 0.00 1.73 1.49 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.67 7.81 92 I 8.23 4.59 0.95 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 0.47 -0.36 -0.39 0.00 0.00 93 F 9.49 4.91 0.00 2.89 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 94 F 9.43 5.32 0.00 3.01 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 95 T 8.89 4.98 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 nan 0.00 0.00 96 N 8.63 5.63 0.00 2.75 2.63 0.00 0.00 6.85 6.68 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 97 K 9.30 4.73 0.00 1.75 1.71 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.38 7.81 98 N 9.19 5.91 0.00 2.92 2.70 0.00 0.00 6.77 8.09 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 *100 D 8.28 4.48 0.00 2.94 2.86 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 0.00 101 R 8.47 3.93 0.00 1.92 2.07 0.00 3.00 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 102 A 8.11 4.20 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 0.00 103 G 7.96 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 0.00 104 Q 8.05 4.02 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 105 E 8.61 4.84 0.00 1.93 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 2.21 2.37 0.00 106 T 9.18 4.82 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 1.23 0.00 0.00 107 N 9.66 5.13 0.00 2.75 2.75 0.00 0.00 6.56 7.12 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 *109 I 7.99 4.52 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 1.08 0.00 0.00 110 V 8.96 4.76 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 0.90 0.00 0.00 0.98 0.00 0.00 111 V 8.85 4.56 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 0.30 0.00 0.00 0.70 0.00 0.00 112 A 8.77 5.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.17 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 9.04 4.43 0.00 1.65 1.83 0.00 1.48 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.43 1.22 7.81 115 G 8.09 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 0.00 0.00 0.00 116 N 7.52 4.58 0.00 2.84 2.85 0.00 0.00 5.98 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.13 4.25 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 0.00 118 L 8.19 4.35 0.00 1.68 1.70 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.85 4.31 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 0.00 120 P 0.00 4.26 0.00 2.19 2.16 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 121 E 8.16 3.99 0.00 2.04 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 2.39 2.41 0.00 122 E 8.33 4.18 0.00 2.40 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 2.69 2.53 0.00 123 N 8.70 4.47 0.00 3.00 2.91 0.00 0.00 6.63 7.48 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 0.00 124 E 8.30 3.91 0.00 2.07 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 2.24 2.29 0.00 125 I 7.83 3.30 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.73 -0.04 0.00 0.00 126 L 8.24 4.33 0.00 2.23 2.03 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.11 3.64 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 1.16 0.00 0.00 1.04 0.00 0.00 128 Q 8.39 3.95 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.55 0.00 129 F 8.14 4.49 0.00 3.31 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 0.00 130 A 8.48 4.07 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 0.00 0.00 0.00 0.00 0.00 131 H 8.51 4.03 0.00 3.32 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.22 4.04 0.00 2.12 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 2.41 2.42 0.00 133 K 8.04 4.34 0.00 1.85 1.87 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.68 1.67 7.81 134 K 7.86 3.82 0.00 1.98 1.94 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 135 I 7.82 4.46 1.90 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 1.32 0.83 0.95 0.00 0.00 136 P 0.00 4.30 0.00 2.17 1.98 0.00 3.61 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 2.25 2.08 0.00 137 V 8.40 3.61 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 1.04 0.00 0.00 0.89 0.00 0.00 138 E 8.15 4.13 0.00 2.12 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 0.00 2.28 2.28 0.00 139 N 8.41 4.74 0.00 2.97 2.95 0.00 0.00 6.80 7.03 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 0.00 140 I 7.42 4.49 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.94 0.00 0.00 141 L 8.96 4.66 0.00 1.59 1.54 0.97 0.49 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 0.00 142 N 8.91 4.96 0.00 2.60 2.80 0.00 0.00 6.99 7.45 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 0.00 143 I 8.36 4.35 1.87 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 0.84 0.00 0.00 144 L 7.96 4.08 0.00 1.96 1.74 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.08 4.02 1.32 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 0.00 146 T 7.67 4.51 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 1.32 0.00 0.00 147 D 7.97 3.81 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 7.70 4.31 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 1.16 0.00 0.00 149 C 7.43 4.33 0.00 2.43 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 0.00 150 P 0.00 4.28 0.00 2.11 2.03 0.00 3.00 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 151 E 8.81 4.36 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.