NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 H 4.9431 8.3033 120.6524 56.0647 31.1874 171.6420 21 W 4.8606 9.0118 125.5460 54.4454 32.3666 174.4764 22 I 4.5266 9.6405 125.0716 58.9092 39.8206 172.8096 23 P 4.9862 0.0000 0.0000 62.3477 32.5940 175.8831 24 V 4.7139 9.3481 123.7806 61.1517 35.0458 174.5425 25 V 5.0140 8.7978 119.2723 59.7898 35.0948 174.5269 26 A 5.0313 8.6898 123.8012 50.6136 22.8652 175.4050 27 G 4.2681 8.7977 107.0461 44.3791 0.0000 172.8563 28 F 5.2693 9.0176 121.8525 56.0894 40.5695 174.8407 29 L 5.4692 8.6907 123.9577 53.1370 44.2943 176.2385 30 R 5.4386 9.0698 119.9427 54.7250 34.1557 175.6556 31 K 4.0053 9.0606 121.4591 55.9618 33.5713 175.8461 32 D 4.3166 9.8268 128.8737 55.3450 38.6795 173.6701 33 G 4.2801 8.5161 107.3806 45.7404 0.0000 175.1192 34 K 4.4833 7.9094 118.1957 56.4388 33.4549 176.2159 35 I 5.2809 9.0509 122.4933 59.2642 41.6974 173.9068 36 L 4.3840 8.4576 129.3717 54.0982 42.5227 176.1925 37 V 4.6095 8.3625 119.3483 59.4491 35.7506 174.9292 38 G 4.1515 9.2087 109.3476 44.3550 0.0000 171.7495 39 Q 3.7921 8.5761 124.3501 54.0952 29.6866 175.1324 40 R 3.8067 8.3794 126.4366 56.7247 30.8666 175.6235 41 P 4.2615 0.0000 0.0000 64.3444 32.1529 177.7388 42 E 4.2965 7.6606 116.9429 54.8172 30.0471 176.0708 *47 A 3.9215 8.0227 122.6877 55.2561 18.4450 176.9569 48 G 3.9197 8.1517 110.7643 46.0849 0.0000 172.7537 49 Q 4.3926 7.5438 117.9692 55.7203 30.1247 175.4258 50 W 4.8921 9.1445 122.3552 56.0826 31.4076 175.2041 51 E 4.6527 8.5373 118.8428 55.3522 32.9043 174.0667 52 F 4.8138 8.5907 119.3506 56.3399 40.1696 174.1359 53 P 4.3944 0.0000 0.0000 62.3559 32.2692 177.1142 54 G 4.0167 8.1631 108.8544 48.1344 0.0000 170.3997 55 G 3.8696 7.1170 107.6068 45.7470 0.0000 171.7027 56 K 4.6659 8.3094 118.4973 56.0911 32.9831 177.4055 57 I 3.9345 7.9182 125.3202 61.4068 37.4642 176.1619 58 E 4.3348 9.6738 127.3045 55.1616 31.2486 175.8663 59 N 4.1307 8.6692 119.6366 55.7914 39.2157 173.4198 60 G 4.1558 9.1487 113.0949 45.5189 0.0000 173.5846 61 E 4.8974 7.6618 116.4783 54.5807 30.9201 177.2278 62 T 4.0450 8.3892 112.0048 61.1449 70.8590 173.3821 63 P 4.2009 0.0000 0.0000 66.0342 31.3009 178.7096 64 E 3.5808 7.9242 116.5103 59.3521 29.5391 179.1400 65 E 3.8895 8.0132 118.0054 59.3517 29.5110 179.2278 66 A 4.0888 7.9684 120.7594 55.0185 18.3841 179.5485 67 L 3.7776 7.8277 118.4905 58.2529 42.2433 178.8746 68 A 4.0498 8.2110 121.1486 55.1120 18.1332 179.6970 69 R 3.7842 8.0103 117.1147 59.7314 30.1678 178.6793 70 E 3.9190 8.2769 118.4631 59.2770 29.3297 179.2908 71 L 3.9311 8.3393 119.5386 57.6667 41.6480 179.0356 72 N 4.6946 8.3900 118.4507 56.3443 38.7987 176.8597 73 E 4.1912 8.1776 117.5734 59.0862 29.9190 178.3689 74 E 4.1813 8.6180 120.1192 58.2361 29.6928 178.0777 75 L 4.7601 7.8071 119.0547 52.5353 43.2574 178.1059 76 G 4.0981 8.3103 106.5176 45.8403 0.0000 173.0325 77 I 4.6035 7.4062 112.3650 59.1173 41.0316 174.3072 78 E 4.7398 8.7133 125.2096 54.8726 29.5138 173.6411 79 A 5.2649 8.3148 126.6913 50.2940 20.8465 175.7496 80 E 4.4007 9.2560 123.4564 55.4468 30.9846 175.7020 81 V 4.0966 8.3944 126.6278 61.8219 32.5184 175.5271 82 G 4.1951 8.4090 118.8772 45.5495 0.0000 172.5989 83 E 4.2729 8.9673 119.4585 56.8431 30.7858 176.4548 84 L 3.6921 8.5584 125.7848 55.2821 42.2579 175.9581 85 K 4.4511 8.9110 125.8575 57.8695 33.6463 176.6906 86 L 4.8495 7.5009 117.0708 53.2889 46.4914 174.7795 87 A 5.8995 8.7157 121.7060 49.5577 22.1820 175.0217 88 C 5.0417 8.7326 115.0701 56.9482 33.8259 172.6166 89 T 5.4334 8.3823 108.7967 60.7267 71.6157 172.5141 90 H 4.8422 9.0306 120.1869 55.2858 33.8593 172.1241 91 S 4.7729 8.0248 119.8540 56.7049 65.2387 174.4491 92 Y 4.6628 8.7570 123.0277 55.3208 38.4509 175.7683 93 G 4.0894 7.7654 115.6378 45.4559 0.0000 172.5778 94 D 4.4671 8.6185 124.4199 54.1595 41.1140 175.8274 95 V 3.7791 7.3487 120.2512 61.5797 32.3665 174.5279 96 G 3.5701 7.8111 113.2219 43.9670 0.0000 171.4934 97 I 5.1737 8.5871 119.8959 59.0993 40.5334 174.3672 98 L 5.2850 8.8892 127.0873 53.5834 44.6190 174.7490 99 I 4.7042 8.7144 127.7305 59.5494 39.6627 174.5558 100 L 4.9471 8.5962 127.1999 52.9382 44.1927 175.2859 101 F 5.0663 8.9684 123.0399 55.8290 41.4831 174.4094 102 Y 4.9846 8.4782 120.4613 55.9045 42.0028 174.3500 103 E 4.5943 9.1647 124.4890 56.0376 31.1868 175.3380 104 I 4.6593 8.8518 128.5181 60.0504 38.0083 175.1701 105 L 4.2853 8.4926 127.6363 55.6912 42.5716 177.0800 106 Y 5.1206 7.4758 115.7230 55.9225 41.2557 174.9432 107 W 5.5504 8.3536 118.9442 55.8825 31.2935 173.3689 108 K 4.5058 9.2340 120.4424 56.0612 33.9788 177.7903 109 G 4.0574 9.2045 112.1570 44.6778 0.0000 171.5733 110 E 5.0530 8.3571 116.8295 53.5345 32.2229 174.3994 111 P 4.7042 0.0000 0.0000 63.0209 31.8244 175.8390 112 R 4.7395 8.9137 120.0051 54.0091 33.0866 175.0785 113 A 4.3509 8.6904 122.6510 52.3546 17.1421 176.9792 114 K 4.2428 8.5254 121.2642 58.5574 33.2572 178.1156 115 H 4.5658 8.0366 112.5325 57.2558 31.2057 173.9952 116 H 4.3944 7.8720 116.6390 55.6035 29.0256 175.9097 117 M 4.1492 7.9788 119.3673 56.7251 31.5567 175.6517 118 M 4.7942 7.3286 118.3877 54.7172 36.3214 173.0707 119 L 5.3599 8.5386 123.2536 53.1128 45.5033 175.7816 120 E 4.6910 8.8732 121.2135 54.4600 34.2587 174.6290 121 W 4.9056 8.8765 124.0958 55.9821 29.8450 175.6608 122 I 4.6008 8.5353 118.7935 58.6890 40.7232 175.0672 123 H 4.5619 8.5646 120.7525 55.6185 29.2562 174.9673 124 P 4.5393 0.0000 0.0000 65.6599 31.1328 178.2369 125 E 4.1014 8.3036 119.1059 58.5780 29.3856 178.2672 126 E 3.7729 8.6680 119.6823 58.7239 29.4619 178.3753 127 L 3.8724 7.9400 119.2626 57.9840 41.3882 179.6024 128 K 4.2442 8.0697 117.6992 58.5093 31.9586 177.0590 129 H 5.0324 7.9989 113.9783 55.1625 29.0726 173.1252 130 R 4.5524 7.3083 118.2572 55.3750 32.3145 176.4212 131 N 4.7527 8.9226 121.3183 53.5446 39.2381 173.6058 132 I 5.3166 8.0074 118.7238 56.9655 41.0936 173.6701 133 P 4.5901 0.0000 0.0000 62.3016 31.9320 177.1509 134 E 3.9229 9.2725 122.4056 59.5591 29.0995 178.9433 135 A 3.8755 7.9354 119.4379 55.2816 18.8248 178.9405 136 N 4.5411 8.0953 114.3376 56.3900 38.6903 177.2873 137 R 3.9444 8.3515 120.5273 59.6854 29.9090 178.5417 138 K 4.2240 8.1093 116.5804 57.8600 32.2804 177.7069 139 I 4.1538 7.2664 111.8473 59.8042 38.2048 176.9699 140 L 3.6936 7.4996 126.0006 59.1584 41.6395 178.6986 141 H 3.7436 7.1814 114.2949 58.4961 28.2941 177.5734 142 K 3.8159 7.4476 121.0554 58.9343 31.9169 179.1084 143 I 3.3731 7.4822 119.9404 64.4043 36.7128 178.0022 144 Y 4.2598 7.4940 117.3988 60.9563 37.6603 178.5213 145 K 4.1478 8.2568 121.3658 59.1150 32.1353 178.4205 146 A 3.5211 7.8508 119.4494 54.9198 18.1608 178.5156 147 L 4.3371 7.4208 115.1159 53.5313 42.5979 176.8367 148 G 3.9215 8.9565 107.5530 46.6956 0.0000 172.9422 149 L 4.8686 8.0635 117.2843 52.6925 46.1963 175.6558 150 E 4.7417 8.2200 117.1128 54.2073 31.2525 176.6758 151 W 4.2714 8.9001 131.4016 57.6609 31.0574 175.5958 152 R 4.1052 7.5451 122.4105 57.5680 30.9800 175.3512 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 20 H 8.30 4.94 0.00 3.21 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 9.01 4.86 0.00 3.32 3.20 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 22 I 9.64 4.53 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.94 0.00 0.00 23 P 0.00 4.99 0.00 2.09 1.98 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 24 V 9.35 4.71 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 1.03 0.00 0.00 0.99 0.00 0.00 25 V 8.80 5.01 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 0.72 0.00 0.00 0.96 0.00 0.00 26 A 8.69 5.03 1.06 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 0.00 0.00 27 G 8.80 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 28 F 9.02 5.27 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.69 5.47 0.00 1.73 1.64 -0.17 0.81 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 30 R 9.07 5.44 0.00 1.91 1.92 0.00 3.38 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 31 K 9.06 4.01 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.64 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.89 0.89 7.81 32 D 9.83 4.32 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 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 0.00 0.00 0.00 0.00 34 K 7.91 4.48 0.00 2.03 2.05 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 35 I 9.05 5.28 2.00 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 1.47 1.94 1.11 0.00 0.00 36 L 8.46 4.38 0.00 0.69 1.29 -0.37 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.36 4.61 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 0.19 0.00 0.00 0.73 0.00 0.00 38 G 9.21 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 39 Q 8.58 3.79 0.00 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.76 1.28 0.00 40 R 8.38 3.81 0.00 1.78 1.76 0.00 3.14 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 41 P 0.00 4.26 0.00 2.10 2.04 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 42 E 7.66 4.30 0.00 2.01 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 2.11 2.21 0.00 *47 A 8.02 3.92 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 48 G 8.15 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 49 Q 7.54 4.39 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.71 2.38 0.00 50 W 9.14 4.89 0.00 3.18 2.99 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 0.00 0.00 0.00 51 E 8.54 4.65 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 2.21 2.34 0.00 52 F 8.59 4.81 0.00 3.17 3.39 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 53 P 0.00 4.39 0.00 2.05 1.96 0.00 4.03 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 54 G 8.16 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 0.00 0.00 0.00 55 G 7.12 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.31 4.67 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.46 7.81 57 I 7.92 3.93 1.87 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 1.21 0.46 0.90 0.00 0.00 58 E 9.67 4.33 0.00 1.88 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 2.48 2.38 0.00 59 N 8.67 4.13 0.00 2.66 2.76 0.00 0.00 7.30 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 9.15 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.66 4.90 0.00 2.01 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 2.45 2.17 0.00 62 T 8.39 4.05 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 1.20 0.00 0.00 63 P 0.00 4.20 0.00 2.21 2.28 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 64 E 7.92 3.58 0.00 1.94 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 2.29 2.09 0.00 65 E 8.01 3.89 0.00 2.17 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 2.30 2.29 0.00 66 A 7.97 4.09 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 67 L 7.83 3.78 0.00 1.67 1.55 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.21 4.05 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 69 R 8.01 3.78 0.00 1.94 2.10 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 70 E 8.28 3.92 0.00 1.98 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 2.43 2.52 0.00 71 L 8.34 3.93 0.00 1.94 1.68 0.87 0.51 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 72 N 8.39 4.69 0.00 2.97 2.98 0.00 0.00 6.54 7.77 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 73 E 8.18 4.19 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 2.56 2.28 0.00 74 E 8.62 4.18 0.00 2.16 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 0.00 2.21 2.25 0.00 75 L 7.81 4.76 0.00 1.74 1.58 0.74 0.66 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 76 G 8.31 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 77 I 7.41 4.60 2.12 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.86 0.94 0.00 0.00 78 E 8.71 4.74 0.00 2.09 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 2.28 2.29 0.00 79 A 8.31 5.26 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 80 E 9.26 4.40 0.00 2.13 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 2.42 2.34 0.00 81 V 8.39 4.10 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 0.46 0.00 0.00 0.86 0.00 0.00 82 G 8.41 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 83 E 8.97 4.27 0.00 1.99 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 2.45 2.37 0.00 84 L 8.56 3.69 0.00 1.41 1.46 0.18 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.91 4.45 0.00 1.73 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.72 7.81 86 L 7.50 4.85 0.00 1.65 1.56 0.59 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.72 5.90 1.13 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 88 C 8.73 5.04 0.00 3.02 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 89 T 8.38 5.43 4.70 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 1.27 0.00 0.00 90 H 9.03 4.84 0.00 3.19 3.00 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.02 4.77 0.00 3.54 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.76 4.66 0.00 2.97 2.74 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 93 G 7.77 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 0.00 0.00 0.00 0.00 94 D 8.62 4.47 0.00 2.64 2.67 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 95 V 7.35 3.78 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 0.98 0.00 0.00 0.93 0.00 0.00 96 G 7.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.59 5.17 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 1.00 0.00 0.00 98 L 8.89 5.28 0.00 1.91 1.60 0.64 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.71 4.70 1.61 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 1.18 0.50 0.08 0.00 0.00 100 L 8.60 4.95 0.00 1.59 1.31 0.99 0.79 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 0.00 101 F 8.97 5.07 0.00 2.59 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 0.00 0.00 0.00 102 Y 8.48 4.98 0.00 2.80 2.75 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 0.00 103 E 9.16 4.59 0.00 2.16 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 2.36 2.43 0.00 104 I 8.85 4.66 2.11 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 1.42 1.07 1.11 0.00 0.00 105 L 8.49 4.29 0.00 0.34 0.66 0.73 0.79 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 0.00 106 Y 7.48 5.12 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 8.35 5.55 0.00 3.28 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 9.23 4.51 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.43 7.81 109 G 9.20 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 0.00 0.00 0.00 110 E 8.36 5.05 0.00 2.07 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 2.34 2.36 0.00 111 P 0.00 4.70 0.00 1.91 1.87 0.00 3.96 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.85 0.00 112 R 8.91 4.74 0.00 1.86 2.03 0.00 2.80 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 113 A 8.69 4.35 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 0.00 114 K 8.53 4.24 0.00 1.90 1.90 0.00 1.75 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.41 7.81 115 H 8.04 4.57 0.00 2.98 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.39 0.00 3.22 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 7.98 4.15 0.00 2.10 2.11 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 2.45 2.36 0.00 118 M 7.33 4.79 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 119 L 8.54 5.36 0.00 1.49 1.37 0.84 0.71 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 0.00 120 E 8.87 4.69 0.00 1.63 1.59 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 2.22 2.38 0.00 121 W 8.88 4.91 0.00 3.18 3.15 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 0.00 122 I 8.54 4.60 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.28 0.64 0.00 0.00 123 H 8.56 4.56 0.00 3.25 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.54 0.00 2.36 2.30 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 125 E 8.30 4.10 0.00 2.02 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 2.35 2.30 0.00 126 E 8.67 3.77 0.00 2.00 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 2.08 2.01 0.00 127 L 7.94 3.87 0.00 2.05 1.73 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.07 4.24 0.00 1.97 1.96 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.74 7.81 129 H 8.00 5.03 0.00 3.17 3.34 0.00 5.73 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.31 4.55 0.00 1.55 1.77 0.00 2.65 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.26 0.00 131 N 8.92 4.75 0.00 2.88 2.90 0.00 0.00 6.60 7.77 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 0.00 132 I 8.01 5.32 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.88 0.90 0.00 0.00 133 P 0.00 4.59 0.00 2.33 2.20 0.00 3.97 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 2.23 2.12 0.00 134 E 9.27 3.92 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 2.43 2.41 0.00 135 A 7.94 3.88 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 0.00 136 N 8.10 4.54 0.00 3.09 3.04 0.00 0.00 6.74 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 0.00 137 R 8.35 3.94 0.00 1.94 2.15 0.00 3.22 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 1.82 1.79 0.00 138 K 8.11 4.22 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 139 I 7.27 4.15 1.69 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.86 0.00 0.00 140 L 7.50 3.69 0.00 1.91 1.82 0.64 1.10 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 0.00 141 H 7.18 3.74 0.00 2.62 1.31 0.00 5.52 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 0.00 142 K 7.45 3.82 0.00 1.73 1.77 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.30 7.81 143 I 7.48 3.37 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.83 0.36 0.00 0.00 144 Y 7.49 4.26 0.00 3.27 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 0.00 145 K 8.26 4.15 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.33 7.81 146 A 7.85 3.52 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 0.00 147 L 7.42 4.34 0.00 1.75 1.61 0.51 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.06 4.87 0.00 1.92 1.47 1.02 0.59 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 0.00 150 E 8.22 4.74 0.00 2.10 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 2.21 2.17 0.00 151 W 8.90 4.27 0.00 3.25 3.32 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 0.00 152 R 7.55 4.11 0.00 1.81 1.67 0.00 3.21 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.