NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2622 8.1133 121.1120 56.4627 31.9763 173.7939 3 T 4.5272 8.3047 122.7332 61.4288 69.1534 174.6472 4 L 4.2309 9.2753 131.6813 54.2450 44.2421 178.2390 *6 I 3.9055 8.3141 127.6755 62.4640 38.1458 175.0454 7 E 4.7127 8.5883 127.5987 53.8619 31.7068 174.2820 8 P 4.6861 0.0000 0.0000 62.5645 32.2973 175.7273 9 L 4.2787 8.3508 126.3411 55.3329 42.5880 176.2454 10 T 4.7173 8.2149 114.6373 58.8536 72.1521 174.7371 11 K 3.9568 8.8584 122.8989 59.7978 31.8949 179.4126 12 E 3.9898 8.1522 115.6931 59.4891 29.6342 178.5236 13 A 4.3131 8.0517 120.6289 53.9673 18.8725 178.3855 14 F 4.5533 8.2782 117.4884 58.6583 38.1100 176.9814 15 A 3.9242 7.7238 120.6030 56.3549 17.8506 179.2099 16 Q 3.6959 7.5910 115.5988 57.9632 29.3957 176.9322 17 F 4.7402 8.1581 118.0111 58.0004 40.4200 175.9655 18 G 4.2061 5.6051 102.9601 45.7475 0.0000 170.8554 19 D 5.1579 8.0360 119.9209 52.5715 44.6389 175.3919 20 V 4.3273 8.2819 121.0113 61.5260 33.2327 175.4834 21 I 4.3425 8.5685 130.5314 60.5868 37.3631 174.5181 22 E 4.8118 8.2354 123.6441 55.6810 32.0622 175.2226 23 T 3.3227 8.1278 109.7112 63.1219 69.7109 175.1033 24 D 4.4390 7.8004 121.8097 55.5956 40.9592 176.8039 25 G 3.9469 8.8542 111.3602 45.8905 0.0000 173.3098 26 S 4.7253 7.8572 115.4846 57.1545 64.0555 173.5642 27 D 4.9198 8.4888 122.7650 54.8888 42.5386 174.3464 28 H 4.7022 8.1890 116.9973 54.0882 30.9377 173.3463 29 F 4.6391 7.5987 117.6879 56.0651 40.8274 174.4740 *31 I 3.8907 8.3024 111.8865 60.0130 39.6122 174.4663 32 N 4.3259 9.0461 115.6585 54.9370 35.6011 174.3014 33 N 4.4370 8.7814 105.8529 54.5837 36.5029 175.6840 34 G 3.9008 8.3715 102.2367 46.6272 0.0000 175.1013 35 S 4.6013 7.7693 113.9881 58.5458 63.7102 174.0413 36 T 4.4862 7.3270 117.1613 62.5684 72.2979 174.1707 *38 R 3.6845 8.5568 125.6223 57.2835 31.2814 175.7610 39 F 4.7361 8.5808 126.3411 55.6928 37.8337 174.2028 40 H 4.1000 8.3699 122.3101 56.3945 30.1176 174.8277 41 K 3.7258 8.2563 124.8717 57.6352 30.1611 175.2792 42 L 4.1711 7.6136 118.5355 57.2801 42.5529 177.6700 43 A 4.6808 7.1627 115.8015 51.1953 22.2498 175.3606 44 T 4.5818 8.1910 116.3136 61.4679 71.3780 174.1474 45 V 4.0386 8.4148 126.6609 62.4819 32.4523 174.7203 46 E 4.9276 9.2076 126.3661 54.7386 32.2322 175.0145 47 T 5.0692 8.6704 110.8596 59.1090 71.8786 173.3319 48 A 4.3761 8.8413 123.5952 53.2288 20.1238 177.4788 49 E 4.8321 8.6564 114.7648 53.5256 32.4793 175.5617 50 P 4.3436 0.0000 0.0000 65.6770 31.5170 177.6010 51 E 4.1261 8.0611 117.2037 58.4430 29.7837 176.8073 52 D 4.7819 7.6921 118.4421 54.4773 41.6668 176.1378 53 K 4.7562 8.9931 119.5741 54.5643 36.3800 175.0599 54 A 4.9934 8.5864 125.2227 50.9778 20.0919 176.6169 55 I 4.6608 8.8448 115.8122 59.0077 41.5876 174.3394 56 I 4.9528 8.2589 123.0499 59.8552 39.5918 175.0571 57 S 4.8922 9.2475 122.0942 56.9302 67.9904 172.6422 58 I 5.1045 8.3805 120.2514 59.8206 40.2260 175.2228 59 F 5.0422 9.4772 125.6574 55.8540 41.4557 174.7128 60 R 4.9923 8.9057 123.7930 54.8432 31.3632 174.2454 61 A 4.9440 9.0457 128.6658 50.3718 21.7639 175.2088 62 D 5.3444 8.5968 119.8417 52.7229 42.8486 176.5255 63 A 4.6225 8.7652 123.4558 51.8650 19.0858 177.3459 64 Q 4.5245 8.4514 118.7485 54.1803 30.7955 175.9774 65 D 4.5510 8.2220 120.4945 53.3472 41.9818 173.8061 *67 P 4.2627 0.0000 0.0000 62.8738 32.4080 175.1761 68 L 4.6314 8.5476 122.7227 53.8851 44.2658 175.2489 69 T 4.7777 8.4056 122.9725 62.3132 69.3402 174.7590 70 V 3.9320 8.7281 129.1649 62.0879 31.9658 175.7521 71 R 4.7471 8.4977 124.5660 56.0103 30.1388 174.7938 *73 L 4.4292 7.6706 117.3310 55.2320 43.5781 175.3879 74 E 5.9705 9.3780 118.6416 53.8334 33.3029 174.7419 75 R 4.4792 7.7842 115.0360 54.9971 33.6372 173.6956 76 H 5.1733 8.3741 117.8383 53.3376 29.7469 173.0601 77 P 4.2642 0.0000 0.0000 64.4808 31.5226 177.5020 78 L 4.5093 8.3327 118.7506 53.7488 41.8170 175.4237 79 G 4.0890 7.2360 105.9622 45.9340 0.0000 172.9879 80 S 4.8388 8.1366 115.7695 57.6710 65.6797 173.1746 81 Q 4.5460 8.9252 120.4269 54.8876 32.4001 172.8942 82 A 5.3016 9.0994 128.7674 50.1823 22.2416 175.0084 83 F 4.9702 9.4385 119.7880 55.6323 42.5873 174.3234 84 I 5.0158 8.7894 124.7235 58.4268 40.3501 173.3839 85 P 4.3107 0.0000 0.0000 63.2645 31.2134 176.1176 86 L 4.4518 8.2492 121.2494 54.7530 42.0688 177.3975 87 L 4.3634 7.7216 117.2409 53.8228 42.2841 177.1479 88 G 4.2629 7.9174 106.2914 46.2239 0.0000 172.7079 89 N 4.9528 7.2752 116.6807 51.1403 40.1814 173.4589 90 P 4.9712 0.0000 0.0000 62.4853 32.5369 175.1433 91 F 5.1101 8.3404 115.4370 56.1057 41.6054 172.6911 92 L 5.0734 8.7944 119.3252 53.4847 43.7317 176.5556 93 I 4.7579 8.6811 121.8127 59.6558 41.5111 174.4500 94 V 4.8923 8.5281 125.6709 61.3094 34.5365 174.5895 95 V 5.2352 8.8598 119.6413 60.0898 36.7781 173.8481 96 A 5.1358 9.0362 121.9523 49.9109 22.7035 174.4370 97 P 4.8252 0.0000 0.0000 62.4908 32.3153 176.8491 98 V 3.9706 8.6805 114.8127 61.2336 32.1375 176.2214 99 G 4.3675 8.8499 114.9157 45.3597 0.0000 172.2302 100 D 4.6336 8.6710 119.8127 57.0589 41.0078 177.3885 101 A 4.1709 7.5002 118.9279 49.2386 22.1033 173.7823 102 P 3.7184 0.0000 0.0000 62.4041 31.9111 176.1764 103 V 3.9728 8.1641 122.0661 61.4822 32.2207 175.8628 104 S 3.6335 8.9834 123.0580 61.4122 62.0275 176.4999 105 G 3.6972 7.9698 106.2024 47.3844 0.0000 173.6326 106 L 4.5447 7.6742 118.4803 54.2934 42.4921 176.8571 107 V 4.0361 7.4743 119.9434 63.1692 32.0114 175.4356 108 R 4.6990 9.1739 125.5777 54.1737 34.3783 174.1082 109 A 5.0779 7.9565 122.0316 50.2354 22.1902 175.1680 110 F 5.3530 9.5543 119.8295 55.5742 44.0313 173.9822 111 R 4.7751 8.7448 120.4854 54.5837 32.5515 174.5275 112 S 4.6444 8.4686 122.2200 57.6766 63.5600 174.1721 113 N 4.6596 9.0210 122.7454 53.2578 37.6907 175.8737 114 G 4.3063 8.4126 108.6425 46.5883 0.0000 175.0189 115 R 4.6638 8.6355 116.6319 55.8098 31.0503 175.8392 116 Q 4.7715 8.1258 117.8831 54.0728 31.9037 175.0472 117 G 4.3783 9.0689 110.3878 44.6542 0.0000 172.1388 118 V 4.8636 8.8995 111.9024 59.3779 36.5388 174.7582 119 N 5.2434 9.0194 122.2944 51.9181 41.6918 172.9296 120 Y 4.9857 8.8662 126.0133 57.9321 39.1818 175.6416 121 H 4.8808 9.1513 121.9725 55.3100 30.3906 175.1880 122 R 4.3133 8.1540 120.9676 57.6103 30.1351 177.1143 123 G 3.8205 8.5410 113.8640 45.0147 0.0000 173.7390 124 V 3.8666 7.3371 120.1322 62.6067 32.2930 175.7098 125 W 4.6963 8.8672 128.0277 56.8032 30.4101 175.0826 126 H 5.2663 9.2722 118.9095 54.6673 31.7748 171.7330 127 H 4.8751 8.6559 119.6824 53.9732 31.0817 173.2301 128 P 4.2861 0.0000 0.0000 62.7169 31.7650 176.2308 129 V 3.1346 7.9830 119.5945 61.6956 31.6949 175.4987 130 L 4.7634 8.6494 125.4585 53.0398 43.5509 176.0572 131 T 4.7592 8.4848 114.5737 61.5691 70.3516 175.4079 132 I 4.1762 8.4500 122.0562 62.8441 38.8005 176.8027 133 E 4.3495 7.9530 117.6526 55.5463 30.4299 176.4723 134 K 4.1474 8.7831 120.3422 59.7534 32.9759 177.1262 135 R 5.2463 7.7578 115.2692 54.9042 34.4047 174.1851 136 D 4.6501 9.0523 120.2177 53.2081 45.5173 173.3451 137 D 5.5487 8.2675 122.6467 52.5989 43.7996 175.2492 138 F 5.2149 9.1653 120.8235 55.5411 43.4095 173.6039 139 L 4.7201 9.1929 125.1859 54.1519 43.6828 175.3425 140 V 4.9097 8.6600 125.8417 59.9013 34.6107 174.1466 141 V 4.8707 8.0017 126.8954 61.3103 34.2945 173.7750 142 D 4.8874 8.4726 126.6155 52.0319 43.2089 173.7525 143 R 4.7309 8.4242 118.4793 55.9058 31.3702 175.8331 144 S 4.5651 8.8346 120.3423 57.0336 65.3456 173.1887 145 G 4.4637 8.1252 112.9900 46.2616 0.0000 172.4166 146 S 4.4830 8.7751 115.0791 58.0454 64.3164 174.2202 147 G 3.6727 8.6163 106.5537 44.3227 0.0000 171.4770 148 N 4.8034 8.4379 118.5176 52.1620 39.6068 175.2540 149 N 4.9538 8.2870 127.2209 52.4436 39.6518 174.1855 150 C 4.6074 8.3936 116.3979 58.8424 34.8444 172.5408 151 D 4.9538 9.0383 128.1071 52.6278 42.9357 175.3020 152 E 5.0197 8.9550 123.7256 55.0326 31.1698 174.8641 153 H 4.7334 9.0375 125.9915 54.4990 31.4048 173.1780 154 Y 4.3498 8.3473 123.7941 56.9049 38.8112 175.7819 155 F 4.9441 8.7582 123.8064 57.3435 40.3077 175.5273 156 T 4.3309 9.0730 111.5633 60.7304 69.8361 175.4042 157 E 3.9457 8.8828 122.8363 59.3949 29.4480 177.8043 158 E 4.1285 8.0998 113.7043 57.8944 30.5731 177.2314 159 Q 4.0069 7.4719 121.4515 54.4021 27.3230 174.1066 *161 L 4.2446 7.2750 120.2771 54.6060 44.5432 176.5338 162 I 4.8079 8.4565 120.6090 59.5171 40.3257 174.6610 163 L 4.6007 9.1536 129.9102 53.6503 42.9085 174.3297 164 N 5.0777 8.4776 126.2582 50.8810 39.5232 172.6739 165 P 4.2841 0.0000 0.0000 64.0338 32.2394 176.8996 166 H 4.5874 7.4267 121.7151 55.9961 29.1624 173.2713 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 R 8.11 4.26 0.00 1.84 1.77 0.00 3.07 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 3 T 8.30 4.53 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 1.17 0.00 0.00 4 L 9.28 4.23 0.00 1.44 1.39 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *6 I 8.31 3.91 1.82 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 0.41 0.86 0.00 0.00 7 E 8.59 4.71 0.00 1.81 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 2.13 2.08 0.00 8 P 0.00 4.69 0.00 2.09 2.07 0.00 3.80 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 2.04 1.99 0.00 9 L 8.35 4.28 0.00 1.58 1.62 -0.09 0.49 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 10 T 8.21 4.72 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 1.30 0.00 0.00 11 K 8.86 3.96 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.64 7.81 12 E 8.15 3.99 0.00 2.15 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 0.00 2.34 2.36 0.00 13 A 8.05 4.31 1.61 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 0.00 0.00 14 F 8.28 4.55 0.00 2.79 2.95 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 15 A 7.72 3.92 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 16 Q 7.59 3.70 0.00 1.64 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 1.83 2.17 0.00 17 F 8.16 4.74 0.00 1.67 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 18 G 5.61 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.04 5.16 0.00 2.69 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 20 V 8.28 4.33 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 0.68 0.00 0.00 0.73 0.00 0.00 21 I 8.57 4.34 1.84 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 1.27 0.36 0.88 0.00 0.00 22 E 8.24 4.81 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.38 0.00 23 T 8.13 3.32 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 0.39 0.00 0.00 24 D 7.80 4.44 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.85 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 26 S 7.86 4.73 0.00 4.16 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 27 D 8.49 4.92 0.00 2.88 2.61 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 28 H 8.19 4.70 0.00 2.30 2.00 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.60 4.64 0.00 2.92 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 *31 I 8.30 3.89 1.92 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 1.44 0.57 1.05 0.00 0.00 32 N 9.05 4.33 0.00 2.90 2.88 0.00 0.00 6.82 6.92 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 33 N 8.78 4.44 0.00 2.87 2.90 0.00 0.00 7.21 7.65 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 34 G 8.37 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.77 4.60 0.00 3.87 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 36 T 7.33 4.49 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 1.19 0.00 0.00 *38 R 8.56 3.68 0.00 1.58 0.96 0.00 3.10 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.48 0.00 39 F 8.58 4.74 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.37 4.10 0.00 3.02 3.38 0.00 6.07 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 41 K 8.26 3.73 0.00 1.59 1.63 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.40 7.81 42 L 7.61 4.17 0.00 1.68 1.72 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.16 4.68 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.19 4.58 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 1.21 0.00 0.00 45 V 8.41 4.04 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 0.78 0.00 0.00 0.92 0.00 0.00 46 E 9.21 4.93 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 2.20 2.22 0.00 47 T 8.67 5.07 4.43 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 1.21 0.00 0.00 48 A 8.84 4.38 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 0.00 0.00 49 E 8.66 4.83 0.00 2.13 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 2.20 2.19 0.00 50 P 0.00 4.34 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 51 E 8.06 4.13 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 2.31 2.39 0.00 52 D 7.69 4.78 0.00 2.70 2.60 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 53 K 8.99 4.76 0.00 1.61 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 54 A 8.59 4.99 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 55 I 8.84 4.66 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 1.33 0.78 0.91 0.00 0.00 56 I 8.26 4.95 1.85 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 1.31 0.65 0.88 0.00 0.00 57 S 9.25 4.89 0.00 3.79 3.86 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 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0.00 5.44 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 0.00 127 H 8.66 4.88 0.00 3.15 3.22 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.29 0.00 2.02 2.00 0.00 3.02 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.19 0.00 129 V 7.98 3.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.14 0.00 0.00 130 L 8.65 4.76 0.00 1.86 1.69 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.48 4.76 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 132 I 8.45 4.18 2.11 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 1.48 0.75 0.97 0.00 0.00 133 E 7.95 4.35 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 2.35 2.39 0.00 134 K 8.78 4.15 0.00 1.69 1.91 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.47 7.81 135 R 7.76 5.25 0.00 1.64 1.78 0.00 3.23 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 136 D 9.05 4.65 0.00 2.77 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 5.55 0.00 2.55 2.45 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 0.00 138 F 9.17 5.21 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 9.19 4.72 0.00 1.68 1.47 0.96 0.77 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 0.00 140 V 8.66 4.91 1.44 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 0.29 0.00 0.00 -0.98 0.00 0.00 141 V 8.00 4.87 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 1.01 0.00 0.00 0.85 0.00 0.00 142 D 8.47 4.89 0.00 2.81 2.63 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 0.00 143 R 8.42 4.73 0.00 1.83 1.84 0.00 3.33 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 1.57 1.56 0.00 144 S 8.83 4.57 0.00 3.86 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 0.00 145 G 8.13 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.78 4.48 0.00 3.99 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 0.00 147 G 8.62 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 0.00 148 N 8.44 4.80 0.00 2.68 2.73 0.00 0.00 6.55 7.79 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 0.00 149 N 8.29 4.95 0.00 2.66 2.75 0.00 0.00 6.99 7.65 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 0.00 150 C 8.39 4.61 0.00 3.05 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 0.00 151 D 9.04 4.95 0.00 2.35 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 0.00 152 E 8.95 5.02 0.00 1.91 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 2.18 2.28 0.00 153 H 9.04 4.73 0.00 2.99 2.56 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.35 4.35 0.00 2.79 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 0.00 155 F 8.76 4.94 0.00 2.95 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 0.00 156 T 9.07 4.33 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 0.00 157 E 8.88 3.95 0.00 1.96 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 2.30 2.33 0.00 158 E 8.10 4.13 0.00 2.09 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 2.27 2.30 0.00 159 Q 7.47 4.01 0.00 2.28 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 *161 L 7.28 4.24 0.00 1.52 1.55 0.75 0.35 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 0.00 162 I 8.46 4.81 1.84 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 1.09 0.83 0.89 0.00 0.00 163 L 9.15 4.60 0.00 1.64 1.61 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.48 5.08 0.00 2.77 2.61 0.00 0.00 6.89 7.71 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 0.00 165 P 0.00 4.28 0.00 2.04 2.08 0.00 3.68 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 1.66 1.85 0.00 166 H 7.43 4.59 0.00 3.31 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.91 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.