NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3056 8.5445 120.2248 56.2189 30.8756 177.3093 7 E 4.0467 8.0678 114.1013 57.2516 30.5297 181.9057 8 R 3.9949 8.8955 116.7672 59.5163 30.5248 181.9686 9 S 4.2948 7.0764 110.2779 60.5362 63.0471 175.1152 10 G 3.9324 8.8590 112.4176 45.5334 0.0000 173.7220 11 V 3.7531 7.3962 113.2805 60.5135 32.2492 175.8239 12 V 4.1157 8.1072 123.5361 60.4415 32.7165 173.1162 13 P 4.8282 0.0000 0.0000 61.8377 33.5964 174.4128 14 C 4.4285 8.3236 121.8759 57.3908 33.3371 173.3740 15 G 4.2020 8.5603 113.8925 46.1447 0.0000 172.3445 16 T 4.5931 8.6354 111.7414 58.4794 71.9182 173.2248 17 P 4.2335 0.0000 0.0000 64.2198 31.5200 177.4299 18 W 4.8846 7.2532 114.3085 55.2816 30.2647 177.0546 19 G 4.6679 6.1701 110.0467 45.9745 0.0000 174.6320 20 Q 5.1134 8.6220 123.5231 54.8519 32.0761 171.6949 21 W 5.8805 8.9405 116.6708 55.4300 32.2781 173.5009 22 Y 5.0837 8.8237 118.5774 56.6945 41.3936 172.8581 23 Q 5.4309 8.7788 116.2830 55.6279 30.8831 173.6740 24 T 4.9276 8.8655 110.0068 59.6926 71.8438 174.4424 25 L 4.2204 8.7307 120.0013 57.6530 41.6901 178.1574 26 E 4.4739 7.6436 113.5385 56.7337 30.8877 175.7148 27 E 4.6668 8.2838 116.7345 54.1978 33.3041 174.2455 28 V 4.8391 7.8356 119.5558 61.1959 34.1904 174.5564 29 F 4.7437 9.4619 125.8733 55.5733 41.8630 174.2936 30 I 5.1218 8.4638 123.2792 59.6204 40.0473 174.6055 31 E 4.7188 9.7747 127.5227 54.7396 31.9565 175.2722 32 V 4.8992 8.3656 125.4163 60.8468 33.0902 175.0882 33 Q 4.2966 9.4661 130.8742 56.3990 29.4559 175.7586 34 V 4.6054 8.1820 117.8504 58.4595 35.9468 173.6420 35 P 4.4314 0.0000 0.0000 62.3457 31.6474 176.2376 36 P 4.3561 0.0000 0.0000 64.9811 31.4300 177.6232 37 G 3.9216 7.9397 105.2678 45.7338 0.0000 174.0046 38 T 4.1288 7.8123 117.6962 63.5618 69.1243 174.0130 39 R 4.7314 8.8499 123.9362 53.8294 33.4497 176.7592 40 A 4.2917 8.7479 123.0413 55.5727 18.4412 180.0630 41 Q 4.1986 8.0824 112.1142 58.6645 28.9745 176.8360 42 D 4.5323 8.4811 118.5485 55.2566 41.3845 175.5435 43 I 4.4488 7.4264 121.0758 60.1060 38.4007 175.3220 44 Q 4.4693 8.7227 125.6697 54.1614 31.6375 174.2690 45 C 4.8424 8.5394 124.2839 57.5305 34.6157 173.0395 46 G 4.0657 8.9916 114.2676 44.5707 0.0000 171.9615 47 L 4.9229 8.6962 126.7002 53.3695 43.0940 176.0125 48 Q 4.6176 8.6882 123.5625 53.4996 31.8059 176.2346 49 S 4.4187 8.5781 111.8296 60.7285 62.5487 175.0716 50 R 4.5572 7.7489 118.6266 55.6452 31.5529 173.8296 51 H 5.2519 7.9872 114.7209 54.7749 33.4438 172.4277 52 V 5.0911 8.3895 115.8197 59.8172 36.3785 174.3300 53 A 5.0249 8.7024 124.1198 50.4566 23.0887 175.0888 54 L 4.8607 9.0905 123.4588 53.3978 45.5919 174.8420 55 A 5.0458 9.0718 127.9533 49.9918 22.8020 174.5934 56 V 4.4028 8.6687 120.8403 61.4387 34.6908 175.9870 57 G 4.0743 9.6836 116.6426 46.6409 0.0000 174.5002 58 G 3.7965 8.3270 105.5943 45.0827 0.0000 173.9751 59 R 4.2789 7.9524 121.7747 54.1710 30.7554 174.9158 60 E 4.2698 8.7139 127.0470 56.4241 30.0016 175.7473 61 I 4.1299 8.3432 127.6161 62.6827 38.5061 176.1207 62 L 4.5397 6.9835 120.4120 53.6059 45.5312 174.5522 63 K 4.6305 7.5878 123.9549 54.8502 35.3792 174.6919 64 G 3.9565 7.9752 114.8743 45.9230 0.0000 170.8773 65 K 4.8157 8.2837 121.6340 55.6932 32.6353 176.9959 66 L 4.1425 8.2188 127.6916 54.3668 42.2528 176.9905 67 F 4.1167 8.6740 123.7223 61.4444 39.3239 174.0351 68 D 4.4294 7.5300 116.8309 53.0228 43.9220 173.7542 69 S 4.9094 8.2826 115.4244 58.0910 63.8671 173.5279 70 T 4.6824 8.3927 110.4534 59.9554 72.8851 173.4390 71 I 4.0201 8.3143 123.1545 60.4685 36.8180 176.2679 72 A 3.9329 8.8048 131.1939 55.4513 18.2170 178.9998 73 D 4.6450 7.9952 111.6259 55.5050 41.1980 176.7860 74 E 4.3588 8.1358 118.2659 56.3027 30.2064 176.8655 75 G 3.7723 7.6156 108.9387 45.5666 0.0000 173.2630 76 T 4.7363 8.1167 111.9808 59.3029 72.0141 173.1359 77 W 5.3294 8.0951 118.4719 55.2466 31.2605 174.6074 78 T 4.6314 8.5644 115.6729 61.9886 72.0101 173.0442 79 L 4.6590 8.7471 126.8314 53.6640 42.9581 175.3566 80 E 4.7705 8.6106 125.4527 54.4113 31.9560 175.4138 81 D 4.6317 8.6016 123.3108 54.2490 41.8526 176.7871 82 R 4.6313 8.1584 125.1872 55.2466 30.2862 173.9743 83 K 4.0254 7.8325 118.2178 56.0658 33.3576 175.4302 *85 V 3.7185 7.9470 119.8701 62.5436 31.9329 174.1233 86 R 4.4271 8.5639 127.3310 54.5682 31.1575 174.7625 87 I 4.2728 8.2419 126.4600 59.5045 38.5651 175.0906 88 V 4.2240 8.3208 125.2164 60.9578 32.9079 174.3947 89 L 4.6915 8.2376 126.8659 53.1904 43.8546 175.9413 90 T 4.3863 8.1546 118.8155 61.6758 69.5102 175.1401 91 K 4.2883 8.4059 126.5476 56.5943 32.9166 177.3555 92 T 3.9947 8.8718 120.3137 66.1101 68.6204 174.7888 93 K 4.5983 8.0203 119.9743 54.9392 33.3968 176.4059 94 R 4.6568 8.4873 123.7893 55.9576 31.1498 175.6460 95 D 4.7232 8.3336 117.3552 52.9892 42.0456 177.7303 96 A 3.6638 8.5921 123.8529 55.3038 18.4174 179.1526 97 A 4.1195 8.0112 117.0890 54.3809 19.1300 177.5023 98 N 4.8050 8.4206 116.2642 52.2656 37.8371 175.6471 99 C 4.4650 7.6891 118.1220 57.8992 32.4903 172.7974 100 W 4.3806 8.9769 128.3143 57.1308 29.2824 176.3397 101 T 4.4160 8.5330 111.8645 61.9633 69.2818 173.9120 102 S 5.0504 7.4671 115.8317 57.0814 65.6636 174.3945 103 L 4.3745 8.8090 126.5230 57.6330 41.6940 177.0562 104 L 4.8483 7.7094 116.9219 52.2695 44.4644 176.8688 105 E 3.8872 8.8517 121.0518 59.2946 29.3068 178.2239 106 S 4.7218 7.5991 111.4440 57.4505 64.6070 172.9484 107 E 4.3033 8.1567 117.9802 56.4527 33.1262 173.8356 108 Y 3.9334 7.8552 118.2398 59.0601 34.8167 169.5652 109 A 4.8954 7.9160 119.8657 50.8081 20.2090 178.5957 110 A 4.4911 8.6447 123.7289 51.1881 19.7507 177.4551 111 D 4.5532 8.6522 120.7451 52.4576 40.8990 175.5488 112 P 4.1279 0.0000 0.0000 65.4981 31.0511 179.1135 113 W 4.1813 8.3311 117.8542 59.6283 28.8086 178.7896 114 V 4.0399 8.0540 118.0455 65.5861 31.1280 177.3788 115 Q 4.1491 8.2137 117.1931 59.2307 28.8229 178.3475 116 D 4.4937 8.0753 118.7670 57.2423 41.0628 178.7095 117 Q 4.2816 8.1572 115.0895 56.7781 28.4153 177.9651 *119 Q 4.2268 7.9954 123.0706 56.2773 31.0236 177.3995 120 R 3.9414 8.1276 116.9201 59.1464 29.8789 179.0313 121 K 3.9352 7.9521 118.9632 59.4229 32.1355 178.8997 122 L 3.9483 7.8370 118.8168 58.1126 41.4981 179.4682 123 T 3.8537 8.3127 116.1153 66.5351 68.3060 176.5129 124 L 3.9319 8.0131 122.2558 57.9946 42.0556 178.7195 125 E 3.8557 8.3847 118.9089 59.5047 29.3841 179.4556 126 R 3.8453 8.2231 118.8121 59.2449 29.9444 178.1213 127 F 3.9963 8.2889 119.8491 61.4859 39.4975 176.8861 128 Q 3.6485 8.1344 117.6833 58.6634 28.2475 178.5419 129 K 3.8969 7.8898 119.6102 59.3026 32.2923 178.0833 130 E 4.2213 8.0898 117.0682 57.0790 31.0698 176.1952 131 N 5.1242 7.5128 116.3440 51.3468 39.0261 173.8541 132 P 4.4736 0.0000 0.0000 64.9726 32.0318 178.4011 133 G 3.6906 8.1300 107.3878 47.6272 0.0000 173.9636 134 F 4.2866 8.1909 118.4118 56.5830 39.8872 174.4413 135 D 4.8862 8.4169 123.5369 53.1662 42.2930 177.0070 136 F 4.7890 8.5355 127.6151 56.2262 39.3974 175.6411 137 S 4.2663 7.5618 119.3650 59.1073 62.7552 174.4003 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 6 E 8.54 4.31 0.00 1.99 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 0.00 2.23 2.33 0.00 7 E 8.07 4.05 0.00 1.97 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 1.94 0.00 8 R 8.90 3.99 0.00 1.73 1.98 0.00 3.24 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.00 9 S 7.08 4.29 0.00 3.85 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 10 G 8.86 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 0.00 0.00 0.00 11 V 7.40 3.75 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 0.53 0.00 0.00 0.43 0.00 0.00 12 V 8.11 4.12 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 0.77 0.00 0.00 0.91 0.00 0.00 13 P 0.00 4.83 0.00 2.12 1.89 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 14 C 8.32 4.43 0.00 2.13 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 15 G 8.56 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 16 T 8.64 4.59 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 0.91 0.00 0.00 17 P 0.00 4.23 0.00 2.01 2.11 0.00 3.05 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 18 W 7.25 4.88 0.00 3.70 3.33 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 19 G 6.17 4.67 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 20 Q 8.62 5.11 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 21 W 8.94 5.88 0.00 3.64 3.29 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 22 Y 8.82 5.08 0.00 2.97 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 23 Q 8.78 5.43 0.00 2.34 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 24 T 8.87 4.93 4.38 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 1.44 0.00 0.00 25 L 8.73 4.22 0.00 1.70 1.81 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.64 4.47 0.00 1.98 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 2.29 2.29 0.00 27 E 8.28 4.67 0.00 1.77 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 0.00 0.00 0.00 2.10 2.19 0.00 28 V 7.84 4.84 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 0.89 0.00 0.00 0.95 0.00 0.00 29 F 9.46 4.74 0.00 1.53 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 30 I 8.46 5.12 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 1.02 0.00 0.00 31 E 9.77 4.72 0.00 2.11 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 0.00 2.40 2.44 0.00 32 V 8.37 4.90 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 0.64 0.00 0.00 0.52 0.00 0.00 33 Q 9.47 4.30 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.48 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 34 V 8.18 4.61 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 0.83 0.00 0.00 0.95 0.00 0.00 35 P 0.00 4.43 0.00 2.18 1.98 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 36 P 0.00 4.36 0.00 2.05 2.13 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 37 G 7.94 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 38 T 7.81 4.13 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 1.19 0.00 0.00 39 R 8.85 4.73 0.00 1.93 1.82 0.00 3.16 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 40 A 8.75 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.08 4.20 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 42 D 8.48 4.53 0.00 2.79 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 43 I 7.43 4.45 1.33 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 1.29 0.38 -0.28 0.00 0.00 44 Q 8.72 4.47 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 45 C 8.54 4.84 0.00 2.10 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 0.00 0.00 0.00 46 G 8.99 4.07 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 0.00 0.00 0.00 47 L 8.70 4.92 0.00 1.55 1.64 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.69 4.62 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 49 S 8.58 4.42 0.00 3.84 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 50 R 7.75 4.56 0.00 1.91 1.78 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 51 H 7.99 5.25 0.00 3.18 3.18 0.00 5.67 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 52 V 8.39 5.09 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 0.61 0.00 0.00 0.85 0.00 0.00 53 A 8.70 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 9.09 4.86 0.00 1.42 1.16 0.56 0.41 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 55 A 9.07 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.67 4.40 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 0.91 0.00 0.00 0.79 0.00 0.00 57 G 9.68 4.07 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 0.00 0.00 0.00 58 G 8.33 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 59 R 7.95 4.28 0.00 1.78 1.94 0.00 3.09 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 60 E 8.71 4.27 0.00 1.93 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 2.23 2.26 0.00 61 I 8.34 4.13 1.57 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.54 0.00 0.00 62 L 6.98 4.54 0.00 1.06 0.89 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.59 4.63 0.00 1.69 1.58 0.00 2.13 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.40 7.81 64 G 7.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.28 4.82 0.00 1.81 1.72 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.53 7.81 66 L 8.22 4.14 0.00 1.72 1.64 0.93 0.77 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 67 F 8.67 4.12 0.00 2.85 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 68 D 7.53 4.43 0.00 2.61 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 69 S 8.28 4.91 0.00 3.90 3.81 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 70 T 8.39 4.68 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 1.18 0.00 0.00 71 I 8.31 4.02 1.85 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 1.27 0.55 0.90 0.00 0.00 72 A 8.80 3.93 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 73 D 8.00 4.65 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.14 4.36 0.00 2.06 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 2.27 2.22 0.00 75 G 7.62 3.77 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 0.00 0.00 0.00 76 T 8.12 4.74 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 77 W 8.10 5.33 0.00 3.34 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 78 T 8.56 4.63 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 1.28 0.00 0.00 79 L 8.75 4.66 0.00 1.88 1.75 0.97 1.04 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 80 E 8.61 4.77 0.00 2.03 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 2.29 2.31 0.00 81 D 8.60 4.63 0.00 2.69 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 82 R 8.16 4.63 0.00 1.72 1.83 0.00 3.34 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 83 K 7.83 4.03 0.00 1.77 1.73 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.44 7.81 *85 V 7.95 3.72 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 0.81 0.00 0.00 0.93 0.00 0.00 86 R 8.56 4.43 0.00 1.76 1.78 0.00 3.24 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 87 I 8.24 4.27 1.84 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 1.29 0.71 0.90 0.00 0.00 88 V 8.32 4.22 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 0.78 0.00 0.00 0.89 0.00 0.00 89 L 8.24 4.69 0.00 1.53 1.53 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.15 4.39 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 1.20 0.00 0.00 91 K 8.41 4.29 0.00 1.76 2.00 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.24 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.29 1.24 7.81 92 T 8.87 3.99 4.30 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 1.24 0.00 0.00 93 K 8.02 4.60 0.00 1.80 1.97 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.46 7.81 94 R 8.49 4.66 0.00 1.76 1.88 0.00 3.19 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 95 D 8.33 4.72 0.00 2.87 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 96 A 8.59 3.66 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 97 A 8.01 4.12 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 98 N 8.42 4.80 0.00 2.89 2.97 0.00 0.00 6.88 6.73 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 99 C 7.69 4.47 0.00 3.14 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 0.00 100 W 8.98 4.38 0.00 3.22 3.30 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 0.00 101 T 8.53 4.42 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 1.26 0.00 0.00 102 S 7.47 5.05 0.00 3.84 3.77 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 0.00 103 L 8.81 4.37 0.00 1.79 1.93 1.08 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.71 4.85 0.00 1.93 1.57 1.15 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.85 3.89 0.00 1.85 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 2.24 2.27 0.00 106 S 7.60 4.72 0.00 3.78 3.73 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 E 8.16 4.30 0.00 1.74 1.38 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 1.47 1.74 0.00 108 Y 7.86 3.93 0.00 3.28 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 0.00 109 A 7.92 4.90 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 0.00 110 A 8.64 4.49 1.26 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 0.00 0.00 111 D 8.65 4.55 0.00 2.87 2.87 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 0.00 112 P 0.00 4.13 0.00 1.71 1.87 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 113 W 8.33 4.18 0.00 3.61 3.29 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 0.00 114 V 8.05 4.04 2.24 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 1.22 0.00 0.00 1.08 0.00 0.00 115 Q 8.21 4.15 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 116 D 8.08 4.49 0.00 2.77 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 0.00 117 Q 8.16 4.28 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.17 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 *119 Q 8.00 4.23 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 120 R 8.13 3.94 0.00 2.05 1.95 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 121 K 7.95 3.94 0.00 1.87 1.76 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.47 7.81 122 L 7.84 3.95 0.00 1.87 1.69 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.31 3.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 124 L 8.01 3.93 0.00 1.84 1.82 0.86 0.73 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 0.00 125 E 8.38 3.86 0.00 2.25 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 2.27 2.26 0.00 126 R 8.22 3.85 0.00 1.86 2.15 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 127 F 8.29 4.00 0.00 3.09 3.10 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 0.00 128 Q 8.13 3.65 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 129 K 7.89 3.90 0.00 1.81 1.94 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 130 E 8.09 4.22 0.00 1.85 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 2.28 2.42 0.00 131 N 7.51 5.12 0.00 2.50 2.68 0.00 0.00 6.58 8.36 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 0.00 132 P 0.00 4.47 0.00 2.20 2.20 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 133 G 8.13 3.69 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 0.00 0.00 0.00 0.00 134 F 8.19 4.29 0.00 3.19 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.42 4.89 0.00 2.61 2.53 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 0.00 136 F 8.54 4.79 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.56 4.27 0.00 3.91 3.70 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 * Residues marked with a * may have inaccurate shift predictions.