NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.3059 8.1614 122.0487 55.9121 36.1441 176.0473 9 G 4.1111 8.6293 104.5646 44.1406 0.0000 169.6629 10 K 4.8094 9.4825 124.1535 54.2659 36.1067 174.1576 11 T 4.3835 8.6538 118.3226 61.9449 68.3492 174.6940 12 A 4.1030 8.7275 130.2305 55.6617 18.3094 179.6904 13 N 4.3428 8.0683 113.9612 56.0245 38.7859 176.5347 14 E 4.0863 8.4801 119.9034 58.6653 29.5362 177.3881 15 S 4.7846 7.7110 111.1787 57.7378 63.9361 174.7544 16 R 4.3998 7.7039 121.7217 57.1240 30.8735 176.0527 17 V 4.4764 8.8200 125.1024 61.2951 34.7442 173.9048 18 F 5.4075 8.9638 125.9889 55.9347 41.8419 175.4424 19 K 4.5251 9.1246 123.4836 56.0404 35.4394 174.1408 20 T 5.2122 8.7873 122.5269 60.5323 69.8050 172.9877 21 S 4.9776 9.8940 124.3721 56.7157 67.6512 173.3450 22 R 4.2824 8.6018 120.8972 55.4441 30.8645 176.1419 23 V 4.1227 7.6255 121.6400 61.1103 31.4151 175.3147 24 F 4.4310 8.5542 126.7188 55.9446 39.9767 175.1240 25 P 4.3016 0.0000 0.0000 66.4358 31.1201 178.3316 26 T 3.9167 8.3228 114.2636 66.7394 68.6186 174.4308 27 D 4.9728 8.3059 118.1047 54.6393 41.2494 175.7313 28 L 4.6641 7.9154 121.0041 53.2703 43.0318 176.7958 29 N 4.2728 8.0845 121.3122 51.4941 39.4859 175.1175 30 D 4.3022 8.5024 116.3363 56.6300 39.4891 176.5138 31 H 4.5709 7.9923 115.0226 54.7548 29.6297 174.4097 32 N 4.0782 7.7960 116.6248 54.2446 37.4425 173.0772 33 T 4.9528 6.8349 111.9513 60.4129 71.5657 173.6841 34 L 4.5609 8.1846 127.2497 54.9231 42.5366 177.1452 35 F 4.1526 8.6786 120.1869 57.1611 39.8649 177.1226 36 G 3.1841 8.9350 109.2832 47.6939 0.0000 176.0411 37 G 3.7839 8.1939 107.4523 47.5896 0.0000 175.1252 38 K 3.9068 7.8963 122.2231 59.4996 31.9519 178.7895 39 I 3.9776 7.7650 117.7821 64.4516 37.2335 177.9238 40 L 4.2308 7.9570 118.4686 57.9289 41.5856 179.0481 41 S 4.2902 8.5023 112.0293 61.3161 62.3478 176.6993 42 E 3.9175 7.7724 119.7127 56.2246 29.5901 176.3560 *44 D 4.5154 7.9685 114.4806 53.5686 42.6999 176.9551 *46 V 3.9907 7.6975 118.8741 61.0390 33.3957 177.4197 47 A 3.9496 7.8457 122.1764 54.7669 18.3328 179.5307 48 S 2.7900 8.4143 113.2094 61.0119 62.8922 176.9536 49 I 3.6435 7.4340 123.1726 64.2169 36.9857 178.2252 50 S 4.1451 7.6248 115.8347 61.4179 62.6109 176.4618 51 A 3.8879 7.8670 124.0115 55.3252 18.0498 179.9154 52 S 4.2139 7.8464 112.3743 61.2961 62.9431 176.8891 53 R 3.8864 7.9217 121.4232 59.2397 29.8520 178.2251 54 H 4.2882 8.0733 117.1952 59.3798 30.1161 177.2315 55 S 4.3045 8.2081 114.1185 58.8326 63.1335 174.4546 56 R 3.9481 8.3399 119.6949 56.7649 28.0400 175.5316 57 K 4.6193 7.7387 115.2847 54.2326 35.8359 175.7314 58 E 4.3186 8.5224 119.5643 56.3889 30.0837 176.2716 59 C 5.2335 8.6197 122.2629 58.3926 30.8158 173.3429 60 V 4.6198 8.3649 118.9525 61.4637 34.9982 174.1235 61 T 3.7631 8.5338 121.0756 61.2629 67.2222 174.0094 62 A 4.2947 8.8057 132.1254 54.4540 19.5484 176.9277 63 S 4.0520 7.2226 111.0632 58.0325 67.7840 173.6589 *65 D 4.5347 8.7300 119.3797 53.3191 42.0924 176.3386 66 W 4.4271 8.1303 119.0855 56.7109 28.5888 175.5651 67 V 4.3266 8.2508 118.7968 61.1312 33.5463 174.2582 68 D 4.6971 8.4769 126.5543 52.6164 42.4030 176.7721 69 F 4.6657 8.2902 123.6509 55.7280 37.8828 175.1405 70 L 4.0947 8.4476 125.3189 57.4865 41.7790 177.5736 71 H 5.0026 7.7447 111.9751 53.2548 32.8908 170.8673 72 P 4.6546 0.0000 0.0000 62.5002 32.9710 175.7686 73 V 4.4089 8.0178 119.7215 61.6631 33.9294 175.2240 74 R 5.0302 9.4062 128.4524 53.6262 32.5006 177.7442 75 S 4.0855 8.5225 114.0702 61.4925 63.1563 175.6537 76 S 4.0448 7.9625 113.9197 59.3584 63.1624 173.2228 77 D 5.2275 7.4571 121.5669 53.5154 43.2927 175.0073 78 C 4.6847 8.3699 118.5591 58.4482 35.0897 173.2740 79 V 4.9870 8.5499 119.2689 59.6184 34.3518 174.9354 80 S 5.0938 8.5505 117.8720 56.9217 66.6472 172.3856 81 Y 5.1984 9.7734 120.8178 56.3099 41.3847 174.3008 82 E 5.1812 9.0623 122.7332 54.6644 33.5183 174.3154 83 S 5.3286 8.8250 119.2624 57.4230 66.8733 172.8263 84 F 5.2824 7.5317 114.8229 55.8329 40.9600 173.0317 85 V 4.3820 8.6036 121.4138 62.9377 31.3765 175.8417 86 I 4.6546 9.0469 119.8000 60.6094 39.6511 175.5898 87 W 4.9985 8.3583 128.9168 55.3407 33.3214 174.1525 88 T 4.5440 7.2158 113.4208 59.6720 71.9094 174.4973 89 G 3.7104 8.2090 114.6833 45.5311 0.0000 174.6859 90 R 4.1497 8.6123 118.7052 58.1180 31.1095 178.3657 91 T 4.7078 8.1084 111.6973 62.2140 71.3050 173.2246 92 S 5.8649 7.5182 115.7585 55.7084 65.6072 171.5056 *94 E 4.6753 8.4651 118.0943 57.0157 31.2060 174.9017 95 V 4.7370 9.1323 125.1942 61.1544 33.7875 174.4677 96 F 4.3249 8.7547 130.9181 57.4875 40.9588 174.3146 97 V 4.4394 7.0918 124.5999 60.6448 34.9862 173.8177 98 K 4.5312 8.8901 128.7046 54.3578 35.2269 174.5646 99 V 4.5630 8.7527 127.3606 61.0351 34.1944 174.1177 100 V 4.8638 8.5087 128.2786 61.0710 34.2689 174.3516 101 S 5.2469 8.7666 122.5708 57.0362 65.6278 172.7275 102 E 5.0914 9.1546 122.7017 54.4615 33.0933 173.8593 103 Y 4.1567 8.8795 128.9165 57.6394 39.2866 176.6814 104 L 3.9424 7.8525 127.0138 57.3071 41.7220 178.3086 105 I 4.2386 7.5001 117.9693 62.8220 38.5601 177.1894 106 S 4.2795 9.1323 115.3412 61.1733 63.0063 175.5918 107 G 3.9827 8.4140 106.6404 44.6161 0.0000 172.9635 108 E 3.9562 8.2341 119.4007 57.3582 30.2675 176.7102 109 K 5.3176 8.5286 123.5805 54.1702 35.1748 175.9742 110 R 4.3886 7.7661 113.7488 55.7832 31.9442 173.6486 111 I 4.3365 8.6338 122.5486 60.8040 38.5186 175.2748 112 A 4.4894 8.9404 130.4406 53.8547 19.8263 176.4575 113 A 4.6598 7.6049 114.6361 51.9697 22.2332 175.2784 114 T 4.7975 8.0053 108.6753 60.4733 72.5454 172.1844 115 S 4.5630 7.0739 115.6874 58.3070 67.0605 174.8017 116 F 5.1617 8.8664 119.5079 55.4642 41.9066 175.0410 117 V 4.4844 9.1735 123.3456 61.3975 34.3926 174.1216 118 T 4.9200 8.5077 124.4031 62.1660 70.4213 173.7644 119 F 5.2395 8.9398 123.8465 55.5682 43.3147 174.0994 120 V 4.7400 8.7423 121.1206 60.9223 34.3616 174.4638 121 A 4.5415 8.7179 130.0342 51.8767 19.3514 176.1477 122 L 5.3536 8.3430 121.8834 52.7763 45.2793 176.9091 123 S 4.5332 8.8128 116.6878 57.1045 64.2017 175.4250 124 K 4.0018 8.6251 120.5676 58.6125 31.8779 177.2061 125 E 4.6704 7.7041 116.6412 56.1124 29.8837 175.1749 126 N 4.2037 8.1906 112.4119 55.7231 37.0223 173.9604 127 N 5.0246 7.8238 114.8056 50.6362 40.9683 173.2100 128 P 4.7896 0.0000 0.0000 63.2625 32.5224 175.8678 129 V 4.5886 8.6503 122.2000 60.0089 34.8645 172.9099 130 P 4.7543 0.0000 0.0000 63.7401 31.4769 175.4099 131 V 4.5430 8.3456 120.5358 60.2690 34.5852 173.3127 132 P 4.4098 0.0000 0.0000 63.1750 32.2503 175.2681 133 R 4.4621 8.1180 119.9570 55.3650 31.9397 175.2742 134 V 4.7668 7.7556 123.8467 61.7306 33.6610 175.3821 135 I 4.4535 8.5254 125.5825 58.4753 40.7485 172.7844 136 P 4.5568 0.0000 0.0000 62.8195 31.2562 175.4616 137 D 4.5562 8.7663 124.5244 56.2154 42.3589 177.8927 138 T 4.0035 7.6816 114.8421 63.9174 70.6243 174.8606 139 E 3.9707 8.5838 122.5690 59.3252 29.6612 178.6150 140 E 3.9270 8.0876 119.0248 59.4006 29.7498 178.5426 141 E 3.9955 8.0102 118.0868 59.2642 29.5130 179.3633 142 K 4.0560 7.9053 118.2951 59.3102 32.1087 179.3272 143 E 3.9656 8.2329 118.9287 59.6787 29.3731 179.6103 144 S 4.1557 8.3625 115.4055 61.8135 62.7461 176.3140 145 H 4.3129 8.5155 121.2340 58.9191 29.6788 177.3909 146 R 3.8573 8.0021 120.7709 59.5014 30.0132 178.5570 147 I 3.6088 7.8625 119.3575 64.3371 37.0990 178.2801 148 A 3.2636 8.2001 121.8424 54.7763 17.9102 179.7873 149 V 3.2380 7.4022 116.0378 66.1752 31.7591 178.0525 150 L 4.0101 7.5703 118.1438 57.6950 40.9445 179.6782 151 R 3.6118 7.6863 117.7744 58.5428 29.6786 178.3119 152 A 3.3008 7.1164 118.7750 53.3804 18.3158 178.8302 153 E 4.0858 7.1832 116.7919 58.9717 30.2343 178.4460 154 Q 4.0992 7.6694 116.1402 57.1186 28.8450 177.8013 155 R 3.6775 7.0761 120.6880 59.9797 29.9746 177.9617 156 H 4.1883 7.6932 115.0648 58.7359 28.7078 177.7154 157 I 3.6821 7.6495 121.0705 64.5480 37.0354 178.0066 158 R 3.8764 7.9565 118.7399 59.4563 29.8964 178.5509 159 K 3.7493 8.2458 118.7287 59.7339 32.1439 178.3323 160 A 3.9901 7.9978 120.5387 55.5160 18.3420 179.5254 161 E 3.9697 8.5302 117.2957 59.5058 29.4566 179.8751 162 S 4.1223 8.3971 115.7220 61.6563 63.0820 176.9379 163 K 4.0376 8.4426 121.4730 58.9777 31.5950 179.4914 164 K 3.9161 7.9854 120.1984 59.5992 31.9953 179.0976 165 V 3.5872 7.6705 116.8508 66.1209 31.5955 177.1984 166 A 3.9719 8.1213 120.8575 55.1771 17.9582 179.2375 167 T 3.8081 7.8112 107.3405 65.1229 68.8076 175.7255 168 L 4.1163 7.6520 120.3273 55.5895 42.3753 176.5814 169 L 4.5483 7.6431 118.4499 54.2215 43.2430 175.9445 170 T 4.6816 8.0439 117.0512 62.4466 70.1762 175.2500 171 F 4.2722 9.0602 121.9344 57.8128 39.1328 175.8928 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 8 K 8.16 4.31 0.00 1.88 1.29 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.50 7.81 9 G 8.63 4.11 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 0.00 0.00 0.00 10 K 9.48 4.81 0.00 1.53 1.65 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.25 7.81 11 T 8.65 4.38 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 1.25 0.00 0.00 12 A 8.73 4.10 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 13 N 8.07 4.34 0.00 2.69 2.80 0.00 0.00 7.20 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 14 E 8.48 4.09 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 2.38 2.44 0.00 15 S 7.71 4.78 0.00 4.06 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 16 R 7.70 4.40 0.00 1.80 1.91 0.00 3.26 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.00 17 V 8.82 4.48 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 0.93 0.00 0.00 0.93 0.00 0.00 18 F 8.96 5.41 0.00 2.98 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 19 K 9.12 4.53 0.00 1.91 1.81 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.47 7.81 20 T 8.79 5.21 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 1.27 0.00 0.00 21 S 9.89 4.98 0.00 3.84 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 22 R 8.60 4.28 0.00 1.59 0.96 0.00 3.07 0.00 0.00 2.75 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.41 0.00 23 V 7.63 4.12 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 0.87 0.00 0.00 0.97 0.00 0.00 24 F 8.55 4.43 0.00 3.23 3.01 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 25 P 0.00 4.30 0.00 2.26 2.37 0.00 3.96 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 26 T 8.32 3.92 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 1.24 0.00 0.00 27 D 8.31 4.97 0.00 2.90 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 28 L 7.92 4.66 0.00 1.71 1.49 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.08 4.27 0.00 2.49 1.64 0.00 0.00 6.49 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.50 4.30 0.00 2.64 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.99 4.57 0.00 3.07 3.31 0.00 6.05 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 32 N 7.80 4.08 0.00 2.87 2.77 0.00 0.00 6.62 8.42 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 33 T 6.83 4.95 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 1.12 0.00 0.00 34 L 8.18 4.56 0.00 1.53 1.58 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.68 4.15 0.00 3.09 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 36 G 8.93 3.18 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 0.00 0.00 0.00 0.00 37 G 8.19 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.90 3.91 0.00 1.96 2.08 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.34 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.68 7.81 39 I 7.76 3.98 2.30 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.74 1.25 0.00 0.00 40 L 7.96 4.23 0.00 1.86 1.81 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.50 4.29 0.00 3.82 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 42 E 7.77 3.92 0.00 2.01 1.12 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 1.47 1.51 0.00 *44 D 7.97 4.52 0.00 2.83 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 *46 V 7.70 3.99 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 0.74 0.00 0.00 0.91 0.00 0.00 47 A 7.85 3.95 1.48 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 0.00 0.00 0.00 48 S 8.41 2.79 0.00 3.93 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 49 I 7.43 3.64 1.99 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 1.59 0.48 0.88 0.00 0.00 50 S 7.62 4.15 0.00 3.88 3.88 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 51 A 7.87 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.85 4.21 0.00 4.05 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 53 R 7.92 3.89 0.00 2.02 2.04 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 54 H 8.07 4.29 0.00 3.15 3.46 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.21 4.30 0.00 4.09 4.03 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 0.00 0.00 0.00 56 R 8.34 3.95 0.00 1.91 2.03 0.00 3.25 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 57 K 7.74 4.62 0.00 1.73 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.52 7.81 58 E 8.52 4.32 0.00 1.94 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 0.00 2.39 2.35 0.00 59 C 8.62 5.23 0.00 2.83 3.03 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 0.00 0.00 0.00 60 V 8.36 4.62 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 1.03 0.00 0.00 0.97 0.00 0.00 61 T 8.53 3.76 3.46 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 1.20 0.00 0.00 62 A 8.81 4.29 1.19 0.00 0.00 0.00 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0.00 80 S 8.55 5.09 0.00 3.93 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 81 Y 9.77 5.20 0.00 2.89 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 82 E 9.06 5.18 0.00 2.02 1.74 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 2.22 1.51 0.00 83 S 8.82 5.33 0.00 3.82 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 84 F 7.53 5.28 0.00 3.24 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 85 V 8.60 4.38 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 0.71 0.00 0.00 0.93 0.00 0.00 86 I 9.05 4.65 2.17 0.00 0.00 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 1.40 1.34 1.29 0.00 0.00 87 W 8.36 5.00 0.00 3.23 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 88 T 7.22 4.54 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 1.15 0.00 0.00 89 G 8.21 3.71 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 0.00 0.00 0.00 90 R 8.61 4.15 0.00 1.83 1.92 0.00 3.13 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 91 T 8.11 4.71 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 1.26 0.00 0.00 92 S 7.52 5.86 0.00 4.22 4.11 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 *94 E 8.47 4.68 0.00 2.33 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 0.00 2.33 2.38 0.00 95 V 9.13 4.74 2.23 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 0.73 0.00 0.00 1.02 0.00 0.00 96 F 8.75 4.32 0.00 2.78 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 0.00 0.00 0.00 97 V 7.09 4.44 1.74 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 0.00 106 S 9.13 4.28 0.00 3.98 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 0.00 0.00 0.00 107 G 8.41 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 0.00 0.00 0.00 108 E 8.23 3.96 0.00 1.92 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 2.36 2.21 0.00 109 K 8.53 5.32 0.00 1.64 1.74 0.00 1.86 0.00 0.00 2.61 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 110 R 7.77 4.39 0.00 1.76 1.92 0.00 2.56 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 111 I 8.63 4.34 1.91 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 1.41 0.75 0.96 0.00 0.00 112 A 8.94 4.49 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 0.00 113 A 7.60 4.66 1.18 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 0.00 0.00 0.00 114 T 8.01 4.80 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 1.26 0.00 0.00 115 S 7.07 4.56 0.00 3.79 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 0.00 116 F 8.87 5.16 0.00 2.75 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 0.00 117 V 9.17 4.48 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 0.58 0.00 0.00 0.92 0.00 0.00 118 T 8.51 4.92 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 1.24 0.00 0.00 119 F 8.94 5.24 0.00 3.02 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 0.00 120 V 8.74 4.74 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 1.01 0.00 0.00 0.98 0.00 0.00 121 A 8.72 4.54 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 0.00 122 L 8.34 5.35 0.00 1.56 1.57 0.95 0.82 0.00 0.00 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0.00 0.00 139 E 8.58 3.97 0.00 2.03 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 0.00 140 E 8.09 3.93 0.00 2.07 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 0.00 2.37 2.41 0.00 141 E 8.01 4.00 0.00 2.14 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 2.14 2.28 0.00 142 K 7.91 4.06 0.00 2.03 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.72 7.81 143 E 8.23 3.97 0.00 2.21 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 2.34 2.51 0.00 144 S 8.36 4.16 0.00 3.93 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 0.00 145 H 8.52 4.31 0.00 3.38 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.00 3.86 0.00 2.16 1.95 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 147 I 7.86 3.61 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.93 0.83 0.00 0.00 148 A 8.20 3.26 1.43 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 0.00 0.00 0.00 149 V 7.40 3.24 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 0.89 0.00 0.00 1.03 0.00 0.00 150 L 7.57 4.01 0.00 1.75 1.58 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.69 3.61 0.00 1.28 1.38 0.00 2.89 0.00 0.00 2.88 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.00 152 A 7.12 3.30 0.15 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 0.00 153 E 7.18 4.09 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 2.43 0.00 154 Q 7.67 4.10 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 155 R 7.08 3.68 0.00 1.46 1.77 0.00 2.75 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 156 H 7.69 4.19 0.00 3.19 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.65 3.68 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 1.69 0.89 0.92 0.00 0.00 158 R 7.96 3.88 0.00 1.94 1.96 0.00 3.37 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 159 K 8.25 3.75 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 160 A 8.00 3.99 1.43 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 0.00 0.00 0.00 161 E 8.53 3.97 0.00 2.13 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 2.34 2.54 0.00 162 S 8.40 4.12 0.00 4.02 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 0.00 163 K 8.44 4.04 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 164 K 7.99 3.92 0.00 1.94 1.98 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.59 7.81 165 V 7.67 3.59 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 0.84 0.00 0.00 0.96 0.00 0.00 166 A 8.12 3.97 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 0.00 167 T 7.81 3.81 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 1.27 0.00 0.00 168 L 7.65 4.12 0.00 1.64 2.01 0.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.64 4.55 0.00 1.70 1.41 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.04 4.68 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 1.29 0.00 0.00 171 F 9.06 4.27 0.00 2.94 3.01 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 * Residues marked with a * may have inaccurate shift predictions.