NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3533 8.3344 115.2881 58.1341 63.3045 172.6714 3 L 4.5021 7.6365 127.7063 53.7047 44.8059 170.9758 4 L 4.7566 8.8492 129.0125 53.2481 45.1692 174.3418 5 I 5.0527 8.3668 126.4147 59.6208 39.6046 174.7506 6 R 4.8373 8.8676 126.2929 54.4239 34.1074 173.7244 7 E 4.4454 8.9233 123.8948 56.0103 30.4784 176.0681 8 L 4.4180 8.5095 128.3132 55.0777 43.0191 175.9126 9 E 4.8573 9.2494 124.3465 54.1667 33.5699 177.0251 10 T 3.9039 8.5915 110.4875 65.2046 68.5832 176.0264 11 N 4.5509 8.1067 117.2138 55.0009 37.4651 175.5204 12 D 4.5966 8.1590 118.5653 56.4108 41.5740 178.6679 13 L 3.9485 7.9183 118.7488 57.9557 41.8906 177.9814 14 D 4.5727 8.2241 116.4723 56.1662 39.4310 176.9638 15 N 4.9613 7.3614 115.4097 51.1721 38.4318 173.1477 16 F 4.4769 7.8945 121.1264 55.7521 40.9853 173.5533 17 P 4.4505 0.0000 0.0000 62.4278 31.7891 176.4990 18 E 4.4161 8.4187 118.0923 55.2077 28.4761 175.8352 19 I 3.9931 8.1485 126.6478 61.6065 38.2216 175.8762 20 D 4.6956 9.5460 125.8470 53.3230 41.2974 175.3619 21 D 5.2288 8.5182 126.2212 53.1994 40.8396 176.4233 22 S 4.8655 8.4858 113.9624 59.1328 64.1634 173.1119 23 F 5.0146 8.6936 115.6762 55.6429 41.7457 172.9392 24 I 4.5204 8.3600 120.5933 60.1834 38.5326 175.3661 25 V 4.2088 8.4159 128.0441 61.4204 32.5941 175.3392 26 N 5.2322 8.4683 122.6920 52.0678 39.2591 173.0111 27 A 4.9268 7.6510 120.5632 52.0485 22.8989 175.1248 28 R 4.8150 8.8561 114.3798 55.3650 33.1743 175.7435 29 L 4.8971 8.1332 121.0066 53.2157 44.2525 175.9026 *31 L 4.5796 8.3283 118.5323 56.0234 43.2096 176.0956 32 S 4.6299 8.5597 114.2957 58.0440 66.8350 172.8091 33 L 4.5772 8.0475 120.1902 53.8468 44.6470 174.4172 *39 R 4.1049 8.1315 121.6320 55.7634 31.1963 174.9568 40 I 4.1963 8.1173 119.7601 61.5046 37.7193 175.6460 41 E 4.9336 8.6339 125.9528 54.9765 33.6683 173.8796 42 Y 5.0887 7.5296 117.4653 56.9538 40.3949 173.7598 43 T 4.7222 8.6279 108.7574 59.7410 71.6804 172.5685 44 V 4.7751 8.3949 122.9115 61.4985 33.1412 174.3240 45 E 4.8493 9.0930 129.3745 54.0849 32.0203 175.0126 46 D 5.0776 8.8112 126.4049 53.8435 40.5273 175.5683 47 V 4.6518 8.2568 112.2260 58.9159 36.4064 173.3672 48 P 4.3463 0.0000 0.0000 63.0894 31.5038 176.5717 49 S 5.1593 9.0229 119.9477 58.3671 63.3312 172.3898 50 Y 4.8741 7.9583 122.3910 56.4269 41.0719 172.7970 51 E 5.0402 8.6542 119.3243 54.9288 32.2689 175.4198 52 K 4.4687 8.0531 119.3875 56.0230 36.3889 174.2323 53 S 4.8332 8.3334 116.2224 57.3299 63.2802 173.3350 54 Y 4.3683 8.6623 127.9838 60.7622 38.8645 176.0306 55 L 3.9153 8.5749 121.6160 54.6048 41.9422 177.5438 *59 N 4.5387 8.3606 122.1148 53.4147 38.9581 173.9160 60 E 4.2230 7.9406 119.9064 55.5670 31.0558 176.4973 61 E 4.4038 8.2774 121.3119 54.1254 29.7367 175.2681 62 L 4.0199 8.2870 126.8864 54.4869 42.2247 177.0936 63 V 3.9785 8.1996 123.5437 61.0549 32.3374 175.7634 64 Y 4.4719 7.9173 126.5013 60.6771 38.1006 178.3327 65 N 4.4807 8.2040 117.1182 55.5044 37.6188 176.2392 66 E 4.2214 7.9571 116.7546 57.6399 29.5987 176.6238 67 Y 4.4323 7.7863 115.4473 57.5676 38.7527 175.5413 68 I 4.0205 7.5208 122.2982 61.5147 38.3593 175.5227 69 N 4.1683 8.7142 123.8198 55.0782 37.0773 173.4450 70 K 4.7739 7.6136 115.3206 53.9120 35.7811 175.4098 71 P 4.4803 0.0000 0.0000 65.6202 31.8706 176.9186 72 N 5.3178 8.1944 114.1058 52.4464 39.8815 174.1499 73 Q 5.1535 8.0575 115.4419 55.6601 31.6473 173.1022 74 I 4.4712 8.3545 119.3133 60.4968 42.3205 172.8544 75 I 4.9127 7.7531 125.2054 59.6007 40.8939 173.9832 76 Y 5.3175 8.8547 124.1216 56.1091 41.1046 174.7872 77 I 5.1421 9.3251 116.2873 59.1275 41.2200 173.9501 78 A 5.2541 9.0122 125.7199 50.2322 21.8043 175.3721 79 L 5.1056 8.9314 122.4356 52.7262 45.1204 175.4889 80 L 4.8189 8.1694 124.7248 54.0056 45.6882 175.8962 81 H 4.1072 9.8046 120.4372 56.6487 27.4447 174.3411 82 N 4.2446 8.4142 113.2013 55.1461 37.4673 172.9295 83 Q 4.4723 7.5115 113.5084 53.2890 31.3346 174.6926 84 I 4.0514 8.1378 121.5616 61.7806 37.2917 175.7041 85 I 4.4294 8.3706 118.4925 60.0931 39.1999 174.9180 86 G 4.3418 7.6997 108.8618 46.5788 0.0000 172.0297 87 F 5.3653 8.0513 114.2322 56.2413 41.8889 172.7349 88 I 4.9811 8.9675 119.3242 59.3965 41.6886 173.6040 89 V 4.6289 8.9951 129.4184 61.1656 33.4984 174.2539 90 L 5.5799 8.9379 128.0207 52.9507 45.5305 175.7154 91 K 5.2479 9.0439 120.0140 55.3228 36.6096 174.9555 92 K 4.6860 9.4622 124.6467 56.2516 32.8472 176.3492 93 N 4.8307 9.3203 126.8111 51.8273 40.1143 175.6188 94 W 4.3646 8.7099 118.7510 59.0524 28.0669 176.4760 95 N 4.4349 6.9756 114.4256 52.2759 36.6628 175.5989 96 N 4.5417 8.2219 114.8821 53.9435 37.4900 174.0213 97 Y 4.5723 7.9325 116.0282 56.9875 40.0257 174.8245 98 A 4.8376 8.9046 124.5530 52.3000 20.1630 175.8114 99 Y 4.8897 9.7094 123.4269 55.8214 41.5862 174.6763 100 I 4.4520 7.9887 127.9150 60.6135 36.9653 175.5336 101 E 4.5416 9.3663 128.9365 59.4444 30.1371 177.3835 102 D 4.6676 7.7600 115.7747 53.2762 44.7857 174.2310 103 I 4.8439 7.9309 124.1135 59.6022 41.1165 174.3549 104 T 4.4118 8.1788 124.7109 61.8180 73.1334 172.8740 105 V 4.5807 7.9132 124.7871 60.5720 34.2592 174.4546 106 D 4.5465 9.3673 127.7208 54.7900 41.4992 177.3116 107 K 3.7748 8.4817 126.0968 59.6380 32.2177 177.8262 108 K 3.9583 7.8835 115.6450 57.8460 32.0695 176.8424 109 Y 4.7406 7.7870 117.0094 57.6058 38.1306 176.0358 110 R 4.2511 7.8943 118.6561 56.0672 31.3884 176.2421 111 T 3.3302 8.2797 105.8972 63.1440 67.1081 172.5386 112 L 4.4987 7.6680 116.2073 55.3954 43.0069 177.5701 113 G 3.9996 8.2287 107.7191 45.4370 0.0000 175.6794 114 V 3.6013 7.9577 120.0547 65.8006 31.5786 178.0356 115 G 3.5165 7.9745 104.9768 47.8312 0.0000 175.2507 116 K 4.0578 8.2849 121.8514 59.3339 32.2226 178.9349 117 R 3.9834 8.0854 118.3549 59.0176 29.9493 178.9989 118 L 3.9785 8.0873 119.0425 57.8040 41.5259 179.5458 119 I 3.8433 8.1430 119.6561 64.3704 37.1847 178.2846 120 A 3.9698 8.0913 121.6312 55.1972 18.1554 179.5225 121 Q 3.7250 8.0832 117.8581 59.0859 28.9835 178.0866 122 A 4.2413 8.1187 121.8528 55.3355 18.3469 179.7363 123 K 4.0965 8.4825 117.1302 59.7564 32.0236 179.6114 124 Q 3.8889 7.9200 117.9656 58.6113 28.7547 178.6113 125 W 4.2135 8.5691 129.2292 60.3839 30.5733 177.8743 126 A 3.8276 8.4592 119.8411 55.2309 18.2642 179.4539 127 K 4.0018 8.1907 117.2162 59.5019 31.8288 179.0962 128 E 4.0208 8.1994 119.0178 58.8410 29.4952 178.1246 129 G 3.8934 7.2985 102.7436 42.9123 0.0000 171.0508 130 N 3.8766 7.6711 123.0060 52.3992 36.4511 172.5016 *132 P 4.2317 0.0000 0.0000 61.6534 34.0807 176.1037 133 G 2.4389 5.7917 105.5263 45.8718 0.0000 171.6285 134 I 6.1032 7.5984 119.7390 58.2025 42.0895 174.5751 *136 L 3.5690 8.1470 122.5582 55.6614 42.1111 174.8116 137 E 5.0063 8.2202 118.9451 54.8279 32.0884 174.4582 138 T 4.7642 8.6082 119.6027 61.1400 71.9353 172.2906 139 Q 4.9772 8.7046 123.0277 55.1486 30.0445 177.2926 140 N 4.5268 9.3376 119.7655 54.8485 37.4871 175.9424 141 N 5.0017 8.0295 114.5953 52.5286 38.6717 175.7979 142 N 4.7514 7.8843 120.1721 52.5697 35.6083 174.9449 143 V 3.5524 7.4993 123.6368 65.5554 32.2531 176.6184 144 A 3.8586 7.9071 119.8964 55.2162 18.1999 179.3362 145 A 3.4678 7.7780 119.0656 55.1730 18.3170 179.5667 146 C 3.5605 7.8791 115.1757 62.8749 28.2700 176.5912 147 K 3.9466 8.2631 120.3591 59.2488 31.7157 179.1482 148 F 4.0179 7.9734 120.8952 61.5604 39.2694 176.8537 149 Y 3.6602 7.5359 116.5938 60.7417 37.4299 178.2532 150 E 4.2800 7.9615 119.6102 59.5993 29.4056 179.6370 151 K 4.0183 7.7925 117.0881 59.3086 32.1517 178.3000 152 C 4.3813 7.4027 114.1263 59.9293 28.3289 174.4083 153 G 4.0185 7.9288 109.5314 44.8376 0.0000 173.9650 154 F 4.7998 8.1947 117.9933 57.4738 39.8611 175.2801 155 V 4.9726 9.2780 114.0388 59.6567 36.1231 174.8153 156 I 3.9141 8.2992 123.6619 61.0832 37.0481 176.0894 157 G 3.9523 9.0765 114.2056 46.5462 0.0000 173.0083 158 G 4.4532 7.9303 105.9761 46.2391 0.0000 171.8820 159 F 5.3995 8.2163 114.3119 56.7542 40.9582 173.0279 160 D 4.0686 8.8244 117.2753 53.8699 43.7423 176.0077 161 F 4.9090 9.0539 125.3107 59.0875 39.8534 176.3467 162 L 4.7489 8.1363 119.1820 54.7970 43.2451 178.7393 163 V 3.6259 8.4021 119.2214 64.9484 31.4312 178.0159 164 Y 4.4019 7.9606 117.2305 59.8829 38.1162 177.6498 165 K 4.3375 8.1894 119.5586 58.6611 31.8501 179.1786 166 G 3.5229 7.6734 104.3999 47.0610 0.0000 175.5461 167 L 4.3061 7.8711 120.5822 55.0395 42.3341 177.3613 168 N 4.4988 7.8235 109.8739 53.6743 37.3273 175.9083 *171 S 4.5145 9.2915 118.8672 58.4350 64.3259 172.7508 172 D 4.9284 7.9076 115.4274 52.7982 39.7501 175.9879 173 E 4.3364 7.9635 119.3120 56.5944 30.2668 176.0038 174 V 4.9553 8.8957 121.4316 61.0739 34.8461 174.4700 175 A 4.8104 9.2142 129.9850 51.9053 19.9181 176.1257 176 I 4.7734 8.9532 122.7520 59.5490 40.8087 174.1151 177 Y 4.9912 8.8215 124.7872 56.2028 39.7877 174.7068 178 W 5.3858 8.7892 124.8709 55.2846 31.5277 175.4361 179 Y 5.1799 9.6633 120.5872 56.2974 42.2754 174.1407 180 L 4.6131 9.1611 125.5601 53.5184 44.4256 174.2825 181 H 4.7457 8.6419 126.7993 54.6388 31.0624 174.5280 182 F 4.6364 7.7282 125.2655 57.3262 39.6158 175.4921 183 D 4.5085 8.6916 121.8452 54.6924 40.7814 176.2629 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 S 8.33 4.35 0.00 3.84 3.85 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 3 L 7.64 4.50 0.00 1.70 1.47 0.95 0.64 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 4 L 8.85 4.76 0.00 1.79 1.44 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.37 5.05 1.82 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 1.21 0.77 0.83 0.00 0.00 6 R 8.87 4.84 0.00 1.89 1.74 0.00 3.12 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 7 E 8.92 4.45 0.00 2.08 1.88 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 2.21 2.03 0.00 8 L 8.51 4.42 0.00 1.67 1.47 1.04 0.72 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 9 E 9.25 4.86 0.00 2.04 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 2.22 2.21 0.00 10 T 8.59 3.90 4.26 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 1.23 0.00 0.00 11 N 8.11 4.55 0.00 2.75 2.93 0.00 0.00 6.90 8.06 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 12 D 8.16 4.60 0.00 2.91 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 13 L 7.92 3.95 0.00 1.80 1.77 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.22 4.57 0.00 2.78 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 15 N 7.36 4.96 0.00 2.77 2.75 0.00 0.00 7.20 6.90 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 16 F 7.89 4.48 0.00 3.26 2.90 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 17 P 0.00 4.45 0.00 2.18 1.98 0.00 2.96 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 1.74 1.78 0.00 18 E 8.42 4.42 0.00 2.18 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 2.31 2.38 0.00 19 I 8.15 3.99 2.20 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 1.03 0.00 0.00 20 D 9.55 4.70 0.00 2.73 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 0.00 21 D 8.52 5.23 0.00 2.85 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 22 S 8.49 4.87 0.00 3.85 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 23 F 8.69 5.01 0.00 2.92 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 24 I 8.36 4.52 1.84 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 1.16 0.55 0.83 0.00 0.00 25 V 8.42 4.21 0.77 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 0.92 0.00 0.00 0.60 0.00 0.00 26 N 8.47 5.23 0.00 2.81 2.91 0.00 0.00 5.92 7.63 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 27 A 7.65 4.93 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 28 R 8.86 4.81 0.00 1.87 2.02 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 1.67 1.65 0.00 29 L 8.13 4.90 0.00 1.46 1.46 0.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *31 L 8.33 4.58 0.00 1.40 1.40 0.75 0.78 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 32 S 8.56 4.63 0.00 3.87 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 33 L 8.05 4.58 0.00 1.57 1.54 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *39 R 8.13 4.10 0.00 1.87 1.92 0.00 3.27 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 40 I 8.12 4.20 1.84 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 1.37 0.49 0.88 0.00 0.00 41 E 8.63 4.93 0.00 1.84 1.71 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 2.35 2.31 0.00 42 Y 7.53 5.09 0.00 2.93 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 43 T 8.63 4.72 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 1.22 0.00 0.00 44 V 8.39 4.78 2.18 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 0.84 0.00 0.00 1.16 0.00 0.00 45 E 9.09 4.85 0.00 2.07 1.78 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 2.21 2.24 0.00 46 D 8.81 5.08 0.00 2.74 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 47 V 8.26 4.65 2.16 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 0.73 0.00 0.00 1.00 0.00 0.00 48 P 0.00 4.35 0.00 2.00 2.05 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 49 S 9.02 5.16 0.00 3.88 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 50 Y 7.96 4.87 0.00 3.06 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 E 8.65 5.04 0.00 1.81 1.78 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 2.11 2.21 0.00 52 K 8.05 4.47 0.00 1.67 1.81 0.00 1.31 0.00 0.00 1.44 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.49 0.21 7.81 53 S 8.33 4.83 0.00 3.92 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 54 Y 8.66 4.37 0.00 3.17 3.23 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 0.00 0.00 0.00 0.00 55 L 8.57 3.92 0.00 1.89 1.71 1.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *59 N 8.36 4.54 0.00 2.77 2.84 0.00 0.00 7.21 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 60 E 7.94 4.22 0.00 2.02 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 2.34 2.35 0.00 61 E 8.28 4.40 0.00 1.87 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 0.00 2.12 2.23 0.00 62 L 8.29 4.02 0.00 1.42 1.46 1.13 1.06 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 63 V 8.20 3.98 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 1.05 0.00 0.00 0.93 0.00 0.00 64 Y 7.92 4.47 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.48 0.00 2.96 3.10 0.00 0.00 6.31 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 66 E 7.96 4.22 0.00 2.01 1.88 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 2.31 2.27 0.00 67 Y 7.79 4.43 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.31 0.50 0.00 0.00 85 I 8.37 4.43 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.87 0.48 0.00 0.00 86 G 7.70 4.34 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 0.00 87 F 8.05 5.37 0.00 3.12 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 88 I 8.97 4.98 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.58 1.05 0.00 0.00 89 V 9.00 4.63 2.11 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 0.46 0.00 0.00 1.01 0.00 0.00 90 L 8.94 5.58 0.00 0.97 1.16 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.04 5.25 0.00 1.98 2.11 0.00 1.38 0.00 0.00 1.87 0.00 0.00 2.43 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.61 1.60 7.81 92 K 9.46 4.69 0.00 1.98 1.91 0.00 1.76 0.00 0.00 1.67 0.00 0.00 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0.00 2.93 2.91 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 0.00 110 R 7.89 4.25 0.00 1.79 1.74 0.00 3.20 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 111 T 8.28 3.33 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 1.16 0.00 0.00 112 L 7.67 4.50 0.00 1.67 1.72 1.02 0.93 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 0.00 113 G 8.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.60 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 1.00 0.00 0.00 0.92 0.00 0.00 115 G 7.97 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.06 0.00 1.95 2.02 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.51 7.81 117 R 8.09 3.98 0.00 2.04 1.94 0.00 3.33 0.00 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1.24 0.00 0.00 *136 L 8.15 3.57 0.00 1.35 1.41 0.10 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.22 5.01 0.00 2.17 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 2.24 2.01 0.00 138 T 8.61 4.76 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 1.41 0.00 0.00 139 Q 8.70 4.98 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.71 0.00 0.00 0.00 0.00 0.00 2.10 2.43 0.00 140 N 9.34 4.53 0.00 3.03 3.14 0.00 0.00 6.80 7.56 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 0.00 141 N 8.03 5.00 0.00 2.91 3.02 0.00 0.00 6.24 8.04 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 0.00 142 N 7.88 4.75 0.00 2.72 2.62 0.00 0.00 6.79 7.18 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 0.00 143 V 7.50 3.55 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 1.06 0.00 0.00 0.95 0.00 0.00 144 A 7.91 3.86 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 0.00 145 A 7.78 3.47 1.02 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 0.00 146 C 7.88 3.56 0.00 3.12 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 0.00 147 K 8.26 3.95 0.00 1.85 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.63 7.81 148 F 7.97 4.02 0.00 2.80 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 0.00 149 Y 7.54 3.66 0.00 1.71 1.92 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 0.00 150 E 7.96 4.28 0.00 2.21 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 2.77 2.60 0.00 151 K 7.79 4.02 0.00 1.75 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.61 7.81 152 C 7.40 4.38 0.00 3.15 3.05 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 0.00 153 G 7.93 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 0.00 154 F 8.19 4.80 0.00 3.09 3.37 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 0.00 155 V 9.28 4.97 2.19 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 0.91 0.00 0.00 1.11 0.00 0.00 156 I 8.30 3.91 1.63 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.68 0.00 0.00 157 G 9.08 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 0.00 158 G 7.93 4.45 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 0.00 159 F 8.22 5.40 0.00 3.03 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 0.00 160 D 8.82 4.07 0.00 2.75 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 0.00 161 F 9.05 4.91 0.00 3.26 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 0.00 162 L 8.14 4.75 0.00 1.75 1.75 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.40 3.63 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 0.50 0.00 0.00 0.81 0.00 0.00 164 Y 7.96 4.40 0.00 3.12 3.05 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 0.00 165 K 8.19 4.34 0.00 2.06 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.58 7.81 166 G 7.67 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.31 0.00 1.89 1.80 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 168 N 7.82 4.50 0.00 2.79 2.29 0.00 0.00 7.00 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 *171 S 9.29 4.51 0.00 3.87 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 0.00 172 D 7.91 4.93 0.00 2.82 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 0.00 173 E 7.96 4.34 0.00 1.68 1.62 0.00 0.00 0.00 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 2.25 0.00 174 V 8.90 4.96 2.37 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 1.40 0.00 0.00 1.33 0.00 0.00 175 A 9.21 4.81 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 0.00 176 I 8.95 4.77 2.01 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 1.22 0.86 0.32 0.00 0.00 177 Y 8.82 4.99 0.00 3.00 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 0.00 178 W 8.79 5.39 0.00 2.71 3.05 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 0.00 179 Y 9.66 5.18 0.00 2.97 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 0.00 180 L 9.16 4.61 0.00 0.27 0.74 0.72 0.48 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 0.00 181 H 8.64 4.75 0.00 3.24 3.19 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 7.73 4.64 0.00 2.87 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 0.00 183 D 8.69 4.51 0.00 2.68 2.59 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.