NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4190 8.3344 115.4113 58.7464 64.3751 171.9290 5 E 5.2750 8.0408 123.3961 55.1108 31.0980 175.0649 6 T 4.2444 7.5527 117.7677 61.6283 69.3562 172.9268 7 Y 4.9945 7.4104 122.9129 56.1866 40.6145 173.9921 8 D 4.6257 9.0980 120.8376 55.1629 42.5226 176.8379 9 F 4.9008 8.1555 115.5871 55.4972 43.8517 173.4041 10 L 4.9751 8.5913 122.7050 53.4071 44.5473 175.4113 11 F 5.4610 8.7949 124.8121 55.6549 42.7094 174.1869 12 K 5.1345 8.9672 123.7605 55.6952 33.7115 175.2531 13 F 5.8380 9.6884 125.7265 55.9210 43.0566 174.1151 14 L 5.3916 8.6764 120.2167 53.0697 45.6250 175.6890 15 V 4.8117 8.6097 120.3594 61.2230 34.1928 174.4639 16 I 4.7714 8.9754 120.9700 57.7167 41.3566 174.4417 17 G 3.5521 6.6501 107.6823 43.0121 0.0000 172.9396 18 N 4.8463 8.2244 117.3727 52.7668 39.1562 174.9521 19 A 4.2029 8.5210 123.2115 53.9144 18.8992 178.4305 20 G 4.0204 9.0008 109.2206 45.8873 0.0000 174.4062 21 T 4.0834 7.3814 107.8742 62.2393 69.4966 175.7414 22 G 4.1242 8.4070 111.2686 45.5748 0.0000 175.2930 23 K 3.8711 8.3773 120.8340 59.6386 31.9957 179.2843 24 S 4.5868 7.8763 115.9583 61.2938 62.7971 176.2068 25 C 4.0953 8.1180 118.9464 62.8754 27.8442 176.1699 26 L 4.1055 8.1483 120.6460 57.7108 41.2805 179.2577 27 L 4.0991 8.1083 120.4015 58.4732 41.9629 178.5246 28 H 4.1082 8.4518 118.3036 59.1933 29.3388 177.0436 29 Q 4.4185 8.5038 123.1282 58.4591 28.6235 178.1119 30 F 4.3167 7.9850 121.0146 61.3938 39.5406 177.0106 31 I 3.4232 7.4451 117.8697 63.4160 35.7688 177.3477 32 E 4.3760 8.1604 116.7315 54.5954 29.9546 176.2419 33 K 4.2512 8.1031 116.5178 55.3458 30.5875 174.6781 34 K 4.7015 7.3037 113.7451 55.2252 35.8501 174.5797 35 F 4.7677 8.6276 122.0096 57.5659 40.5686 176.1459 36 K 3.9117 7.7862 132.9733 56.1209 31.0969 176.4996 *37 D 4.7342 7.0011 117.8448 53.3452 41.6520 177.9285 38 D 4.8955 8.6753 119.1738 54.3177 38.3792 175.5894 39 S 4.0153 7.5940 113.9278 58.5729 62.6888 173.1281 40 N 5.0104 8.2409 123.7157 50.9591 41.4468 173.9295 41 H 4.1664 8.6316 116.3498 56.7765 29.1816 175.7056 42 T 3.9179 8.4196 120.6678 63.4075 68.8944 174.4779 43 I 3.0406 8.1055 127.5272 60.6340 37.4049 175.5812 44 G 3.6988 8.2873 119.8384 44.9069 0.0000 172.2218 45 V 4.9192 7.8600 115.4948 59.9860 35.2473 174.6384 46 E 4.8446 9.2935 123.1478 54.4980 32.9273 174.2116 47 F 4.9812 8.5854 124.6207 56.3873 42.5797 173.9512 48 G 3.9393 7.6101 111.0259 44.6218 0.0000 171.4568 49 S 5.3201 7.7024 113.9743 55.4501 66.4973 173.0721 50 K 4.3073 8.0092 119.9232 55.5138 35.4953 173.8873 51 I 4.8689 8.2100 127.5466 59.8374 38.6278 175.0105 52 I 4.5813 8.8578 120.7382 59.0598 41.0554 174.1844 53 N 4.9932 8.7213 122.3992 51.9909 40.1951 174.2063 54 V 4.1955 8.8703 127.6506 60.6813 32.8312 176.0056 55 G 4.0889 10.0399 113.4294 46.1089 0.0000 173.6580 56 G 3.8386 8.3792 107.1139 44.2404 0.0000 174.0812 57 K 4.6018 8.1583 120.4959 54.9168 34.4478 175.0400 58 Y 4.8734 9.2215 123.4151 57.1007 39.5521 174.6154 59 V 4.7464 9.1451 125.0311 60.8741 34.4904 174.0108 60 K 4.5442 8.9618 130.3668 55.3445 33.7020 174.9599 61 L 4.7860 8.5250 127.7129 53.0479 44.1196 175.3447 62 Q 4.3705 8.7814 123.5135 54.3466 30.9632 174.6073 63 I 4.8426 7.9875 126.3092 59.2214 39.9897 175.0370 64 W 4.9771 9.3279 128.4263 55.3141 30.6545 175.2746 65 D 5.0838 9.1451 127.6608 53.1946 41.6145 175.5434 66 T 4.6341 8.5105 117.1972 60.5480 70.9044 174.1930 67 A 4.2096 8.5099 126.2547 52.2866 18.4913 178.2252 68 G 3.9852 8.9591 110.2344 46.8936 0.0000 174.3390 69 Q 4.2910 8.1871 120.3077 55.6215 29.6578 176.6998 70 E 4.0204 9.1993 122.4205 59.8465 29.2537 179.8419 71 R 3.9660 7.9545 114.2966 58.4746 28.9572 177.6298 72 F 4.8464 8.1372 116.9000 57.1172 39.4453 177.0535 73 R 4.0758 8.5212 120.5652 60.1773 29.9514 178.4837 74 S 4.2480 8.1756 115.5652 61.2426 63.3623 175.0964 *75 V 4.4179 7.3399 122.2539 63.0243 32.5349 179.9069 76 T 4.8150 7.6797 124.1557 64.1522 73.9650 176.3526 77 R 3.7531 8.0467 120.7704 59.1763 29.6344 179.1371 78 S 4.1281 7.5566 113.5754 61.6934 62.8611 175.5964 79 Y 4.1190 7.9058 116.4653 59.3483 38.0256 176.9724 80 Y 4.2850 8.3529 119.1126 59.8666 38.1079 176.2155 81 R 4.3270 7.6234 119.4232 57.7665 30.6002 176.4983 82 G 4.0073 8.3628 113.6655 45.0377 0.0000 173.6006 83 A 4.3155 7.8668 123.1649 52.5002 18.9795 177.2735 84 A 4.4202 9.4350 125.1486 53.3471 20.6294 177.1448 85 G 4.0385 7.9370 100.5847 44.8304 0.0000 171.5514 86 A 5.1031 8.5278 120.8177 50.2106 23.3504 175.0912 87 L 4.7687 8.4872 120.4413 52.9724 44.0355 175.3163 88 L 4.8430 8.7010 126.8672 53.4294 44.0707 175.0195 89 V 5.0100 8.4911 126.9011 61.2486 34.4622 173.8629 90 Y 5.0324 8.7561 124.4559 55.3423 42.4268 173.1972 91 D 5.2728 9.0607 119.5491 52.2345 42.5785 177.1206 92 I 3.9020 8.6792 120.9771 63.5562 37.6495 177.3920 93 T 4.5323 8.2542 109.3551 61.1180 69.3206 174.7072 94 S 4.5987 8.2566 117.4667 55.7024 63.7077 173.8987 95 R 4.0035 9.4731 129.7606 59.2016 29.6104 177.5273 96 E 3.9702 8.4015 119.1357 59.7508 29.2882 178.9140 97 T 4.1810 7.8889 108.5623 64.8355 69.3090 175.7541 98 Y 3.8704 8.0292 122.0987 60.3556 38.6922 176.9940 99 N 4.2118 8.1441 116.0245 55.2463 38.8283 176.4874 100 A 4.2038 7.5967 120.1513 53.5021 18.6179 179.2923 101 L 4.1635 7.5457 118.2697 57.9219 41.5408 179.4183 102 T 4.0359 7.8067 115.2512 66.8489 68.3975 176.1082 103 N 4.2567 8.0475 117.6172 56.1079 38.5749 177.1441 104 W 4.3906 7.8218 120.2106 59.9077 29.3126 178.3515 105 L 4.0732 8.4827 120.2818 58.4406 41.5799 178.9598 106 T 3.8959 8.1519 115.7918 66.8885 68.3327 175.9236 107 D 4.2841 8.3520 120.3650 57.5211 40.8865 178.6264 108 A 4.4999 8.5663 121.0151 55.8425 17.0492 179.9728 109 R 3.9594 8.0734 115.7834 59.2051 29.9030 178.7361 110 M 4.3798 7.9829 117.3434 57.5285 32.4206 177.2956 111 L 4.4480 8.2982 117.4850 55.3365 42.7318 177.6949 112 A 4.6677 9.7051 119.8218 52.3800 19.5016 177.0440 113 S 4.3820 8.3126 116.2977 57.0444 61.6817 175.5133 114 Q 3.7759 8.0224 118.9790 56.6311 28.2553 173.3409 115 N 4.5200 8.0377 112.5788 54.6436 38.8114 174.8578 116 I 3.8203 7.6807 119.2672 61.6953 38.7411 174.9455 117 V 4.0506 8.3997 129.2231 61.9647 32.7578 174.4289 118 I 4.8092 8.2695 128.4266 59.5508 39.6641 174.8015 119 I 4.4565 8.2254 127.8762 59.4952 39.2642 174.5211 120 L 4.7663 8.9159 130.2446 54.7143 43.5710 175.0089 121 C 5.0929 9.5293 124.7005 58.0923 30.9642 173.6668 122 G 3.2997 9.0417 113.4554 44.7861 0.0000 172.3408 123 N 5.1481 8.7036 126.7514 51.3812 41.5188 174.5962 124 K 4.1800 8.5084 116.4623 57.1221 29.0768 178.4860 125 K 3.8455 8.1169 122.7243 59.3038 32.1592 177.5873 126 D 4.4674 7.9893 116.8775 55.2875 39.6719 176.2494 127 L 4.6202 7.7991 120.9606 54.2677 42.5146 178.1145 128 D 4.2745 8.3163 120.5569 57.3507 41.2680 178.1039 129 A 4.0637 8.0325 120.5261 54.4982 18.5691 177.4776 130 D 4.8169 8.2296 115.1466 53.8631 41.1487 176.0908 131 R 4.1281 7.6609 120.5659 56.9034 30.2186 176.1472 132 E 4.5821 9.3519 123.6776 55.8468 31.4405 176.0879 133 V 4.3097 7.5324 118.3414 60.3352 34.1199 175.5814 134 T 4.2587 8.6189 118.1900 61.1185 70.8470 175.2396 135 F 4.5028 8.9917 124.8188 62.0053 39.3656 177.6625 136 L 3.8887 8.0296 118.0697 57.6756 41.5379 179.1662 137 E 3.9722 8.2626 117.4730 59.2720 29.5785 179.0451 138 A 4.0505 7.7178 123.0424 54.1781 18.2260 179.6487 139 S 3.8622 7.8945 114.1981 61.6169 62.7810 176.9503 140 R 3.7933 7.7956 121.2203 59.3927 29.7668 178.1844 141 F 4.0088 8.2481 120.2111 61.2368 39.2164 176.8924 142 A 3.7668 8.2296 120.5631 55.1233 18.2367 179.3517 143 Q 3.8288 8.1419 118.1726 59.5011 28.9618 178.4237 144 E 4.0028 8.0920 118.0372 58.4176 29.4090 178.0778 145 N 4.5880 7.0522 114.1224 51.5651 39.5700 174.3191 146 E 3.7407 7.8101 118.3515 57.8783 27.5389 174.3738 147 L 4.8177 7.8631 116.9893 52.9668 44.8157 177.3393 148 M 4.3672 8.5566 122.6770 55.2784 33.7553 174.3379 149 F 5.6372 8.8414 127.3622 56.5158 42.0961 174.0359 150 L 4.5307 8.8622 125.2366 52.7862 45.6146 175.2797 151 E 4.8660 8.3239 122.0608 55.5796 30.7156 175.6093 152 T 4.8664 8.6995 113.6328 59.8480 73.0351 172.7939 153 S 4.6528 8.7731 115.9893 56.4033 64.5925 174.7284 154 A 4.0916 8.7033 131.3595 54.8339 18.6516 178.5513 155 L 3.1288 7.8219 117.4419 57.9251 42.1859 177.9477 156 T 4.0505 7.7781 106.6247 61.9571 69.5559 175.8450 157 G 3.9200 8.5343 110.9045 44.5678 0.0000 172.6627 158 E 3.9448 8.0113 121.6279 57.7589 29.9634 176.6049 159 N 4.3275 9.0066 121.0272 54.3324 36.3279 176.3098 160 V 3.5660 7.7912 118.9980 66.1056 31.5917 177.5853 161 E 4.2557 8.3467 118.5321 59.5538 29.4745 178.1594 162 E 3.9142 8.3555 118.4542 59.3174 29.5952 178.5899 163 A 3.8552 7.9675 120.6602 55.2231 18.4436 179.7106 164 F 4.0172 7.6566 115.6823 60.5316 38.7484 178.2320 165 V 3.7576 8.2191 118.2337 66.0329 31.3666 178.1259 166 Q 3.9878 8.6457 118.2448 58.9140 28.5183 178.1866 167 C 3.9034 8.0724 119.4762 62.5138 31.5530 175.3764 168 A 4.3712 8.3446 122.1883 55.5594 17.9642 179.6985 169 R 3.8907 8.4023 116.7098 59.5695 30.2168 179.5449 170 K 3.9998 8.2281 118.1140 59.2352 31.9236 179.6245 171 I 3.5425 7.7395 120.2785 64.3363 37.0092 178.4094 172 L 3.9072 8.0320 119.8201 57.9139 41.3009 179.4283 173 N 4.4098 8.3673 116.5026 56.0521 38.1945 177.6973 174 K 3.9797 7.6993 119.3373 59.3401 32.1959 179.0555 175 I 3.8792 7.7088 119.4375 64.2619 37.0871 177.9074 176 E 4.1616 8.0119 119.1871 58.5491 29.7386 176.5500 177 S 4.2363 8.1613 116.7854 58.9296 63.1728 174.6231 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 4 S 8.33 4.42 0.00 4.00 3.99 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 5 E 8.04 5.27 0.00 2.10 1.97 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 1.99 2.34 0.00 6 T 7.55 4.24 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 0.95 0.00 0.00 7 Y 7.41 4.99 0.00 3.11 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 8 D 9.10 4.63 0.00 2.73 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 9 F 8.16 4.90 0.00 2.53 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 0.00 0.00 0.00 0.00 10 L 8.59 4.98 0.00 1.63 1.63 0.81 0.74 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 11 F 8.79 5.46 0.00 2.91 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 12 K 8.97 5.13 0.00 2.12 2.07 0.00 1.88 0.00 0.00 1.97 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.80 2.01 7.81 13 F 9.69 5.84 0.00 2.98 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 14 L 8.68 5.39 0.00 1.43 1.40 0.32 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.61 4.81 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 0.94 0.00 0.00 1.06 0.00 0.00 16 I 8.98 4.77 1.58 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 1.05 0.74 0.72 0.00 0.00 17 G 6.65 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 4.85 0.00 3.02 2.93 0.00 0.00 6.68 7.54 0.00 0.00 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 A 8.52 4.20 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 0.00 0.00 0.00 0.00 0.00 20 G 9.00 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 21 T 7.38 4.08 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 1.31 0.00 0.00 22 G 8.41 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.38 3.87 0.00 1.79 1.96 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 24 S 7.88 4.59 0.00 3.83 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 25 C 8.12 4.10 0.00 3.19 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 26 L 8.15 4.11 0.00 1.93 1.85 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.11 4.10 0.00 1.86 1.84 0.83 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 28 H 8.45 4.11 0.00 3.36 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.50 4.42 0.00 2.50 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 30 F 7.98 4.32 0.00 2.90 2.93 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 31 I 7.45 3.42 1.65 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 1.56 0.68 0.67 0.00 0.00 32 E 8.16 4.38 0.00 1.72 1.77 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 1.95 2.12 0.00 33 K 8.10 4.25 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.22 7.81 34 K 7.30 4.70 0.00 1.96 1.87 0.00 1.36 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.46 7.81 35 F 8.63 4.77 0.00 2.94 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 36 K 7.79 3.91 0.00 1.36 1.30 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.13 1.01 7.81 *37 D 7.00 4.73 0.00 2.73 2.42 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 0.00 38 D 8.68 4.90 0.00 2.62 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 39 S 7.59 4.02 0.00 3.60 3.65 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 40 N 8.24 5.01 0.00 2.70 2.70 0.00 0.00 7.07 8.16 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 41 H 8.63 4.17 0.00 3.21 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.42 3.92 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 1.12 0.00 0.00 43 I 8.11 3.04 1.76 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 1.28 0.79 0.89 0.00 0.00 44 G 8.29 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 0.00 0.00 0.00 45 V 7.86 4.92 1.81 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 0.61 0.00 0.00 0.86 0.00 0.00 46 E 9.29 4.84 0.00 2.04 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 2.17 2.24 0.00 47 F 8.59 4.98 0.00 2.49 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 48 G 7.61 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 0.00 0.00 0.00 49 S 7.70 5.32 0.00 3.71 3.44 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 0.00 0.00 0.00 0.00 50 K 8.01 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0.00 0.00 0.00 1.29 0.00 0.00 67 A 8.51 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.96 3.99 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 0.00 0.00 0.00 69 Q 8.19 4.29 0.00 2.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 70 E 9.20 4.02 0.00 2.01 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 2.38 2.38 0.00 71 R 7.95 3.97 0.00 1.46 1.84 0.00 2.84 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.00 72 F 8.14 4.85 0.00 3.18 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 73 R 8.52 4.08 0.00 2.03 1.94 0.00 2.98 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 74 S 8.18 4.25 0.00 4.09 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 *75 V 7.34 4.42 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 0.82 0.00 0.00 0.93 0.00 0.00 76 T 7.68 4.81 4.81 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 1.62 0.00 0.00 77 R 8.05 3.75 0.00 2.05 1.81 0.00 3.05 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.46 0.00 78 S 7.56 4.13 0.00 3.82 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 79 Y 7.91 4.12 0.00 3.16 2.82 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 80 Y 8.35 4.29 0.00 3.10 3.07 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 81 R 7.62 4.33 0.00 1.79 1.87 0.00 3.53 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 82 G 8.36 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 0.00 0.00 0.00 83 A 7.87 4.32 1.42 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 R 8.07 3.96 0.00 2.07 2.01 0.00 3.12 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 110 M 7.98 4.38 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 111 L 8.30 4.45 0.00 1.67 1.65 0.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.71 4.67 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.38 0.00 4.10 4.13 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 0.00 114 Q 8.02 3.78 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 115 N 8.04 4.52 0.00 2.75 2.83 0.00 0.00 6.88 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 0.00 116 I 7.68 3.82 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.41 1.39 7.81 125 K 8.12 3.85 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.35 7.81 126 D 7.99 4.47 0.00 2.74 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 0.00 127 L 7.80 4.62 0.00 1.85 1.69 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.32 4.27 0.00 2.89 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 0.00 129 A 8.03 4.06 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 0.00 130 D 8.23 4.82 0.00 2.91 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 0.00 131 R 7.66 4.13 0.00 1.92 1.90 0.00 3.24 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 132 E 9.35 4.58 0.00 1.94 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 2.24 2.46 0.00 133 V 7.53 4.31 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 -0.17 0.00 0.00 0.76 0.00 0.00 134 T 8.62 4.26 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 1.21 0.00 0.00 135 F 8.99 4.50 0.00 3.24 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 0.00 136 L 8.03 3.89 0.00 1.77 1.71 0.99 1.04 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 0.00 137 E 8.26 3.97 0.00 2.18 2.15 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 2.28 2.05 0.00 138 A 7.72 4.05 0.86 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 0.00 0.00 139 S 7.89 3.86 0.00 3.80 3.79 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 0.00 140 R 7.80 3.79 0.00 1.87 2.11 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 141 F 8.25 4.01 0.00 3.13 3.13 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 0.00 142 A 8.23 3.77 1.33 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 0.00 0.00 143 Q 8.14 3.83 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 144 E 8.09 4.00 0.00 1.91 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 2.37 0.00 145 N 7.05 4.59 0.00 2.11 2.48 0.00 0.00 7.04 8.17 0.00 0.00 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 E 7.81 3.74 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 2.20 2.19 0.00 147 L 7.86 4.82 0.00 1.46 1.55 0.90 1.00 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 0.00 148 M 8.56 4.37 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 149 F 8.84 5.64 0.00 2.98 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 0.00 150 L 8.86 4.53 0.00 1.45 1.33 0.85 0.95 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 0.00 151 E 8.32 4.87 0.00 1.73 1.82 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 2.40 2.19 0.00 152 T 8.70 4.87 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 1.12 0.00 0.00 153 S 8.77 4.65 0.00 3.80 3.65 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 0.00 154 A 8.70 4.09 1.49 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 0.00 0.00 0.00 155 L 7.82 3.13 0.00 0.77 1.34 -0.02 0.77 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 0.00 156 T 7.78 4.05 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 0.00 157 G 8.53 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 0.00 158 E 8.01 3.94 0.00 1.99 1.82 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 2.26 2.26 0.00 159 N 9.01 4.33 0.00 3.00 2.81 0.00 0.00 6.77 7.68 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 0.00 160 V 7.79 3.57 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 1.23 0.00 0.00 1.05 0.00 0.00 161 E 8.35 4.26 0.00 2.28 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 2.52 2.68 0.00 162 E 8.36 3.91 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 2.37 2.43 0.00 163 A 7.97 3.86 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 0.00 164 F 7.66 4.02 0.00 2.49 2.57 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 0.00 165 V 8.22 3.76 2.15 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 1.17 0.00 0.00 1.13 0.00 0.00 166 Q 8.65 3.99 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 167 C 8.07 3.90 0.00 2.88 3.07 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 0.00 168 A 8.34 4.37 1.65 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 0.00 0.00 169 R 8.40 3.89 0.00 2.05 2.00 0.00 3.34 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 1.67 1.91 0.00 170 K 8.23 4.00 0.00 1.89 1.80 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 171 I 7.74 3.54 1.62 0.00 0.00 0.72 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 0.49 -0.12 0.00 0.00 172 L 8.03 3.91 0.00 1.80 1.61 0.79 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.37 4.41 0.00 2.85 2.85 0.00 0.00 6.99 7.62 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 0.00 174 K 7.70 3.98 0.00 1.87 1.84 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.68 7.81 175 I 7.71 3.88 2.07 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 1.49 0.60 1.08 0.00 0.00 176 E 8.01 4.16 0.00 2.13 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 2.35 2.36 0.00 177 S 8.16 4.24 0.00 3.96 3.76 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.