NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3119 8.2431 119.0805 56.1893 31.7808 175.5974 6 G 3.7717 7.9835 105.1350 41.2857 0.0000 170.8959 7 S 4.4273 8.7684 115.3064 57.4197 64.9344 173.3406 8 L 3.9934 8.4780 119.5534 58.0725 40.9805 179.7891 9 F 4.0677 8.1688 117.9407 60.0666 38.7966 177.6413 10 S 4.3093 8.0902 113.6411 60.3780 62.6651 175.5694 11 R 4.6243 7.6178 120.4003 56.1118 30.5301 177.7317 12 I 3.4764 7.2971 118.8073 63.0910 37.9975 176.3004 13 F 4.8670 7.4116 115.6578 55.4530 39.9985 177.7578 14 G 3.7686 7.6046 109.2919 46.6879 0.0000 174.7468 15 K 4.4440 8.5809 118.6479 56.5246 33.4931 176.9589 16 K 4.2306 7.8366 118.3289 55.6754 32.8212 176.6518 17 Q 4.2901 8.6181 121.1138 56.9365 30.0326 175.2753 18 M 4.7241 9.3549 123.0210 53.7502 35.5770 174.0069 19 R 4.8469 9.2570 125.6797 54.6173 32.9659 174.7126 20 I 4.6636 8.3812 125.5589 59.0784 40.4330 174.4834 21 L 4.7875 8.6140 128.7571 53.3858 44.4360 174.5189 22 M 5.1000 9.0453 126.4755 54.0120 34.9214 174.6033 23 V 4.6810 8.9056 118.7293 57.6181 37.0031 174.7141 24 G 3.7140 7.9028 109.2859 45.4959 0.0000 171.9092 25 L 4.9899 7.8938 119.8329 53.6247 42.8954 177.0778 26 D 4.3012 8.6563 120.0555 54.9806 39.6110 176.4011 27 A 3.6794 8.7685 121.9188 52.8189 16.2480 178.6665 28 A 3.9835 7.6238 122.3610 55.4052 18.7097 178.9686 29 G 4.0120 8.4055 103.7097 45.7502 0.0000 175.9011 30 K 3.9292 8.3698 121.6269 59.5990 32.0695 179.2555 31 T 3.8285 7.7996 115.4292 66.8848 68.4257 176.4090 32 T 3.8826 7.9162 117.1091 66.8228 68.2311 176.3981 33 I 3.4873 7.4954 120.0009 64.3690 37.3334 177.8674 34 L 3.8398 7.8462 119.8245 58.2629 41.4023 179.2063 35 Y 4.1246 8.1071 119.0506 60.6085 38.4896 178.1263 36 K 3.9719 7.7813 118.4568 58.9757 32.1185 178.9793 37 L 2.8608 7.0056 118.7534 54.9353 41.7875 177.0880 38 K 3.6548 7.0674 115.3315 57.6707 30.1108 175.2774 39 L 4.3101 7.7835 113.2486 54.6534 42.1937 176.6147 40 G 3.8555 7.9727 105.2119 44.0828 0.0000 173.4212 41 E 4.1097 8.3896 117.8998 56.2689 29.9272 176.8703 42 I 4.2184 8.3560 124.1890 61.1711 37.8753 175.3175 43 V 4.4152 8.6271 127.8912 61.3192 33.9445 174.2433 44 T 5.1346 8.5671 124.5690 62.3285 69.9945 173.9962 45 T 4.6619 9.0194 116.0416 59.9171 72.6853 173.0883 46 I 4.8545 8.2040 121.8168 57.6578 36.4982 173.7258 47 P 4.4147 0.0000 0.0000 64.9036 32.2858 177.3625 48 T 4.6428 7.6382 112.1865 59.5910 70.5153 172.2419 49 I 3.7243 8.3461 125.6182 63.1199 38.0324 176.1741 50 G 3.9349 9.1360 115.0024 45.4755 0.0000 173.1965 51 F 4.9232 8.0071 122.6923 56.0879 39.3196 172.1161 52 N 4.7784 8.4350 123.1862 52.1769 39.5374 174.3661 53 V 4.4836 8.6408 124.2906 61.0486 34.5428 173.9290 54 E 5.1784 9.0268 127.1966 55.2740 31.9644 175.1377 55 T 5.2328 8.9332 119.6466 61.7918 72.9334 172.9312 56 V 4.7709 8.7769 125.5448 61.0568 34.2952 173.8060 57 E 5.3052 8.9395 127.9197 54.7027 32.7853 174.0183 58 Y 4.6599 9.1368 127.2582 56.4585 42.4805 176.7693 59 K 3.7608 8.4467 128.4003 57.7081 31.9583 176.0818 60 N 4.9642 9.0339 127.1714 53.7256 37.9809 173.8523 61 I 4.8911 8.3765 122.0473 59.8890 39.9147 174.1060 62 C 5.2113 8.9965 126.9843 57.7736 34.7569 172.3161 63 F 5.1462 9.6863 126.0029 56.1978 41.0035 174.8748 64 T 5.1481 8.8641 120.6532 61.7275 71.3328 173.5267 65 V 5.3572 9.3386 125.5522 59.8946 34.9612 174.1888 66 W 5.5827 7.8953 122.3306 55.4217 31.8718 172.9182 67 D 4.9987 8.9834 120.2654 54.0262 41.2645 176.5160 68 V 4.4993 8.7428 115.3027 59.8805 35.3172 175.0861 69 G 3.7825 8.3959 107.1101 46.5602 0.0000 174.3474 *75 R 3.3319 7.4723 115.7629 54.5602 31.2357 175.6886 76 P 4.1004 0.0000 0.0000 65.6106 31.4025 178.6474 77 L 4.0442 7.4204 118.4791 57.6129 41.9244 178.7457 78 W 4.4107 7.5236 121.2866 60.3538 28.7813 178.9749 79 R 4.0491 7.5867 119.5218 61.8471 28.5608 180.6206 80 H 4.4217 7.6242 113.8455 58.5822 28.8385 177.2464 81 Y 4.3243 7.4986 118.9409 60.9946 37.9523 177.9426 82 F 4.7073 8.7844 119.4723 60.8187 38.8321 177.5031 83 Q 4.2513 8.4179 116.6035 58.5006 28.1245 177.2749 84 N 5.0185 7.4619 114.5778 52.3176 37.7614 174.2243 85 T 4.0679 8.0157 116.3693 64.5718 69.2559 174.2086 86 Q 4.2898 9.1446 125.7965 57.0016 30.7640 176.0255 87 G 4.3134 7.8038 105.4983 44.0388 0.0000 171.7187 88 L 5.0214 8.9237 126.9977 53.3465 44.2109 174.8513 89 I 4.8798 8.9433 128.0505 59.5262 39.6790 174.3867 90 F 4.9293 9.1064 129.6250 56.3107 41.7561 173.7889 91 V 4.7764 7.8815 126.8721 61.2056 33.0371 174.9347 92 V 4.4104 8.5958 127.4701 60.9809 34.7969 174.0119 93 D 4.8020 8.7153 127.4479 53.6827 41.1079 176.8326 94 S 4.2158 9.1900 124.2275 60.8760 63.0400 175.8955 95 N 4.5867 8.5556 117.3972 54.0783 39.3799 175.0293 96 D 4.7615 7.7385 119.3096 53.1157 39.7669 176.5558 97 R 4.0264 7.9152 122.5368 58.6843 30.8163 179.1854 98 E 3.9899 8.1995 116.3247 58.5749 29.7431 177.6517 99 R 4.5391 7.8809 115.7380 55.8962 30.9465 178.1024 100 V 3.5940 7.6722 120.2294 65.9518 31.3008 177.8309 101 Q 3.9352 8.0156 118.9544 59.0599 28.9744 177.5974 102 E 3.9098 8.1542 119.8516 59.2969 29.6755 178.4281 103 S 4.2171 8.4143 113.1369 61.4556 62.3968 175.9208 104 A 3.8021 8.3772 123.6496 55.4040 18.1404 179.2789 105 D 4.2485 8.2904 117.5070 57.6376 40.8107 179.0608 106 E 4.0191 8.2545 119.1211 59.0063 29.4246 178.9912 107 L 3.2221 7.6425 120.4730 58.0778 42.0072 179.0395 108 Q 3.8133 7.9945 118.0952 58.7129 28.3727 178.7389 109 K 3.8413 7.8389 119.5868 59.7657 32.5309 178.2018 110 M 3.9846 7.7782 118.6850 58.6177 31.7607 178.8948 111 L 4.0164 7.7474 116.7945 56.9843 41.8234 178.6282 112 Q 4.4116 7.6763 116.2590 55.3266 29.3063 175.5826 113 E 4.1381 7.8404 124.2696 56.4922 29.8938 177.8592 114 D 4.4655 9.0434 123.8938 56.4685 39.9248 175.0737 115 E 4.2542 8.2446 117.0703 58.4432 29.8475 177.3962 116 L 4.4022 7.9374 120.4625 54.8061 42.1188 178.8685 117 R 3.8722 7.6055 119.0857 59.3147 29.1613 181.8554 118 D 4.7586 7.8722 114.1767 53.6845 41.4588 176.4129 119 A 4.3010 7.7566 122.6033 51.9921 19.1001 177.7631 120 V 3.9228 8.3961 122.1234 62.4555 33.3479 174.4912 121 L 5.0968 9.2224 130.3683 53.5840 43.8986 174.4756 122 L 5.1009 9.0292 129.5020 53.4394 44.3664 174.9102 123 V 4.5805 8.5729 127.3818 61.5200 33.4734 174.5775 124 F 5.2911 9.0232 127.7781 56.5781 40.0793 175.1369 125 A 4.7707 9.1633 128.5768 51.0917 17.9864 176.0366 126 N 5.4176 9.1415 120.6111 52.3576 41.6897 174.4231 127 K 4.5680 8.4271 116.8876 57.4387 29.2286 178.1249 128 Q 4.2059 8.0420 119.0179 57.9282 29.0349 177.6472 129 D 4.4675 8.0100 117.6417 55.7733 40.0624 176.2735 130 M 4.4676 7.9326 120.8027 54.0965 32.7290 175.3671 131 P 4.1921 0.0000 0.0000 65.6006 31.5968 176.7496 132 N 4.6908 7.9987 112.9763 53.0615 38.8706 174.1475 133 A 4.2162 7.6185 118.4440 52.6342 18.9878 177.8415 134 M 4.1720 8.7709 122.8110 54.6672 32.8798 174.4771 135 P 4.3104 0.0000 0.0000 63.1069 32.4759 177.5238 136 V 3.5467 8.6243 121.8604 66.0473 31.5898 178.4680 137 S 4.1167 8.0716 113.5399 61.6220 62.6259 176.0272 138 E 3.8840 8.0954 122.8701 58.5809 29.4096 178.2414 139 L 3.9002 8.0893 120.4652 58.4750 42.1625 178.8988 140 T 3.7921 8.2919 118.3917 67.3185 68.3968 176.8384 141 D 4.2827 7.9341 122.4264 58.5540 39.7119 180.5650 142 K 4.1502 7.9918 119.0988 59.1005 32.1300 178.9006 143 L 4.1365 8.0527 117.5951 55.0249 41.7160 177.7902 144 G 3.8507 7.9232 107.6603 46.0589 0.0000 175.8341 145 L 3.4292 7.3733 122.3686 56.8066 41.5051 179.3353 146 Q 4.3196 7.7129 115.0469 58.4028 28.6679 176.3829 147 H 4.6691 7.4479 114.8763 56.0586 29.3267 175.4670 148 L 4.2417 7.5671 120.3948 54.4291 42.0158 176.5168 149 R 4.6912 8.3781 121.3145 55.5567 32.7606 175.9464 150 S 4.0543 8.7458 114.8319 59.4511 61.9790 171.9607 151 R 4.6430 7.5027 119.1139 55.8181 32.3697 174.3835 152 T 4.6292 8.5619 122.0599 62.7062 69.7843 173.7457 153 W 6.3000 8.3286 122.0532 55.6983 31.7215 173.4189 154 Y 4.6434 8.4022 120.4778 56.3667 41.6916 173.1609 155 V 4.3650 8.2835 126.3829 61.2463 33.2521 174.2573 156 Q 4.1656 8.5557 129.9676 53.6890 30.6491 174.5086 157 A 4.6899 8.5352 129.0663 52.5624 19.7074 176.0668 158 T 4.7456 8.9492 111.4556 60.3905 73.1071 172.7654 159 C 4.8803 8.9898 122.9875 57.2886 32.7146 174.1587 160 A 3.9093 9.1684 129.8732 54.9072 18.3841 179.2491 161 T 4.0195 7.8215 105.2130 64.7256 69.0430 175.6485 162 Q 4.0498 7.9602 119.9569 56.6885 29.4712 176.9270 163 G 4.0128 8.5391 106.4627 45.1389 0.0000 173.6113 164 T 4.0552 7.7223 117.2850 65.2511 68.9218 174.9265 165 G 4.1540 8.9654 113.9507 47.1807 0.0000 175.6148 166 L 3.8866 7.9427 119.6444 58.0226 41.6092 178.6399 167 Y 3.9978 8.3601 119.0487 60.6537 38.7544 177.2328 168 D 4.6629 8.6037 118.6798 57.5573 41.3649 178.5030 169 G 4.0269 8.8598 106.3321 48.1812 0.0000 175.7855 170 L 4.3700 8.7095 122.1344 57.1630 41.5326 179.1508 171 D 4.1475 8.6482 118.7380 56.9737 41.2111 177.8551 172 W 4.1315 8.3519 128.9080 60.6074 30.6641 177.6462 173 L 3.6237 8.4316 120.0936 58.0212 41.0780 178.7214 174 S 4.2984 8.7052 113.5141 61.8617 62.4100 175.9292 175 H 4.0543 8.2695 118.8111 58.9676 28.2267 177.7167 176 E 3.7634 7.6473 119.0693 58.4042 29.3650 178.4183 177 L 4.5188 7.4799 117.3230 54.3924 41.7794 178.5724 178 S 4.1365 7.7406 115.9906 60.8644 63.0667 175.1730 179 K 4.4161 7.8006 118.5662 55.8290 32.0054 176.5379 180 R 4.0560 7.7972 122.0845 56.6208 29.1161 176.3244 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 5 R 8.24 4.31 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 6 G 7.98 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 7 S 8.77 4.43 0.00 4.08 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 0.00 8 L 8.48 3.99 0.00 1.61 1.67 0.86 0.74 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 9 F 8.17 4.07 0.00 3.14 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 10 S 8.09 4.31 0.00 3.79 3.68 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 11 R 7.62 4.62 0.00 1.82 1.99 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 12 I 7.30 3.48 1.33 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.13 -0.09 0.00 0.00 13 F 7.41 4.87 0.00 3.14 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 14 G 7.60 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 15 K 8.58 4.44 0.00 1.77 1.88 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 16 K 7.84 4.23 0.00 1.75 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.47 7.81 17 Q 8.62 4.29 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 18 M 9.35 4.72 0.00 1.67 1.49 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.81 0.00 19 R 9.26 4.85 0.00 1.80 1.80 0.00 3.29 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 20 I 8.38 4.66 0.78 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.22 0.69 0.00 0.00 21 L 8.61 4.79 0.00 1.65 1.37 -0.25 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 22 M 9.05 5.10 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 23 V 8.91 4.68 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 -0.02 0.00 0.00 0.82 0.00 0.00 24 G 7.90 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 25 L 7.89 4.99 0.00 1.61 1.62 0.96 1.38 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 26 D 8.66 4.30 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.77 3.68 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 28 A 7.62 3.98 1.25 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 0.00 0.00 0.00 29 G 8.41 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 30 K 8.37 3.93 0.00 1.77 1.83 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.45 7.81 31 T 7.80 3.83 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 1.17 0.00 0.00 32 T 7.92 3.88 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 33 I 7.50 3.49 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.76 0.00 0.00 34 L 7.85 3.84 0.00 1.83 1.68 0.91 0.48 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 35 Y 8.11 4.12 0.00 3.08 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 36 K 7.78 3.97 0.00 1.75 1.67 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.59 1.68 7.81 37 L 7.01 2.86 0.00 1.30 1.31 -0.15 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.07 3.65 0.00 1.88 1.77 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 1.36 7.81 39 L 7.78 4.31 0.00 1.58 1.73 1.08 0.98 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 40 G 7.97 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 0.00 0.00 0.00 41 E 8.39 4.11 0.00 2.02 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 2.37 2.38 0.00 42 I 8.36 4.22 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.92 0.00 0.00 43 V 8.63 4.42 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 1.08 0.00 0.00 1.02 0.00 0.00 44 T 8.57 5.13 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 1.19 0.00 0.00 45 T 9.02 4.66 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 1.24 0.00 0.00 46 I 8.20 4.85 1.87 0.00 0.00 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 1.15 1.49 1.06 0.00 0.00 47 P 0.00 4.41 0.00 2.31 2.27 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 48 T 7.64 4.64 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 49 I 8.35 3.72 1.87 0.00 0.00 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 1.35 0.93 0.89 0.00 0.00 50 G 9.14 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 51 F 8.01 4.92 0.00 2.89 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 52 N 8.44 4.78 0.00 2.65 2.71 0.00 0.00 6.91 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 53 V 8.64 4.48 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 1.07 0.00 0.00 0.05 0.00 0.00 54 E 9.03 5.18 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 55 T 8.93 5.23 4.31 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 1.32 0.00 0.00 56 V 8.78 4.77 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 0.99 0.00 0.00 0.99 0.00 0.00 57 E 8.94 5.31 0.00 2.06 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 2.23 2.54 0.00 58 Y 9.14 4.66 0.00 3.30 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 59 K 8.45 3.76 0.00 1.58 0.90 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.03 0.40 7.81 60 N 9.03 4.96 0.00 3.02 3.08 0.00 0.00 6.58 8.03 0.00 0.00 0.00 0.00 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0.00 0.00 69 G 8.40 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 *75 R 7.47 3.33 0.00 0.67 0.79 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 76 P 0.00 4.10 0.00 1.99 1.99 0.00 3.24 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 77 L 7.42 4.04 0.00 1.67 1.42 0.92 1.10 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 78 W 7.52 4.41 0.00 3.09 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 0.00 0.00 0.00 79 R 7.59 4.05 0.00 1.86 1.95 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 80 H 7.62 4.42 0.00 3.30 3.36 0.00 5.53 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.50 4.32 0.00 3.44 3.27 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 0.00 82 F 8.78 4.71 0.00 3.25 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 83 Q 8.42 4.25 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.28 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 84 N 7.46 5.02 0.00 2.96 2.92 0.00 0.00 7.06 7.59 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 85 T 8.02 4.07 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 86 Q 9.14 4.29 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 87 G 7.80 4.31 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 0.00 88 L 8.92 5.02 0.00 1.67 1.51 0.83 0.72 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 89 I 8.94 4.88 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.60 0.73 0.00 0.00 90 F 9.11 4.93 0.00 3.06 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 91 V 7.88 4.78 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 0.83 0.00 0.00 1.03 0.00 0.00 92 V 8.60 4.41 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 1.03 0.00 0.00 1.19 0.00 0.00 93 D 8.72 4.80 0.00 2.76 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 94 S 9.19 4.22 0.00 3.95 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 0.00 95 N 8.56 4.59 0.00 2.64 2.96 0.00 0.00 7.01 8.83 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 96 D 7.74 4.76 0.00 2.91 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 97 R 7.92 4.03 0.00 1.91 1.97 0.00 3.18 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 98 E 8.20 3.99 0.00 2.22 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 2.31 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0.27 1.23 0.40 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.99 3.81 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 109 K 7.84 3.84 0.00 1.88 1.96 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.53 7.81 110 M 7.78 3.98 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.97 0.00 111 L 7.75 4.02 0.00 1.62 1.64 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.68 4.41 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 113 E 7.84 4.14 0.00 1.90 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 2.50 2.14 0.00 114 D 9.04 4.47 0.00 2.60 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 0.00 115 E 8.24 4.25 0.00 2.24 2.25 0.00 0.00 0.00 0.00 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0.00 0.00 0.97 0.00 0.00 0.87 0.00 0.00 124 F 9.02 5.29 0.00 3.01 2.77 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 0.00 125 A 9.16 4.77 1.24 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 0.00 0.00 126 N 9.14 5.42 0.00 2.85 2.79 0.00 0.00 7.08 7.81 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 0.00 127 K 8.43 4.57 0.00 2.02 1.88 0.00 2.24 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.39 7.81 128 Q 8.04 4.21 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 129 D 8.01 4.47 0.00 2.81 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 0.00 130 M 7.93 4.47 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 131 P 0.00 4.19 0.00 2.03 2.12 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 132 N 8.00 4.69 0.00 2.65 2.95 0.00 0.00 6.89 7.96 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 0.00 133 A 7.62 4.22 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 0.00 134 M 8.77 4.17 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.52 0.00 135 P 0.00 4.31 0.00 2.11 1.98 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 136 V 8.62 3.55 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 1.16 0.00 0.00 0.91 0.00 0.00 137 S 8.07 4.12 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 0.00 138 E 8.10 3.88 0.00 2.05 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 0.00 2.37 2.36 0.00 139 L 8.09 3.90 0.00 1.78 1.77 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.29 3.79 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 1.21 0.00 0.00 141 D 7.93 4.28 0.00 2.72 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 0.00 142 K 7.99 4.15 0.00 1.80 1.88 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.64 7.81 143 L 8.05 4.14 0.00 1.37 1.47 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.92 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 0.00 0.00 0.00 145 L 7.37 3.43 0.00 0.73 0.13 0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.71 4.32 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.32 1.95 0.00 147 H 7.45 4.67 0.00 3.09 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.57 4.24 0.00 1.83 1.65 0.59 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.38 4.69 0.00 1.86 1.82 0.00 3.29 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 150 S 8.75 4.05 0.00 4.12 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 0.00 151 R 7.50 4.64 0.00 1.73 2.02 0.00 3.37 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 152 T 8.56 4.63 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 1.39 0.00 0.00 153 W 8.33 6.30 0.00 3.39 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 0.00 154 Y 8.40 4.64 0.00 1.43 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 0.00 155 V 8.28 4.36 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 0.74 0.00 0.00 0.97 0.00 0.00 156 Q 8.56 4.17 0.00 1.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.73 2.48 0.00 157 A 8.54 4.69 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 0.00 158 T 8.95 4.75 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 1.17 0.00 0.00 159 C 8.99 4.88 0.00 2.95 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 0.00 160 A 9.17 3.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.82 4.02 4.23 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 1.19 0.00 0.00 162 Q 7.96 4.05 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 163 G 8.54 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 0.00 0.00 0.00 0.00 164 T 7.72 4.06 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 1.23 0.00 0.00 165 G 8.97 4.15 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 0.00 166 L 7.94 3.89 0.00 1.92 1.74 0.72 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 167 Y 8.36 4.00 0.00 2.98 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 0.00 168 D 8.60 4.66 0.00 2.93 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 0.00 169 G 8.86 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 0.00 0.00 0.00 170 L 8.71 4.37 0.00 1.76 1.84 1.36 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.65 4.15 0.00 2.94 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 0.00 172 W 8.35 4.13 0.00 3.35 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 0.00 173 L 8.43 3.62 0.00 2.15 2.09 0.94 0.78 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 0.00 174 S 8.71 4.30 0.00 3.79 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 0.00 175 H 8.27 4.05 0.00 3.24 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 E 7.65 3.76 0.00 1.40 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 1.47 1.47 0.00 177 L 7.48 4.52 0.00 1.69 1.57 0.85 0.72 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 0.00 178 S 7.74 4.14 0.00 3.95 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 0.00 179 K 7.80 4.42 0.00 1.73 1.83 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.37 7.81 180 R 7.80 4.06 0.00 1.89 1.96 0.00 3.02 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.