NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5692 8.3344 115.4155 57.6602 65.2547 173.5748 3 N 4.7818 7.6292 119.7088 50.5274 41.3380 172.0276 4 T 4.3592 9.3951 123.9551 63.8479 70.1079 173.6800 5 L 5.0269 8.1412 122.8849 54.1379 43.6021 175.9426 6 F 4.6401 7.9633 118.5086 57.7191 42.7232 172.2542 7 D 4.9867 7.3657 124.0338 53.7375 43.9172 173.4998 8 D 4.4259 8.5217 123.2923 53.8346 45.9209 173.9671 9 I 5.0352 7.9093 122.6040 59.6713 39.8099 175.0314 10 F 5.3433 9.4790 125.2826 55.7111 43.0213 174.0502 11 Q 5.4686 8.8688 120.4472 53.1146 32.3776 174.4487 12 V 4.1052 8.4590 126.3056 63.4460 32.1209 176.0567 13 S 4.3328 9.3740 123.8733 60.5464 63.2841 173.8231 14 E 4.7079 7.9033 118.4158 54.8683 33.1841 173.8428 15 V 4.4143 8.4055 125.9595 61.6481 32.8417 174.7397 16 D 4.7926 8.9630 129.8893 52.2292 42.8059 172.5733 17 P 4.9171 0.0000 0.0000 60.6730 31.3090 174.5663 18 G 4.0507 8.5807 117.3845 47.5552 0.0000 170.2136 19 R 3.7376 7.9984 119.3299 57.4215 29.1392 174.7969 20 Y 4.7408 7.2561 112.1368 56.5640 38.9650 175.5337 21 N 4.7925 8.8892 120.7901 53.7596 39.8426 175.6702 22 K 4.6131 8.1302 115.9588 55.8984 35.5501 175.9758 23 V 4.8989 7.8657 118.6801 61.0349 34.2862 174.4824 24 C 5.0369 9.0083 124.9215 57.9004 31.7241 173.0625 25 R 4.5649 8.9013 125.0512 55.4570 30.8675 174.7744 26 I 4.5855 8.6713 128.8094 60.1199 39.8194 173.8698 27 E 4.8956 8.9650 130.7532 54.7497 31.0244 174.3717 28 A 5.6108 9.4827 128.1555 49.6425 23.3005 174.3719 29 A 5.3458 8.5669 120.6401 49.8779 22.8839 175.8226 30 S 3.9855 8.7131 114.6325 58.6184 62.7627 174.3563 31 T 4.2266 8.0771 120.0864 65.8541 69.0275 177.0141 32 T 4.0302 7.7488 116.9265 65.3410 68.6570 174.8371 33 Q 4.6475 7.7148 120.0868 54.2369 30.9180 175.5866 34 D 5.4116 8.4106 123.2708 53.9351 41.2981 176.6638 35 Q 4.4788 7.6351 115.1885 56.7320 33.6772 173.4492 36 C 4.4804 7.7219 120.4359 59.1006 31.7660 172.8695 37 K 4.9123 8.5246 126.0084 55.6134 34.5942 175.6839 38 L 4.5157 8.3052 121.5962 54.6698 46.3150 173.7881 39 T 4.9724 8.8047 122.7396 61.7566 71.7954 172.5566 40 L 5.1341 8.5753 128.6059 53.0430 45.5334 175.0899 41 D 5.0559 8.7931 126.5392 54.1954 41.5856 175.9508 42 I 4.4970 8.5893 123.6309 59.2876 41.6380 174.6916 43 N 5.0768 10.2242 126.3659 53.1472 38.2902 175.7289 44 V 3.9038 8.7004 127.2379 64.2428 31.7176 177.6867 45 E 4.0426 8.4678 121.8415 59.1545 29.4849 177.5266 46 L 4.1250 8.1048 118.0383 56.2714 42.0765 177.6099 47 F 4.6974 8.2093 128.6632 55.5688 38.8437 171.8642 48 P 4.3641 0.0000 0.0000 61.6643 31.9214 176.4550 49 V 3.9536 8.1491 122.8723 60.9274 32.9934 174.5781 50 A 4.6949 8.0527 128.1212 49.8252 21.5233 176.1921 51 A 4.0734 8.2695 122.2069 53.2422 19.5422 177.6578 52 Q 3.5609 8.6055 118.5399 57.2585 26.6132 173.4315 53 D 5.0494 7.4621 117.2892 52.2536 45.3101 176.6518 54 S 4.8432 8.8487 118.6272 57.8561 63.9510 173.4715 55 L 5.1273 8.9569 125.0725 52.9617 45.3960 176.2698 56 T 4.7227 9.0129 121.0325 63.4493 69.7467 173.8598 57 V 5.0055 9.2041 125.3751 61.5182 34.8397 174.3008 58 T 5.0959 8.8027 123.6790 61.5180 71.9080 173.2348 59 I 3.9746 9.1237 126.7467 58.1931 36.4207 174.4586 60 A 4.0321 8.2716 129.3785 51.3455 19.5885 177.8750 61 S 4.3706 8.5418 114.8824 59.9470 63.1354 177.1085 62 S 4.9491 8.5528 120.7330 57.6828 61.8734 174.6479 63 L 4.5209 8.1868 112.0628 55.7802 45.1224 177.6109 64 N 4.8127 8.2820 114.6217 56.7286 38.6687 174.7637 *76 T 4.1578 7.4418 106.0551 61.4208 69.8059 173.7086 77 R 4.2454 8.1883 121.8208 54.9284 31.4961 175.9807 78 S 4.1798 8.5876 113.3048 58.3505 61.0628 172.5705 79 W 4.1293 8.2981 134.8787 57.3081 30.9842 175.4012 80 R 4.4498 7.0363 123.6494 53.1896 32.1965 174.0516 81 P 4.2892 0.0000 0.0000 61.7739 32.0759 174.8745 82 P 4.2102 0.0000 0.0000 66.1802 30.7582 178.1580 83 Q 3.3873 8.0126 114.6166 55.4775 26.1700 173.6053 84 A 4.0413 7.9054 119.0978 52.2337 18.8941 178.7713 85 G 4.4791 7.9351 117.1217 45.6964 0.0000 173.7383 86 D 4.3198 7.3466 125.2021 53.1174 42.0071 174.6340 87 R 4.6690 8.1715 124.3498 54.1375 33.8780 176.9607 88 S 4.4430 8.2390 116.0971 57.1297 60.8828 172.8095 89 L 4.8870 7.4298 121.3734 52.8418 44.8321 176.0913 90 A 4.6897 8.1286 122.3027 52.4030 19.2762 178.9718 91 D 4.5428 8.0932 119.7536 56.9813 39.5589 178.4033 92 D 4.7465 7.6279 119.0232 54.6599 39.9314 175.5462 93 Y 4.8507 8.4907 116.0274 56.1649 41.6680 175.7048 94 D 4.5256 8.9393 122.2988 56.8246 41.9318 176.0675 95 Y 4.2422 8.4738 120.8916 55.4798 40.9366 174.6725 96 V 4.9182 8.2741 126.3124 61.4821 33.9401 174.4117 97 M 5.0088 9.1527 126.0198 53.8179 36.5310 173.2739 98 Y 5.0034 8.7265 121.9057 56.1314 41.9859 174.7021 99 G 4.0935 8.2603 112.6511 45.4632 0.0000 171.1815 100 T 5.0486 8.5408 114.6850 60.2384 72.3241 173.7085 101 A 3.8212 8.0879 127.8538 52.0062 18.4521 175.8894 102 Y 4.6214 8.4935 120.5196 57.7282 40.3116 176.1998 103 K 4.4129 6.7713 120.6928 53.8877 35.2616 174.8173 104 F 5.3142 8.4885 124.6149 55.4678 38.9011 174.1057 105 E 4.2032 8.9915 124.6033 55.0201 31.4518 175.4860 106 E 4.8096 7.8411 119.6321 53.6114 29.4119 177.6901 107 V 3.6258 7.6065 112.2021 62.5262 30.7492 177.4377 108 S 3.3190 9.0832 120.1754 58.3315 62.0345 170.3893 109 K 4.0418 8.0098 119.9596 56.0016 31.7292 174.1847 110 D 4.5250 7.9266 119.9773 52.9805 43.5815 176.3947 111 L 4.0652 7.5108 121.1656 55.7999 43.0752 176.0178 112 I 4.7918 8.4556 121.4941 59.0904 41.6581 173.9372 113 A 5.2405 8.7924 129.6723 49.3247 21.5167 175.4878 114 V 3.8724 8.0488 115.5729 61.1183 33.7469 175.0363 115 Y 4.7916 7.7579 121.8195 56.2334 40.6179 174.3010 116 Y 4.9214 8.8863 121.8921 56.0592 41.9519 174.9185 117 S 4.6566 8.8189 117.0291 56.8082 65.6618 173.1034 118 F 4.9791 8.5411 128.7857 56.3454 37.2656 176.2735 119 G 4.1016 8.8370 115.4498 45.9821 0.0000 172.7035 120 G 4.0024 7.7609 104.5991 45.2219 0.0000 173.1000 121 L 4.2967 8.1740 119.7317 54.4281 42.6413 175.7361 122 L 5.4197 8.6100 121.4272 53.5815 45.1219 175.1590 123 M 5.3948 8.9668 119.9397 54.3596 36.4602 173.5829 124 R 4.6001 8.8005 124.2116 54.4961 34.1220 173.5272 125 L 5.1815 8.2657 126.3516 52.5784 46.3522 174.2148 126 E 5.2344 7.3538 118.6694 56.9871 33.4869 177.1361 127 G 4.0607 9.3092 117.2458 45.3728 0.0000 174.0898 128 N 4.9331 10.3376 116.1414 54.4036 36.9414 171.6986 129 Y 4.9969 6.9640 113.8039 57.8590 44.4554 176.0905 130 R 4.6308 7.5150 119.1900 56.1647 30.5760 178.0399 131 N 4.5343 8.1895 118.9260 56.1841 38.9472 177.5295 132 L 4.1143 7.9772 117.1254 57.5883 42.1920 177.9698 133 N 4.4343 8.0547 114.3361 56.3007 38.7559 175.1990 134 N 4.5175 8.8165 118.4667 53.6119 38.4565 174.9900 135 L 4.6951 8.3877 123.3138 53.2120 43.7706 177.0956 136 K 3.9713 8.3731 118.8628 56.6720 30.3163 177.0556 137 Q 4.5185 7.5302 118.0956 54.0451 29.7208 174.7818 138 E 3.6757 8.4157 118.0194 58.4935 30.0328 175.3536 139 N 4.0504 7.1152 123.1907 51.0004 39.4790 174.3910 140 A 4.3762 7.9525 129.3779 51.0739 20.7922 174.2588 141 Y 5.2095 8.1029 122.8600 56.6881 36.1971 174.8478 142 L 4.1530 8.3126 123.3627 55.3910 43.7950 176.0341 143 L 5.2133 8.8169 126.2756 52.9098 45.1760 175.6151 144 I 5.8368 9.0013 123.2745 58.4637 41.1092 174.5835 145 R 4.8942 8.8082 122.1528 55.4912 33.1993 175.7742 146 R 4.3245 9.0181 118.5519 56.7064 29.5304 176.0769 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 4.57 0.00 4.02 4.08 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 0.00 0.00 0.00 0.00 3 N 7.63 4.78 0.00 2.79 2.69 0.00 0.00 7.33 6.34 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 4 T 9.40 4.36 4.29 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 1.27 0.00 0.00 5 L 8.14 5.03 0.00 1.58 1.75 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.96 4.64 0.00 3.10 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 7 D 7.37 4.99 0.00 2.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.52 4.43 0.00 2.44 2.48 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 9 I 7.91 5.04 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 1.02 0.00 0.00 10 F 9.48 5.34 0.00 2.95 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 11 Q 8.87 5.47 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 12 V 8.46 4.11 2.26 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 1.02 0.00 0.00 1.01 0.00 0.00 13 S 9.37 4.33 0.00 3.89 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 14 E 7.90 4.71 0.00 2.05 1.72 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 2.29 2.32 0.00 15 V 8.41 4.41 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 0.86 0.00 0.00 0.98 0.00 0.00 16 D 8.96 4.79 0.00 2.96 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 17 P 0.00 4.92 0.00 2.33 2.26 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 18 G 8.58 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 0.00 0.00 0.00 19 R 8.00 3.74 0.00 1.79 1.77 0.00 3.32 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 20 Y 7.26 4.74 0.00 3.22 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 21 N 8.89 4.79 0.00 2.75 2.89 0.00 0.00 6.87 7.61 0.00 0.00 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 K 8.13 4.61 0.00 1.70 1.81 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.42 7.81 23 V 7.87 4.90 1.73 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 0.53 0.00 0.00 0.90 0.00 0.00 24 C 9.01 5.04 0.00 2.88 2.79 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 25 R 8.90 4.56 0.00 1.91 1.85 0.00 3.11 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 26 I 8.67 4.59 1.83 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 1.10 1.08 0.91 0.00 0.00 27 E 8.96 4.90 0.00 2.14 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 2.23 2.30 0.00 28 A 9.48 5.61 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 A 8.57 5.35 1.27 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 0.00 0.00 30 S 8.71 3.99 0.00 3.31 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.23 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 32 T 7.75 4.03 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 1.10 0.00 0.00 33 Q 7.71 4.65 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 34 D 8.41 5.41 0.00 2.66 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 35 Q 7.64 4.48 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.15 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 36 C 7.72 4.48 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.52 4.91 0.00 1.76 1.71 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.46 7.81 38 L 8.31 4.52 0.00 1.50 1.41 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.80 4.97 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 1.23 0.00 0.00 40 L 8.58 5.13 0.00 1.57 1.28 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.79 5.06 0.00 2.75 2.55 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 42 I 8.59 4.50 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.49 1.16 0.00 0.00 43 N 10.22 5.08 0.00 2.79 2.82 0.00 0.00 6.89 5.12 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 44 V 8.70 3.90 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 0.71 0.00 0.00 0.94 0.00 0.00 45 E 8.47 4.04 0.00 1.97 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 0.00 2.30 2.34 0.00 46 L 8.10 4.13 0.00 1.85 1.61 0.85 0.59 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 47 F 8.21 4.70 0.00 2.82 3.08 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 0.00 0.00 0.00 0.00 48 P 0.00 4.36 0.00 2.09 2.08 0.00 3.32 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.14 0.00 49 V 8.15 3.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 50 A 8.05 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 51 A 8.27 4.07 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 52 Q 8.61 3.56 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 53 D 7.46 5.05 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.85 4.84 0.00 3.92 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 55 L 8.96 5.13 0.00 1.74 1.69 1.08 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 56 T 9.01 4.72 4.46 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 1.40 0.00 0.00 57 V 9.20 5.01 2.30 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 0.83 0.00 0.00 0.86 0.00 0.00 58 T 8.80 5.10 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 1.21 0.00 0.00 59 I 9.12 3.97 1.94 0.00 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 0.94 0.33 0.82 0.00 0.00 60 A 8.27 4.03 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 61 S 8.54 4.37 0.00 4.12 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 62 S 8.55 4.95 0.00 3.95 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.19 4.52 0.00 1.40 1.57 0.28 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.28 4.81 0.00 2.71 2.85 0.00 0.00 7.26 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 *76 T 7.44 4.16 4.28 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 0.00 0.00 0.00 1.20 0.00 0.00 77 R 8.19 4.25 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 78 S 8.59 4.18 0.00 3.86 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 79 W 8.30 4.13 0.00 3.27 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 80 R 7.04 4.45 0.00 1.43 1.50 0.00 3.16 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 81 P 0.00 4.29 0.00 2.08 2.01 0.00 3.69 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 2.00 2.11 0.00 82 P 0.00 4.21 0.00 2.18 2.25 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 83 Q 8.01 3.39 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 84 A 7.91 4.04 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 85 G 7.94 4.48 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 0.00 86 D 7.35 4.32 0.00 2.58 2.54 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 87 R 8.17 4.67 0.00 1.77 1.75 0.00 3.36 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 88 S 8.24 4.44 0.00 3.83 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 89 L 7.43 4.89 0.00 1.88 1.49 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.13 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 91 D 8.09 4.54 0.00 2.87 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 92 D 7.63 4.75 0.00 2.74 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 93 Y 8.49 4.85 0.00 2.79 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 94 D 8.94 4.53 0.00 2.63 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 95 Y 8.47 4.24 0.00 2.19 2.36 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 96 V 8.27 4.92 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 1.03 0.00 0.00 0.96 0.00 0.00 97 M 9.15 5.01 0.00 1.38 1.53 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.48 0.00 98 Y 8.73 5.00 0.00 2.82 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 99 G 8.26 4.09 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 0.00 0.00 0.00 100 T 8.54 5.05 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 101 A 8.09 3.82 1.04 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 0.00 0.00 102 Y 8.49 4.62 0.00 2.84 2.89 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 0.00 103 K 6.77 4.41 0.00 1.26 0.74 0.00 0.75 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.13 7.81 104 F 8.49 5.31 0.00 2.72 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 0.00 105 E 8.99 4.20 0.00 2.11 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 2.32 2.23 0.00 106 E 7.84 4.81 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 107 V 7.61 3.63 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 0.80 0.00 0.00 1.00 0.00 0.00 108 S 9.08 3.32 0.00 3.98 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 0.00 109 K 8.01 4.04 0.00 1.92 1.71 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 110 D 7.93 4.52 0.00 2.78 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 0.00 111 L 7.51 4.07 0.00 1.98 1.73 0.96 0.57 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 I 8.46 4.79 1.90 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 1.36 1.55 0.91 0.00 0.00 113 A 8.79 5.24 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.05 3.87 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.88 0.00 0.00 115 Y 7.76 4.79 0.00 2.09 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 0.00 116 Y 8.89 4.92 0.00 2.66 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 0.00 0.00 0.00 117 S 8.82 4.66 0.00 3.55 3.45 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 0.00 118 F 8.54 4.98 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.84 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 0.00 0.00 0.00 120 G 7.76 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 0.00 121 L 8.17 4.30 0.00 1.98 1.72 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.61 5.42 0.00 1.77 1.66 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.97 5.39 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 124 R 8.80 4.60 0.00 1.37 1.36 0.00 2.98 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 125 L 8.27 5.18 0.00 1.53 1.25 0.46 0.10 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 0.00 126 E 7.35 5.23 0.00 1.84 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 0.00 2.34 2.11 0.00 127 G 9.31 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 0.00 0.00 0.00 128 N 10.34 4.93 0.00 2.78 3.29 0.00 0.00 7.15 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 0.00 129 Y 6.96 5.00 0.00 3.06 2.97 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 0.00 0.00 0.00 130 R 7.51 4.63 0.00 1.95 2.06 0.00 2.45 0.00 0.00 2.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.64 0.00 131 N 8.19 4.53 0.00 2.79 2.90 0.00 0.00 7.02 6.74 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 0.00 132 L 7.98 4.11 0.00 1.66 1.75 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.05 4.43 0.00 2.81 3.13 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.82 4.52 0.00 2.94 2.96 0.00 0.00 7.11 7.94 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 0.00 135 L 8.39 4.70 0.00 1.82 1.61 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.37 3.97 0.00 1.53 1.45 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.49 0.97 7.81 137 Q 7.53 4.52 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 138 E 8.42 3.68 0.00 1.99 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 2.30 2.24 0.00 139 N 7.12 4.05 0.00 2.86 2.78 0.00 0.00 6.67 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 0.00 140 A 7.95 4.38 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 0.00 141 Y 8.10 5.21 0.00 3.08 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 0.00 142 L 8.31 4.15 0.00 1.66 1.33 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.82 5.21 0.00 0.73 0.36 0.79 0.74 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 0.00 144 I 9.00 5.84 1.68 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.53 0.99 0.00 0.00 145 R 8.81 4.89 0.00 1.83 2.04 0.00 2.74 0.00 0.00 2.86 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 146 R 9.02 4.32 0.00 2.04 2.25 0.00 3.27 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 1.53 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.