NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2725 8.1693 120.6281 54.5234 43.1514 177.1616 3 S 4.2777 8.4583 119.3333 57.1932 65.2967 173.3736 4 A 4.0249 8.7695 124.5211 54.9993 18.4138 180.8076 5 A 3.9587 7.9194 119.1047 55.0705 18.4710 179.2248 6 D 4.2784 7.7948 117.4727 57.6940 40.9428 179.0185 7 K 3.9108 7.9778 118.5122 59.6590 32.0770 179.6530 8 G 3.5680 7.8192 105.5977 47.7685 0.0000 175.5990 9 N 4.3194 8.4711 119.4578 56.0048 38.5021 177.6877 10 V 3.4656 7.9062 119.7616 65.7659 31.5554 178.0517 11 K 3.8794 7.7572 117.5685 59.6605 32.0251 179.1905 12 A 4.0243 8.0702 120.5923 54.9071 18.2284 179.6512 13 A 3.9516 8.3460 119.6622 55.2682 18.6275 179.7924 14 W 4.3339 8.6879 126.8853 60.0616 30.4711 178.4980 15 G 3.6215 8.1625 105.5479 47.7276 0.0000 175.7192 16 K 4.1522 7.8900 119.8997 58.8653 32.4010 179.3869 17 V 3.7341 7.8194 118.9327 64.6795 31.6008 177.1415 18 G 3.7027 8.0934 105.6801 47.0298 0.0000 175.5231 19 G 3.7147 8.5905 113.6136 46.1946 0.0000 174.2373 20 H 4.0491 7.8196 117.1203 57.3351 28.6319 176.9095 21 A 3.6725 7.6834 122.6258 55.1973 17.8082 179.0950 22 A 3.9070 7.8144 118.3971 55.5647 18.3751 179.4078 23 E 3.9130 7.9245 117.5971 59.5730 29.6129 178.6132 24 Y 4.4763 7.6546 116.6430 60.9133 38.1521 178.2219 25 G 3.7528 8.8637 107.0792 47.6019 0.0000 175.7017 26 A 4.2247 7.8787 122.9118 54.7375 18.4435 179.3991 27 E 3.8340 8.6394 117.8705 59.6108 30.0383 178.6432 28 A 4.1701 8.4361 121.2153 55.4608 18.1359 179.6482 29 L 3.9375 7.6662 116.0106 57.9803 41.9598 178.9068 30 E 4.1152 8.2891 119.0536 59.8415 29.3658 179.3085 31 R 4.0063 8.6310 118.2090 58.9210 29.9796 178.7810 32 M 4.1544 7.4983 117.0683 58.7104 32.1695 178.3092 33 F 4.4804 8.0397 116.1138 59.7933 39.0653 176.9085 34 L 4.3607 7.6543 117.4854 56.7799 41.9883 178.5413 35 S 4.2153 7.5475 114.1002 59.1766 64.3645 174.5005 36 F 4.9098 8.1060 121.1542 53.9274 38.7774 173.6030 37 P 4.5765 0.0000 0.0000 64.9772 30.8583 178.0529 38 T 4.1602 8.0287 109.6369 64.2515 69.1408 176.2976 39 T 4.3291 8.2654 112.9513 64.2189 68.5961 176.1738 40 K 4.7251 8.1561 120.5619 58.2645 31.8300 178.2832 41 T 3.9409 7.6162 108.8614 63.5967 69.2308 175.4935 42 Y 3.9532 8.0448 118.6129 59.7370 38.3170 175.9714 43 F 4.6762 7.4733 118.6719 55.0106 38.5695 172.9643 44 P 4.5366 0.0000 0.0000 65.1158 32.2264 178.4746 45 H 4.4914 8.2407 113.2551 57.5710 29.0292 175.8143 46 F 4.2592 8.0171 118.2781 57.3693 39.2679 174.4314 47 D 4.6151 9.0539 124.0738 53.3106 40.4105 175.7666 48 L 4.4098 8.0975 127.2526 54.6303 42.0169 177.3504 49 S 4.2476 7.2292 117.8949 58.8558 63.3552 174.4759 *50 H 4.1394 8.5953 118.5342 55.4201 28.0728 174.2439 51 G 3.8843 8.3678 116.1689 45.6134 0.0000 173.3384 52 S 4.3285 7.3793 115.1035 58.0183 64.6459 176.1647 53 A 4.0028 8.4359 124.8653 55.2487 18.0981 180.3269 54 Q 3.6281 7.7537 116.0885 58.9943 28.8728 178.7578 55 V 3.7080 7.5674 118.5535 66.0515 31.7286 177.6926 56 K 4.0485 7.9722 118.9055 59.6636 31.8037 179.0020 57 G 3.6921 7.8907 104.7927 47.7916 0.0000 174.9594 58 H 4.6758 8.7883 121.2162 59.1198 29.9304 177.5100 59 G 3.7804 8.7805 107.7143 47.7655 0.0000 175.4409 60 A 4.1160 7.7324 122.0742 54.9643 18.3461 179.8889 61 K 4.0301 8.1786 117.2997 59.3534 32.0799 179.8376 62 V 3.5555 7.7442 117.8747 66.0840 31.6080 177.7824 63 A 4.3858 7.9961 120.0340 55.1974 18.1676 179.4046 64 A 4.0461 8.0322 119.0038 55.4656 18.5399 179.8158 65 A 4.0981 8.1785 119.1720 54.9915 18.3314 179.9554 66 L 3.9537 8.4890 118.3083 58.3218 41.7056 179.5598 67 T 4.0471 8.5593 116.1077 66.7368 68.5461 176.3820 68 K 4.0142 8.1006 120.8289 59.5524 31.9944 178.7230 69 A 4.1078 7.6496 119.6380 55.1859 18.3740 179.5011 70 V 3.4152 7.7843 116.1446 65.9501 31.6371 177.7682 71 E 4.1549 8.1712 116.9545 57.7175 30.2335 176.6695 72 H 5.0140 7.8009 115.9927 54.7947 28.8448 175.3065 73 L 4.3006 7.7273 119.2856 57.3799 42.3841 178.8864 74 D 4.5685 8.0451 117.3094 55.6903 41.8537 176.0697 75 D 4.8942 7.4226 118.3384 51.9399 41.1695 175.7745 76 L 4.0532 7.8283 123.5038 57.0000 42.0085 176.9594 77 P 4.2083 0.0000 0.0000 65.4088 31.1195 178.6129 78 G 4.0173 8.3779 105.1097 47.3530 0.0000 175.5910 79 A 4.1017 7.7205 121.9217 54.0129 18.5714 178.7139 80 L 4.5956 7.8160 115.8861 54.9628 42.0566 178.6118 81 S 4.5252 7.6984 117.3590 61.0419 62.0749 175.8256 82 E 3.9894 8.1091 121.4772 58.9714 29.4842 178.4895 83 L 4.2167 7.9105 118.7548 57.6890 41.4926 179.3835 84 S 4.1602 8.3660 115.4474 61.4562 62.6159 175.8391 85 D 4.3161 7.7658 120.9416 57.7998 40.8310 178.0622 86 L 4.0786 7.6334 119.2906 58.3329 42.0895 178.4576 87 H 4.2659 8.7750 115.8050 58.4140 27.2008 177.6414 88 A 4.1207 8.2766 122.3955 54.9629 18.8627 179.0188 89 H 4.2389 8.0102 114.5697 59.0037 30.2453 177.0205 90 K 4.1988 7.5713 119.0737 59.2319 32.3619 178.5283 91 L 4.0622 8.3630 118.4750 55.7334 42.3931 177.5785 92 R 3.9256 7.2792 115.3248 57.1540 27.7203 176.8309 93 V 4.0187 7.6784 116.4462 62.2311 32.8839 175.0000 94 D 4.5295 9.4184 127.6704 53.5785 41.7503 175.2681 95 P 4.3721 0.0000 0.0000 65.8914 31.2435 179.0940 96 V 3.6857 7.9177 111.0902 64.2486 31.2481 178.2732 97 N 4.2187 8.1658 116.5630 56.0667 38.2926 177.3667 98 F 3.7740 8.1842 118.7225 60.5382 39.0632 177.6642 99 K 4.0886 7.9473 117.6148 59.4940 31.7685 179.4325 100 L 3.6867 7.6976 119.3503 57.3406 41.3233 179.2277 101 L 3.9186 7.9772 120.7372 57.8621 42.0663 178.9794 102 S 4.1221 8.4675 115.7026 62.1115 62.6880 176.3378 103 H 4.3005 8.4383 120.7772 59.2853 29.5497 177.5162 104 S 4.1075 8.1740 117.2472 61.4091 62.6785 176.3960 105 L 4.0470 8.2911 123.4331 58.0494 41.3833 178.9220 106 L 4.1817 7.9743 118.4676 57.0423 41.4679 179.7200 107 V 3.4115 7.2704 118.8465 66.1542 31.6221 177.9593 108 T 3.8673 7.4986 115.0369 66.8578 68.4530 176.5973 109 L 3.8046 7.8639 120.1424 57.0272 41.3262 179.5664 110 A 3.1091 6.5657 119.5130 54.7910 18.3967 179.5090 111 S 4.0594 7.5605 111.4214 61.8528 63.1357 176.0258 112 H 4.4619 7.6100 118.3374 56.5828 29.6833 175.6230 113 L 4.6957 7.4889 121.7759 52.1899 41.4721 174.8861 114 P 4.3817 0.0000 0.0000 65.0465 32.2608 178.9697 115 S 4.3128 8.1036 114.1308 60.8073 63.0125 174.6765 116 D 4.6413 7.9841 118.3250 55.5422 41.7641 177.1604 117 F 4.3653 7.6936 123.0449 57.4103 37.5887 175.2338 118 T 4.3112 7.3601 115.0409 60.1802 71.6618 173.6500 119 P 4.1348 0.0000 0.0000 65.9030 30.9764 178.6643 120 A 3.9162 7.9032 118.7866 55.3657 18.2829 179.7870 121 V 3.4480 7.3361 115.8093 65.9563 31.5172 177.4838 122 H 3.4276 8.4411 118.2803 59.3046 29.7445 177.1364 123 A 4.0796 7.9464 122.1917 55.0019 18.1075 179.9458 124 S 4.1758 7.6510 113.5439 61.8612 62.9439 176.8135 125 L 4.1466 8.1237 121.9244 57.8077 41.3355 179.1288 126 D 4.3717 8.2506 118.1102 57.3835 40.9613 178.4934 127 K 4.1034 8.1362 118.6217 58.7806 31.9670 179.3274 128 F 4.2964 8.2926 121.4171 61.3067 39.4702 177.3899 129 L 3.4703 8.1823 118.5931 57.4586 41.3453 179.3474 130 A 3.9489 7.8897 120.7348 55.3606 18.0593 179.4952 131 N 4.2755 7.7079 113.4634 55.9940 38.5781 178.0258 132 V 3.4061 7.5174 120.0037 65.8823 31.5610 178.1990 133 S 3.8178 8.3316 115.2874 61.8966 62.4110 176.9026 134 T 3.7068 7.5048 117.3781 66.2790 68.4578 176.6589 135 V 3.6085 7.2873 119.9615 66.1180 31.4159 178.2181 136 L 4.2515 7.7912 118.3613 56.2412 41.3914 178.3226 137 T 4.4162 7.0688 108.5190 60.4230 69.7859 174.1594 138 S 4.7502 7.4274 116.6693 57.5366 65.4704 175.3579 139 K 4.3198 8.5389 126.0432 55.2372 30.7004 175.6887 140 Y 4.4894 7.8623 118.5302 55.5239 39.4711 177.1172 141 R 3.8009 7.5223 122.1508 56.7476 31.0274 175.7500 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 L 8.17 4.27 0.00 1.66 1.71 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.46 4.28 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 4 A 8.77 4.02 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 5 A 7.92 3.96 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 6 D 7.79 4.28 0.00 2.95 2.74 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 7 K 7.98 3.91 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 8 G 7.82 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.47 4.32 0.00 2.93 2.83 0.00 0.00 6.68 7.28 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 10 V 7.91 3.47 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 0.23 0.00 0.00 0.82 0.00 0.00 11 K 7.76 3.88 0.00 1.98 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 12 A 8.07 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.35 3.95 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 14 W 8.69 4.33 0.00 3.46 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 15 G 8.16 3.62 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 0.00 0.00 0.00 16 K 7.89 4.15 0.00 2.07 1.93 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.80 7.81 17 V 7.82 3.73 1.61 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 0.53 0.00 0.00 0.85 0.00 0.00 18 G 8.09 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 19 G 8.59 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 20 H 7.82 4.05 0.00 2.96 2.12 0.00 5.66 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 21 A 7.68 3.67 1.05 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 22 A 7.81 3.91 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 23 E 7.92 3.91 0.00 1.97 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 2.36 2.35 0.00 24 Y 7.65 4.48 0.00 3.08 2.85 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 25 G 8.86 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 0.00 0.00 0.00 26 A 7.88 4.22 1.42 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 0.00 0.00 27 E 8.64 3.83 0.00 2.14 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 0.00 2.33 2.37 0.00 28 A 8.44 4.17 1.40 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 0.00 0.00 29 L 7.67 3.94 0.00 2.11 2.04 1.06 0.72 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 30 E 8.29 4.12 0.00 2.28 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 2.44 0.00 31 R 8.63 4.01 0.00 1.85 1.95 0.00 3.15 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 32 M 7.50 4.15 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.33 0.00 33 F 8.04 4.48 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 34 L 7.65 4.36 0.00 1.82 1.69 0.98 1.05 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 35 S 7.55 4.22 0.00 2.99 2.84 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 0.00 0.00 0.00 36 F 8.11 4.91 0.00 3.00 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 37 P 0.00 4.58 0.00 2.33 2.37 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 38 T 8.03 4.16 4.33 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 1.28 0.00 0.00 39 T 8.27 4.33 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 40 K 8.16 4.73 0.00 2.08 2.04 0.00 1.99 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.94 1.83 7.81 41 T 7.62 3.94 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 1.28 0.00 0.00 42 Y 8.04 3.95 0.00 3.06 2.60 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 43 F 7.47 4.68 0.00 2.85 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 44 P 0.00 4.54 0.00 2.22 2.20 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 45 H 8.24 4.49 0.00 3.41 3.55 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.02 4.26 0.00 3.03 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 47 D 9.05 4.62 0.00 2.47 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.41 0.00 1.56 1.43 0.89 -0.07 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 49 S 7.23 4.25 0.00 3.83 3.80 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 0.00 0.00 0.00 *50 H 8.60 4.14 0.00 2.93 2.89 0.00 7.34 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.37 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 0.00 0.00 0.00 52 S 7.38 4.33 0.00 3.83 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 53 A 8.44 4.00 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 54 Q 7.75 3.63 0.00 1.74 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 55 V 7.57 3.71 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 1.09 0.00 0.00 0.90 0.00 0.00 56 K 7.97 4.05 0.00 1.88 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.61 7.81 57 G 7.89 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 0.00 0.00 0.00 58 H 8.79 4.68 0.00 3.64 3.67 0.00 5.80 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 59 G 8.78 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 60 A 7.73 4.12 1.44 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 0.00 0.00 61 K 8.18 4.03 0.00 2.00 1.93 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.69 7.81 62 V 7.74 3.56 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 1.10 0.00 0.00 0.95 0.00 0.00 63 A 8.00 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.03 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.18 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 3.95 0.00 2.11 1.44 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.56 4.05 4.57 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 1.46 0.00 0.00 68 K 8.10 4.01 0.00 1.88 2.11 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.56 7.81 69 A 7.65 4.11 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 70 V 7.78 3.42 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 0.71 0.00 0.00 0.06 0.00 0.00 71 E 8.17 4.15 0.00 2.12 1.90 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 2.35 2.47 0.00 72 H 7.80 5.01 0.00 3.38 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.73 4.30 0.00 1.63 1.74 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.05 4.57 0.00 2.67 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 75 D 7.42 4.89 0.00 2.88 2.52 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 76 L 7.83 4.05 0.00 1.68 1.65 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.21 0.00 1.83 1.52 0.00 3.55 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 1.86 1.92 0.00 78 G 8.38 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 79 A 7.72 4.10 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 80 L 7.82 4.60 0.00 1.84 1.72 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.70 4.53 0.00 4.29 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.11 3.99 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 83 L 7.91 4.22 0.00 1.95 1.82 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.37 4.16 0.00 3.97 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 85 D 7.77 4.32 0.00 2.72 2.80 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 0.00 0.00 0.00 86 L 7.63 4.08 0.00 1.84 1.75 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.77 4.27 0.00 3.48 3.58 0.00 5.85 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 88 A 8.28 4.12 1.44 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 0.00 0.00 89 H 8.01 4.24 0.00 3.14 3.42 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.57 4.20 0.00 1.91 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.61 7.81 91 L 8.36 4.06 0.00 1.81 1.81 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.28 3.93 0.00 2.03 2.00 0.00 3.16 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 93 V 7.68 4.02 2.29 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 0.22 0.00 0.00 0.97 0.00 0.00 94 D 9.42 4.53 0.00 2.83 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 95 P 0.00 4.37 0.00 2.18 2.03 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 96 V 7.92 3.69 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 0.76 0.00 0.00 0.96 0.00 0.00 97 N 8.17 4.22 0.00 2.62 2.58 0.00 0.00 6.89 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 98 F 8.18 3.77 0.00 3.19 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 99 K 7.95 4.09 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 100 L 7.70 3.69 0.00 1.58 1.10 0.33 -0.38 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 0.00 101 L 7.98 3.92 0.00 1.53 1.62 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.47 4.12 0.00 3.98 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 0.00 103 H 8.44 4.30 0.00 3.26 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.17 4.11 0.00 4.05 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 0.00 105 L 8.29 4.05 0.00 1.85 1.93 1.15 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.97 4.18 0.00 1.95 1.79 1.04 0.97 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 0.00 107 V 7.27 3.41 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 0.93 0.00 0.00 0.84 0.00 0.00 108 T 7.50 3.87 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 1.17 0.00 0.00 109 L 7.86 3.80 0.00 1.65 1.81 1.33 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 110 A 6.57 3.11 0.80 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 0.00 0.00 0.00 0.00 0.00 111 S 7.56 4.06 0.00 3.88 3.84 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 0.00 0.00 0.00 112 H 7.61 4.46 0.00 2.75 3.18 0.00 5.59 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 0.00 113 L 7.49 4.70 0.00 1.91 1.63 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.38 0.00 2.19 2.15 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 115 S 8.10 4.31 0.00 3.91 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 0.00 116 D 7.98 4.64 0.00 2.75 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 0.00 117 F 7.69 4.37 0.00 3.21 3.02 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 0.00 118 T 7.36 4.31 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 1.22 0.00 0.00 119 P 0.00 4.13 0.00 2.16 2.15 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 120 A 7.90 3.92 1.28 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 0.00 0.00 0.00 121 V 7.34 3.45 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 0.90 0.00 0.00 0.93 0.00 0.00 122 H 8.44 3.43 0.00 2.91 3.32 0.00 5.66 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 0.00 123 A 7.95 4.08 1.37 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 0.00 0.00 124 S 7.65 4.18 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.12 4.15 0.00 1.78 1.87 1.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.25 4.37 0.00 3.00 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 0.00 127 K 8.14 4.10 0.00 2.14 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 128 F 8.29 4.30 0.00 3.06 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 0.00 129 L 8.18 3.47 0.00 1.69 1.62 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.89 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.71 4.28 0.00 2.87 2.79 0.00 0.00 6.69 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 0.00 132 V 7.52 3.41 1.69 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 0.87 0.00 0.00 0.19 0.00 0.00 133 S 8.33 3.82 0.00 3.90 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 0.00 134 T 7.50 3.71 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 1.11 0.00 0.00 135 V 7.29 3.61 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 1.09 0.00 0.00 0.84 0.00 0.00 136 L 7.79 4.25 0.00 1.25 1.71 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.07 4.42 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 0.70 0.00 0.00 138 S 7.43 4.75 0.00 4.10 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 0.00 139 K 8.54 4.32 0.00 1.75 1.77 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 140 Y 7.86 4.49 0.00 3.12 3.12 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 0.00 141 R 7.52 3.80 0.00 2.20 1.88 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.