NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3909 8.1933 115.2860 58.2627 64.8258 175.7221 3 T 3.6454 7.9962 117.2540 66.7549 68.2737 174.4359 4 T 3.8236 8.3444 118.9947 66.8417 68.8157 175.9538 5 A 3.9365 7.8434 121.8121 55.0712 18.4408 179.1610 6 N 3.3372 7.7786 114.6487 56.1311 38.5323 177.6527 7 K 3.9041 7.8965 119.6664 59.6747 32.2417 179.2808 8 E 3.9896 8.1740 118.6737 59.3668 29.0856 179.6653 9 R 3.9753 7.8575 117.8375 59.3660 30.1666 178.4801 10 C 4.4299 8.0535 115.8000 62.9220 28.4158 175.9134 11 L 4.2206 8.0359 120.5698 57.4133 41.1278 179.2531 12 E 4.3204 7.8427 117.3172 56.5846 29.4184 179.1615 *14 V 4.1440 7.8249 120.1036 63.0102 33.6140 177.1359 15 A 3.9435 8.1688 121.1683 55.1186 18.0346 179.5023 16 A 3.8706 8.1982 119.2448 55.0588 18.4462 179.7153 17 W 4.1374 8.2465 116.9926 60.1912 28.9999 178.0410 18 N 4.3446 8.3206 114.2203 54.8627 38.1203 176.5601 19 R 3.7660 7.3078 118.0436 54.6567 30.5112 176.0372 20 W 3.8807 7.5558 117.6042 58.0707 27.2917 174.5122 21 D 4.7422 7.7938 119.5683 51.8103 40.4334 176.1793 22 V 3.1471 7.9104 124.6995 65.3780 31.6791 177.2753 23 S 4.0422 7.9021 113.4291 60.8976 62.7336 176.4639 24 G 3.4944 7.7038 108.5198 47.3384 0.0000 175.7482 25 V 3.6114 7.1296 119.9205 65.9160 31.7707 178.1073 26 V 2.0000 7.1050 117.5802 65.2374 30.8639 177.5382 27 A 4.1060 7.5527 119.7060 55.3210 18.3868 178.5767 28 H 4.4550 8.2407 113.1828 56.0908 29.1237 175.6181 29 W 4.7959 7.8171 121.6040 56.1815 29.9424 176.0984 30 A 4.3787 8.8452 125.1030 51.0287 18.7723 176.8566 31 P 4.3143 0.0000 0.0000 65.2644 31.4195 177.3531 32 D 4.9240 7.7044 115.6309 52.3553 39.8621 176.2594 33 V 3.5206 7.0819 112.0681 63.1060 32.4591 175.9738 34 V 3.9102 8.0158 123.6042 61.1552 34.1213 173.7656 35 H 4.7544 8.0076 124.2999 54.1505 30.9978 172.8465 36 Y 5.1555 8.4382 121.7763 56.4057 40.9366 176.1404 37 D 4.8802 8.3388 121.9592 52.3533 42.1926 176.2291 38 D 4.4478 8.9548 117.6100 58.0963 40.7891 177.2314 39 E 4.4047 8.3422 115.5131 56.0219 29.4059 175.9648 40 D 4.5272 8.0004 115.9850 55.1044 39.2680 173.4220 41 K 4.5834 8.7309 120.7293 54.7440 33.1546 174.8969 42 P 4.5902 0.0000 0.0000 63.2458 31.7436 175.7255 43 V 4.6514 8.3439 121.8959 60.8328 34.8141 175.3422 44 S 4.2768 8.6244 119.9927 57.6027 64.2039 174.8081 45 A 3.8821 8.8249 125.3103 55.8428 17.8829 179.9791 46 E 3.9910 8.1760 116.2129 59.5865 29.6003 179.0219 47 E 4.0223 8.2971 119.4419 59.1859 29.4665 179.0712 48 V 3.8419 7.6146 117.2891 66.1303 31.7183 177.9534 49 V 3.8271 7.9293 116.8111 65.9350 31.6781 177.6436 50 R 4.2119 8.3699 118.1864 59.3256 29.9664 179.0914 51 R 4.2778 8.0160 116.9253 57.0060 30.5486 177.9487 *53 N 4.7353 8.1520 115.9854 53.0832 40.9219 177.1540 54 S 4.2660 8.4929 113.9314 61.5359 62.8140 176.5091 55 A 4.2810 8.5943 123.5009 55.5435 17.8269 179.8358 56 V 3.7836 8.2081 116.2359 66.1024 31.3792 177.7505 57 E 3.9294 8.2417 117.9919 59.3915 29.8844 178.4619 58 A 4.0895 8.7615 121.0550 53.4267 19.7765 176.7578 59 F 5.4719 8.1191 116.2441 55.2616 38.8887 174.2343 60 P 4.2975 0.0000 0.0000 63.9199 31.8211 177.7081 61 D 4.7326 7.6617 117.9550 52.5589 39.8246 175.8731 62 L 4.4059 7.7093 121.6990 56.5869 42.9986 176.2542 63 R 4.8180 8.9603 125.4183 54.7920 33.2407 173.4405 64 L 4.8407 9.6920 127.4862 53.3065 43.5964 175.6259 65 D 4.7242 8.6434 122.9938 52.1433 43.9743 174.8132 66 V 3.9434 8.3996 126.8112 63.1488 31.3941 175.5897 67 R 4.4025 8.9755 128.3367 58.3615 31.2540 176.5518 68 S 4.6041 7.5796 110.7881 58.0834 66.0913 174.5019 69 I 4.8008 8.1132 119.3187 59.6160 41.0673 174.2982 70 V 4.5358 8.3734 119.2679 59.4179 35.2072 174.7117 71 G 4.3966 8.5208 111.7563 43.7492 0.0000 172.1123 72 E 4.5820 9.3236 123.5412 55.6054 34.2036 175.3410 73 G 4.1590 8.6773 115.9708 47.0764 0.0000 173.6966 74 D 4.8739 9.0617 124.9260 52.8264 40.2214 175.4206 75 R 5.2654 8.3348 120.3223 55.3276 32.8642 175.7685 76 V 5.1467 8.4701 120.9394 60.3688 35.7017 173.6586 *78 L 4.4493 8.2983 118.0902 54.8367 43.6093 176.2687 79 R 4.6600 8.6545 123.5954 55.2487 31.3004 174.8541 80 I 4.7385 8.3617 128.1401 59.6130 40.3817 174.7879 81 T 4.6565 8.3157 122.9665 61.8636 70.8618 172.9487 82 C 4.8819 8.7074 127.1917 57.4409 34.2941 172.5836 83 S 4.9286 8.1285 118.1848 57.0523 66.6163 172.5095 84 A 4.8584 8.4552 122.0028 52.0232 23.2901 174.7309 85 T 5.0376 9.5146 110.0704 60.4003 71.1089 174.6936 86 H 4.6763 9.4372 125.3841 56.4094 29.3510 174.7677 87 Q 4.2225 8.7186 124.5907 56.3404 30.4342 176.1130 88 G 4.1355 7.6875 104.4331 43.6445 0.0000 173.9408 89 V 4.0398 8.2902 120.2018 63.0742 32.1554 175.8499 90 F 4.8015 9.0702 130.6268 58.0136 39.7149 176.2597 *92 G 3.7673 8.1804 105.8092 44.5723 0.0000 173.1325 93 I 4.2189 8.1123 122.2066 58.9667 37.5422 175.2638 94 A 4.2882 8.4926 129.0842 51.3305 18.8365 175.3120 95 P 3.7718 0.0000 0.0000 62.8231 31.9731 176.3712 96 T 4.3094 7.9904 108.3299 60.6117 70.3160 175.3750 97 G 3.9221 8.3414 109.7498 45.8603 0.0000 173.9237 98 R 4.3867 7.6360 118.6282 55.1512 31.8070 176.1877 99 K 4.5525 8.6955 121.4613 57.1017 32.6866 176.8186 100 V 4.7400 9.4134 118.1673 59.7481 35.8514 174.7670 101 R 5.1830 8.5714 122.0280 54.9760 33.0048 173.9379 102 W 5.3854 8.5509 122.0348 55.6593 32.0403 173.5440 103 T 5.2449 8.5722 116.7764 62.3295 71.5907 172.5974 104 Y 4.9425 8.5243 121.4896 56.2819 42.2404 173.1960 105 L 5.8047 8.4723 119.2756 52.3543 43.7195 176.5591 106 E 4.6347 8.9249 123.7957 56.1777 31.0911 176.2225 107 E 4.9313 8.9329 122.7081 54.9605 32.9182 173.9269 108 L 5.5565 9.3992 126.3000 53.0666 46.6948 175.4097 109 R 5.2177 9.0194 121.5746 54.7415 33.0955 174.2406 110 F 5.4306 9.2721 124.9686 55.3733 41.6682 175.8458 111 S 4.4628 8.9574 117.6805 58.0775 63.5400 175.2040 112 E 3.9908 8.6748 119.2733 59.2129 29.2171 178.0938 113 A 4.2470 8.0209 119.0169 52.3266 18.7129 177.4818 114 G 3.9425 8.1881 104.0930 45.9350 0.0000 173.6142 115 K 4.8949 7.7553 118.6925 53.8433 34.2051 176.1351 116 V 3.6304 8.4894 123.6019 63.3276 32.0109 176.5589 117 V 4.2512 8.6970 126.0425 61.7311 34.2271 175.2262 118 E 4.7073 7.4960 120.1821 54.9784 34.1598 173.5949 119 H 5.1796 8.2466 123.2470 54.3740 33.0574 171.9885 120 W 5.0013 9.3362 125.5951 55.0722 31.6133 175.4347 121 D 4.4385 8.7223 120.1289 55.5348 38.8983 175.2826 122 V 3.5258 8.0610 118.6773 64.2696 32.3407 177.5708 123 F 4.5883 7.8693 118.4707 57.2042 38.9155 177.0467 124 N 4.3604 8.1272 121.2409 55.6059 37.1502 176.5775 125 F 2.5880 7.8397 112.7635 58.2864 37.9473 174.8838 126 S 4.1448 6.7411 117.0705 55.9762 62.4403 171.8987 127 P 3.6027 0.0000 0.0000 62.2657 31.6423 176.2179 128 L 4.3494 8.2323 121.4181 53.5867 42.9714 178.0201 129 F 4.2819 8.7381 115.3428 60.2477 37.0893 177.6568 130 R 3.7432 6.0825 115.7679 58.6993 29.1096 178.1199 131 D 4.3852 7.5054 118.4625 56.0000 40.9283 177.3981 132 L 4.5546 7.4659 117.3292 53.3748 42.6488 176.2229 133 G 3.8606 7.7261 106.3033 47.0199 0.0000 174.0735 134 V 4.0441 8.0025 123.8092 62.6379 31.8100 174.7338 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 8.19 4.39 0.00 3.86 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 3 T 8.00 3.65 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 1.20 0.00 0.00 4 T 8.34 3.82 4.21 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 1.20 0.00 0.00 5 A 7.84 3.94 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 6 N 7.78 3.34 0.00 2.66 2.09 0.00 0.00 7.03 7.19 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 7 K 7.90 3.90 0.00 1.94 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 8 E 8.17 3.99 0.00 2.14 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 2.30 2.41 0.00 9 R 7.86 3.98 0.00 1.73 2.10 0.00 3.34 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 10 C 8.05 4.43 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.04 4.22 0.00 1.82 1.71 0.90 0.98 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 12 E 7.84 4.32 0.00 2.16 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 2.34 2.46 0.00 *14 V 7.82 4.14 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 1.06 0.00 0.00 1.02 0.00 0.00 15 A 8.17 3.94 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 16 A 8.20 3.87 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 17 W 8.25 4.14 0.00 3.59 3.22 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 18 N 8.32 4.34 0.00 2.70 2.65 0.00 0.00 7.07 8.39 0.00 0.00 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 7.31 3.77 0.00 1.85 1.84 0.00 3.24 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 20 W 7.56 3.88 0.00 3.69 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 21 D 7.79 4.74 0.00 2.69 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 22 V 7.91 3.15 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 0.77 0.00 0.00 0.61 0.00 0.00 23 S 7.90 4.04 0.00 3.95 3.98 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 24 G 7.70 3.49 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 0.00 25 V 7.13 3.61 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.39 0.00 0.00 26 V 7.11 2.00 1.55 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 0.46 0.00 0.00 -0.01 0.00 0.00 27 A 7.55 4.11 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 28 H 8.24 4.46 0.00 3.48 3.53 0.00 5.81 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 7.82 4.80 0.00 3.39 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 30 A 8.85 4.38 1.32 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 0.00 0.00 0.00 31 P 0.00 4.31 0.00 2.06 2.18 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 32 D 7.70 4.92 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.08 3.52 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 0.35 0.00 0.00 0.86 0.00 0.00 34 V 8.02 3.91 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 0.04 0.00 0.00 0.75 0.00 0.00 35 H 8.01 4.75 0.00 2.88 2.78 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.44 5.16 0.00 2.74 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 37 D 8.34 4.88 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.95 4.45 0.00 2.75 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 39 E 8.34 4.40 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 2.31 2.37 0.00 40 D 8.00 4.53 0.00 2.85 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 41 K 8.73 4.58 0.00 2.08 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.59 7.81 42 P 0.00 4.59 0.00 1.98 1.91 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 43 V 8.34 4.65 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 0.94 0.00 0.00 1.02 0.00 0.00 44 S 8.62 4.28 0.00 4.33 3.98 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 45 A 8.82 3.88 1.48 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 46 E 8.18 3.99 0.00 2.11 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 2.43 2.47 0.00 47 E 8.30 4.02 0.00 2.15 2.22 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 2.54 2.40 0.00 48 V 7.61 3.84 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 1.08 0.00 0.00 0.59 0.00 0.00 49 V 7.93 3.83 2.17 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 0.88 0.00 0.00 1.07 0.00 0.00 50 R 8.37 4.21 0.00 2.25 2.06 0.00 3.20 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 51 R 8.02 4.28 0.00 2.33 2.59 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.10 0.00 *53 N 8.15 4.74 0.00 3.13 2.95 0.00 0.00 7.02 7.57 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 54 S 8.49 4.27 0.00 4.35 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 55 A 8.59 4.28 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 0.00 0.00 0.00 0.00 0.00 56 V 8.21 3.78 2.22 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 1.19 0.00 0.00 1.17 0.00 0.00 57 E 8.24 3.93 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 58 A 8.76 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.12 5.47 0.00 3.30 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 60 P 0.00 4.30 0.00 1.87 2.00 0.00 3.34 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 61 D 7.66 4.73 0.00 2.87 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 62 L 7.71 4.41 0.00 2.10 2.07 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.96 4.82 0.00 1.97 1.71 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 64 L 9.69 4.84 0.00 1.43 1.39 0.45 0.65 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 65 D 8.64 4.72 0.00 2.65 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 66 V 8.40 3.94 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 0.79 0.00 0.00 0.88 0.00 0.00 67 R 8.98 4.40 0.00 1.68 1.90 0.00 3.34 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 68 S 7.58 4.60 0.00 3.82 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 69 I 8.11 4.80 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.90 0.00 0.00 70 V 8.37 4.54 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 0.82 0.00 0.00 0.94 0.00 0.00 71 G 8.52 4.40 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 0.00 72 E 9.32 4.58 0.00 1.94 1.76 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 2.21 2.26 0.00 73 G 8.68 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.06 4.87 0.00 3.23 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 75 R 8.33 5.27 0.00 1.96 1.93 0.00 3.02 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 76 V 8.47 5.15 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 1.57 0.00 0.00 1.07 0.00 0.00 *78 L 8.30 4.45 0.00 1.69 1.58 1.02 0.74 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 79 R 8.65 4.66 0.00 1.84 1.75 0.00 2.99 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 80 I 8.36 4.74 0.72 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 1.01 0.40 0.56 0.00 0.00 81 T 8.32 4.66 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 1.05 0.00 0.00 82 C 8.71 4.88 0.00 2.23 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 83 S 8.13 4.93 0.00 3.83 3.74 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 84 A 8.46 4.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.51 5.04 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 1.37 0.00 0.00 86 H 9.44 4.68 0.00 3.53 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.72 4.22 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 88 G 7.69 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 0.00 0.00 0.00 89 V 8.29 4.04 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 0.78 0.00 0.00 0.92 0.00 0.00 90 F 9.07 4.80 0.00 2.79 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 *92 G 8.18 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 93 I 8.11 4.22 2.13 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 1.28 0.73 1.05 0.00 0.00 94 A 8.49 4.29 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 95 P 0.00 3.77 0.00 2.07 2.08 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 96 T 7.99 4.31 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 1.27 0.00 0.00 97 G 8.34 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 98 R 7.64 4.39 0.00 1.90 1.92 0.00 3.18 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 99 K 8.70 4.55 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.53 7.81 100 V 9.41 4.74 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 1.00 0.00 0.00 1.17 0.00 0.00 101 R 8.57 5.18 0.00 1.80 1.78 0.00 3.23 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 102 W 8.55 5.39 0.00 3.41 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 0.00 103 T 8.57 5.24 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 1.18 0.00 0.00 104 Y 8.52 4.94 0.00 3.06 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 0.00 105 L 8.47 5.80 0.00 1.57 1.68 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.92 4.63 0.00 2.01 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 0.00 2.73 2.81 0.00 107 E 8.93 4.93 0.00 2.11 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 2.45 2.33 0.00 108 L 9.40 5.56 0.00 1.52 1.17 1.06 0.41 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 0.00 109 R 9.02 5.22 0.00 2.24 1.89 0.00 3.45 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.99 0.00 110 F 9.27 5.43 0.00 2.93 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 0.00 111 S 8.96 4.46 0.00 4.04 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 0.00 112 E 8.67 3.99 0.00 1.99 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 0.00 2.34 2.41 0.00 113 A 8.02 4.25 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 0.00 114 G 8.19 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 0.00 115 K 7.76 4.89 0.00 1.84 1.89 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.55 7.81 116 V 8.49 3.63 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 0.67 0.00 0.00 0.76 0.00 0.00 117 V 8.70 4.25 2.05 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 0.79 0.00 0.00 0.87 0.00 0.00 118 E 7.50 4.71 0.00 1.57 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 119 H 8.25 5.18 0.00 2.88 2.76 0.00 5.57 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 9.34 5.00 0.00 3.44 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 0.00 121 D 8.72 4.44 0.00 2.92 2.75 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 0.00 122 V 8.06 3.53 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 0.06 0.00 0.00 0.72 0.00 0.00 123 F 7.87 4.59 0.00 3.07 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 0.00 124 N 8.13 4.36 0.00 2.93 3.24 0.00 0.00 6.87 7.25 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 0.00 125 F 7.84 2.59 0.00 2.63 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 0.00 126 S 6.74 4.14 0.00 3.44 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.60 0.00 1.27 0.49 0.00 3.33 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.00 128 L 8.23 4.35 0.00 1.48 1.24 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.74 4.28 0.00 3.31 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 6.08 3.74 0.00 1.78 1.56 0.00 2.68 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.33 0.00 131 D 7.51 4.39 0.00 2.55 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 0.00 132 L 7.47 4.55 0.00 1.86 1.80 1.04 0.65 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 0.00 133 G 7.73 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 0.00 134 V 8.00 4.04 2.22 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 0.89 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.