NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3385 8.2393 119.7180 55.0288 31.5481 174.9733 3 P 3.9785 0.0000 0.0000 62.3593 31.6381 174.4419 4 I 2.6525 8.5027 125.4811 59.1232 38.9092 175.3490 5 P 4.3067 0.0000 0.0000 62.2610 31.8781 175.4378 6 E 4.1269 8.5871 122.9958 57.5727 29.9873 177.2832 7 G 3.9643 8.8155 113.9286 45.2197 0.0000 172.8474 8 Y 4.2016 7.8804 121.7851 58.4408 39.6366 174.6583 9 E 5.2657 8.2913 126.6345 54.3694 32.0614 174.6368 10 A 4.8412 9.0237 127.1994 50.2969 22.7348 175.2434 11 V 5.0682 8.4449 112.6714 59.5515 36.0964 174.9017 12 F 4.9394 9.3000 124.6444 56.6370 42.2704 173.3088 13 E 4.8916 8.1170 124.8843 55.0344 32.4176 174.9719 14 T 4.3140 8.1727 116.4588 61.1703 71.7140 171.7567 15 V 4.5200 7.8787 121.2602 60.5018 34.4258 175.2726 16 V 3.5994 8.3543 127.9525 63.7310 32.1338 175.1480 17 T 4.6097 8.1758 118.0219 59.5445 70.8313 174.0122 18 P 4.1576 0.0000 0.0000 65.6740 31.8031 177.4862 19 E 4.1135 7.1365 120.2616 55.9077 28.4287 175.5689 *21 T 4.7904 7.3916 107.5693 61.2349 70.9465 174.7241 22 V 3.5684 7.9236 121.8233 63.3684 32.3116 175.0253 23 R 4.8203 8.8043 129.2353 55.0980 32.9137 174.1548 24 F 5.1620 8.8583 124.6940 55.4096 42.4781 175.2592 25 E 4.3061 8.7709 119.9497 57.7470 30.1504 176.5769 26 E 4.3333 9.0429 126.2543 57.1856 27.9005 176.1534 27 L 4.1411 7.8999 115.9368 55.3215 42.7394 178.1880 28 G 3.8462 8.4400 106.5397 43.8194 0.0000 170.2557 29 P 4.7247 0.0000 0.0000 63.0732 31.9817 174.9637 30 V 4.2825 8.7367 121.4386 64.2737 33.4721 175.3743 31 H 5.0927 7.8170 116.3018 52.6287 32.9155 171.9492 32 P 4.9533 0.0000 0.0000 63.0969 30.5682 175.8969 33 V 4.5926 7.4943 111.2787 60.2625 37.0620 174.9781 34 Y 4.5381 8.7306 123.3982 58.5488 39.1167 176.3071 35 A 3.9388 8.3244 128.2466 51.8220 19.3128 178.2968 36 T 3.6109 8.4184 117.7462 66.7243 69.0795 175.8165 37 Y 4.2192 7.3620 118.8035 59.3592 38.5307 176.7277 38 W 4.0202 7.0045 120.3155 57.0391 29.0388 178.4610 *40 V 3.9440 7.9220 119.5254 62.8480 32.8939 176.2550 41 K 3.9785 7.8228 120.3773 59.9094 32.1349 179.0399 42 H 4.6095 8.1360 115.8780 56.0550 28.2523 177.4346 *44 E 4.2243 8.3491 120.6321 56.4631 31.7418 178.2573 45 L 3.8171 8.0910 119.6872 58.1231 41.8498 178.8320 46 A 4.2062 8.0714 119.6164 55.2629 18.6896 179.5223 47 G 3.7423 8.0907 103.7326 47.9578 0.0000 175.7639 48 R 4.3912 8.1598 122.5260 58.6292 29.8878 178.6445 49 K 4.2123 7.9159 116.9857 58.8235 32.0218 178.9921 50 I 4.3369 7.5749 120.3210 64.1459 37.4235 177.7223 51 I 4.2492 7.8368 113.0977 63.0522 37.7964 177.6832 52 L 3.9873 7.8113 120.7668 57.6826 41.3309 177.7685 53 P 4.1936 0.0000 0.0000 64.3216 31.2639 177.4933 54 F 4.6702 7.5899 114.4863 56.3969 40.3839 176.1488 55 L 4.2015 7.1030 117.9435 54.9695 42.1120 176.7607 56 E 4.4806 9.4517 122.8274 54.0890 31.3977 175.0287 57 E 3.9720 8.5978 120.1525 58.3459 29.6550 177.4268 58 G 3.9410 8.9215 112.8179 45.7092 0.0000 172.6094 59 E 4.6464 7.9276 118.9253 55.6735 30.8619 175.4345 60 E 4.7271 9.2708 122.3321 54.6414 33.8686 173.9758 61 G 4.5971 8.7212 110.9821 44.2878 0.0000 172.5536 62 I 4.7600 8.6673 117.2348 58.3894 40.8613 175.0490 63 G 3.9015 8.8598 113.1833 46.7046 0.0000 172.8519 64 S 4.8091 9.0305 118.9266 59.1093 65.1280 173.5094 65 Y 4.8926 7.6719 118.6271 56.4517 42.0888 174.0211 66 V 4.8533 7.1224 117.4135 59.9203 36.2885 173.9456 67 E 4.6758 8.7495 120.3866 55.0830 33.2791 173.9668 68 A 5.0225 8.3778 122.5637 50.8395 22.7371 175.1766 69 R 4.4450 9.0906 123.5345 54.7552 32.4276 174.4378 70 H 4.6569 8.9007 127.1521 55.6532 29.5092 174.1863 71 L 4.4743 8.8115 127.0646 56.4327 42.6438 176.7504 72 A 4.6571 7.7099 118.5484 50.9472 22.4361 174.3479 73 S 5.0099 8.3784 114.5926 57.0476 65.9061 174.0388 74 A 4.6853 8.2712 121.7042 50.3299 21.6808 175.7319 75 L 4.6014 8.5513 122.4373 53.0137 43.2271 175.2995 76 P 4.1123 0.0000 0.0000 64.5085 32.0441 176.9916 77 G 3.7056 8.6985 110.0402 45.8896 0.0000 173.5394 *79 R 4.2235 7.5536 115.9667 55.8418 32.5234 176.2143 80 V 4.6895 8.6501 121.1104 61.1204 35.4024 173.9819 81 R 4.8871 9.0041 127.3874 54.5311 32.8963 173.9723 82 V 4.8586 9.0309 127.0608 61.1810 34.0961 174.2395 83 V 4.8270 9.3397 128.1296 61.2274 33.8698 173.7963 84 A 5.3114 9.0794 130.4016 50.3826 21.7722 175.4495 85 R 5.0871 9.0232 120.1621 54.2285 34.6428 174.3843 86 H 4.4765 9.5357 124.5814 57.2123 30.3434 174.8677 87 E 4.2298 9.3375 128.2053 57.3634 30.2610 175.8417 88 K 4.2689 7.3317 115.6133 56.6199 35.6601 173.2740 89 T 5.2131 8.6018 116.7998 61.9078 71.6207 173.5592 90 E 4.5500 9.5573 126.8621 55.1250 32.0927 177.2739 91 G 3.9384 8.3911 116.0269 46.9974 0.0000 173.0061 92 N 4.8326 8.9186 120.9369 51.9798 37.5752 173.0542 93 R 4.9677 8.1975 120.4446 55.2453 32.6046 174.4654 94 V 4.6252 8.8663 127.4780 61.7896 33.4134 173.9035 95 Y 5.2333 9.4934 125.9907 56.4892 40.2613 174.6795 96 A 5.2929 8.9745 124.3213 50.3790 23.1591 174.8489 97 R 5.0330 8.9187 119.8950 54.6531 32.7754 175.7430 98 V 5.1089 8.9189 122.4231 61.3197 35.6112 173.9935 99 E 5.2355 9.3136 124.0264 54.5587 34.0579 174.3622 100 A 5.2823 8.8052 124.1026 50.4393 22.5108 174.7289 101 Y 5.2412 9.1815 118.8375 56.2045 42.4557 175.1468 102 N 5.1306 8.7037 120.0365 51.1821 39.8127 175.3379 103 E 3.8864 8.3625 119.1484 59.3840 29.4955 177.5963 104 L 4.1826 7.9931 115.4962 55.0294 41.9590 177.4863 105 G 4.0069 8.4884 108.1254 45.1024 0.0000 173.8358 106 D 4.4384 8.3019 120.4202 53.8867 41.3419 175.6622 107 L 4.0965 8.4374 125.4362 54.6206 41.7099 176.2113 108 I 4.2945 8.4062 121.1913 61.9473 39.2044 175.6148 109 G 4.7135 7.3380 107.7020 44.6282 0.0000 172.5088 110 V 4.9076 8.0323 120.5703 61.2863 35.5306 174.6189 111 G 4.2530 9.1284 113.0930 46.0762 0.0000 171.2628 112 R 5.4889 8.6271 118.3375 55.2489 34.0493 174.3795 113 T 5.3566 9.1268 113.8007 60.2038 73.0683 172.2949 114 E 5.0208 9.2552 121.2506 54.7121 33.4244 174.8920 115 Q 4.9670 8.8651 122.3065 54.0412 32.9153 174.3636 116 V 4.5846 8.7456 123.1050 61.2916 34.0545 174.2637 117 I 4.8465 8.6964 129.1643 60.0696 38.2112 175.1578 118 L 4.8824 8.8990 126.1988 52.0741 46.7383 174.4373 119 P 4.6576 0.0000 0.0000 62.1592 32.2268 177.6811 120 K 3.7836 9.6735 123.7173 60.4716 32.0597 179.3054 121 A 3.9266 7.8971 121.1303 54.6291 18.3497 179.3075 122 K 3.7745 7.8716 118.1643 59.5115 32.2665 179.1765 123 V 3.1498 7.5036 117.8766 65.9883 31.4208 177.5562 124 E 3.8291 8.0680 118.0323 59.4290 29.2438 179.3144 125 A 3.9703 8.1514 120.8869 55.0193 18.5178 179.7517 126 L 3.9327 7.6742 117.5612 58.0633 41.7053 179.7857 127 F 4.5915 7.9680 117.8224 60.5204 38.8190 177.8315 128 R 3.9796 8.4711 118.8575 59.3765 29.8996 178.5321 129 R 4.1023 8.2731 118.7175 59.3450 30.0544 178.2686 130 L 3.9986 7.9720 119.8443 57.9894 42.0775 178.8539 131 K 4.1989 8.2087 119.6728 59.6266 32.1435 178.6528 132 E 4.0275 8.4380 118.8938 59.5373 29.1633 179.5712 133 R 4.0034 7.8904 117.1432 58.8965 30.4384 178.6275 134 W 4.5714 8.3543 128.2527 60.7531 30.5624 178.0207 135 E 3.8424 8.3573 116.9819 58.8584 28.9571 178.6111 136 A 4.1606 7.8153 119.4135 53.7076 18.4685 177.7040 137 E 4.3052 7.8257 121.8784 56.4005 29.8942 175.8857 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 R 8.24 4.34 0.00 2.07 2.07 0.00 3.26 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 3 P 0.00 3.98 0.00 2.17 2.02 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 4 I 8.50 2.65 1.18 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.03 0.36 0.00 0.00 5 P 0.00 4.31 0.00 2.34 2.05 0.00 3.07 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 6 E 8.59 4.13 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 7 G 8.82 3.96 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 0.00 0.00 0.00 8 Y 7.88 4.20 0.00 3.25 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 9 E 8.29 5.27 0.00 1.94 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 10 A 9.02 4.84 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 11 V 8.44 5.07 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 0.73 0.00 0.00 0.94 0.00 0.00 12 F 9.30 4.94 0.00 3.12 2.95 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 13 E 8.12 4.89 0.00 1.62 1.60 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 2.09 2.15 0.00 14 T 8.17 4.31 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 15 V 7.88 4.52 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 0.76 0.00 0.00 0.84 0.00 0.00 16 V 8.35 3.60 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 0.89 0.00 0.00 0.57 0.00 0.00 17 T 8.18 4.61 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 1.16 0.00 0.00 18 P 0.00 4.16 0.00 2.02 2.13 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 19 E 7.14 4.11 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 *21 T 7.39 4.79 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 1.16 0.00 0.00 22 V 7.92 3.57 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 0.86 0.00 0.00 0.89 0.00 0.00 23 R 8.80 4.82 0.00 1.78 1.77 0.00 3.31 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 24 F 8.86 5.16 0.00 3.05 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 25 E 8.77 4.31 0.00 1.96 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 2.31 2.41 0.00 26 E 9.04 4.33 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 27 L 7.90 4.14 0.00 1.82 1.82 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.44 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 29 P 0.00 4.72 0.00 2.06 2.01 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 30 V 8.74 4.28 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 0.62 0.00 0.00 1.14 0.00 0.00 31 H 7.82 5.09 0.00 3.06 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.95 0.00 2.07 2.13 0.00 3.77 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 2.00 2.01 0.00 33 V 7.49 4.59 2.21 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 0.81 0.00 0.00 0.92 0.00 0.00 34 Y 8.73 4.54 0.00 2.87 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 35 A 8.32 3.94 0.41 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 36 T 8.42 3.61 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 1.19 0.00 0.00 37 Y 7.36 4.22 0.00 3.02 3.17 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 0.00 38 W 7.00 4.02 0.00 3.06 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 *40 V 7.92 3.94 2.18 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 0.68 0.00 0.00 0.90 0.00 0.00 41 K 7.82 3.98 0.00 1.60 1.79 0.00 1.21 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.27 7.81 42 H 8.14 4.61 0.00 3.53 3.63 0.00 5.72 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 *44 E 8.35 4.22 0.00 2.21 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 2.26 2.45 0.00 45 L 8.09 3.82 0.00 1.63 1.55 0.82 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.07 4.21 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 47 G 8.09 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 0.00 0.00 0.00 48 R 8.16 4.39 0.00 1.99 2.11 0.00 3.15 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 49 K 7.92 4.21 0.00 2.06 1.95 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.73 7.81 50 I 7.57 4.34 2.24 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.77 1.12 0.00 0.00 51 I 7.84 4.25 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.90 0.96 0.00 0.00 52 L 7.81 3.99 0.00 1.75 1.79 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.19 0.00 0.83 1.70 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 54 F 7.59 4.67 0.00 2.97 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 55 L 7.10 4.20 0.00 1.70 1.62 0.94 0.88 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 56 E 9.45 4.48 0.00 2.08 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 2.28 2.25 0.00 57 E 8.60 3.97 0.00 1.90 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 2.30 2.40 0.00 58 G 8.92 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 59 E 7.93 4.65 0.00 2.00 1.89 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 2.31 2.33 0.00 60 E 9.27 4.73 0.00 2.00 1.68 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 2.19 2.30 0.00 61 G 8.72 4.60 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 0.00 0.00 0.00 62 I 8.67 4.76 1.91 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 1.40 1.29 0.93 0.00 0.00 63 G 8.86 3.90 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 0.00 0.00 0.00 64 S 9.03 4.81 0.00 3.83 3.95 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 65 Y 7.67 4.89 0.00 3.04 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 66 V 7.12 4.85 1.93 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 0.66 0.00 0.00 0.74 0.00 0.00 67 E 8.75 4.68 0.00 2.02 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 2.52 2.32 0.00 68 A 8.38 5.02 1.16 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 69 R 9.09 4.45 0.00 1.87 1.79 0.00 3.10 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 70 H 8.90 4.66 0.00 3.19 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.81 4.47 0.00 1.71 1.70 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.71 4.66 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 73 S 8.38 5.01 0.00 3.74 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.27 4.69 1.11 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 0.00 0.00 75 L 8.55 4.60 0.00 1.52 1.58 0.91 1.08 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 76 P 0.00 4.11 0.00 2.00 1.94 0.00 3.63 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 2.00 2.06 0.00 77 G 8.70 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 *79 R 7.55 4.22 0.00 1.74 1.81 0.00 3.00 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 80 V 8.65 4.69 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 0.93 0.00 0.00 0.48 0.00 0.00 81 R 9.00 4.89 0.00 1.87 1.79 0.00 3.05 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 82 V 9.03 4.86 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.17 0.00 0.00 83 V 9.34 4.83 2.23 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 0.96 0.00 0.00 1.03 0.00 0.00 84 A 9.08 5.31 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.02 5.09 0.00 1.76 1.84 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 86 H 9.54 4.48 0.00 3.29 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.34 4.23 0.00 2.05 2.14 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 2.23 2.25 0.00 88 K 7.33 4.27 0.00 1.71 1.72 0.00 1.33 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.13 7.81 89 T 8.60 5.21 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 1.30 0.00 0.00 90 E 9.56 4.55 0.00 2.14 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 2.14 2.19 0.00 91 G 8.39 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 92 N 8.92 4.83 0.00 3.01 3.01 0.00 0.00 5.39 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.20 4.97 0.00 1.87 2.05 0.00 3.10 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.32 0.00 94 V 8.87 4.63 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 0.95 0.00 0.00 0.93 0.00 0.00 95 Y 9.49 5.23 0.00 3.06 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 96 A 8.97 5.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.92 5.03 0.00 1.80 1.89 0.00 3.29 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 98 V 8.92 5.11 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 1.10 0.00 0.00 0.99 0.00 0.00 99 E 9.31 5.24 0.00 2.04 1.57 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 2.22 2.30 0.00 100 A 8.81 5.28 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 0.00 101 Y 9.18 5.24 0.00 2.91 2.83 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 0.00 0.00 0.00 0.00 102 N 8.70 5.13 0.00 2.82 2.96 0.00 0.00 6.73 7.15 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 0.00 103 E 8.36 3.89 0.00 2.09 2.01 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 2.30 2.26 0.00 104 L 7.99 4.18 0.00 1.81 1.69 0.92 0.94 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 0.00 105 G 8.49 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 0.00 106 D 8.30 4.44 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.44 4.10 0.00 1.55 1.56 0.39 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.41 4.29 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 0.99 0.00 0.00 109 G 7.34 4.71 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 0.00 110 V 8.03 4.91 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 1.08 0.00 0.00 0.89 0.00 0.00 111 G 9.13 4.25 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 0.00 112 R 8.63 5.49 0.00 2.02 1.93 0.00 3.18 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 113 T 9.13 5.36 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 1.23 0.00 0.00 114 E 9.26 5.02 0.00 1.86 1.56 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 1.47 2.03 0.00 115 Q 8.87 4.97 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 116 V 8.75 4.58 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 1.03 0.00 0.00 0.90 0.00 0.00 117 I 8.70 4.85 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 0.97 0.00 0.00 118 L 8.90 4.88 0.00 1.46 1.43 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.66 0.00 2.14 1.94 0.00 3.58 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 2.09 2.05 0.00 120 K 9.67 3.78 0.00 1.83 2.13 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.46 7.81 121 A 7.90 3.93 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 0.00 122 K 7.87 3.77 0.00 1.85 1.96 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 123 V 7.50 3.15 2.01 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 0.33 0.00 0.00 0.79 0.00 0.00 124 E 8.07 3.83 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 125 A 8.15 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 3.93 0.00 1.63 1.73 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.97 4.59 0.00 3.17 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 0.00 128 R 8.47 3.98 0.00 2.01 2.11 0.00 3.13 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 129 R 8.27 4.10 0.00 2.08 2.10 0.00 3.39 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 130 L 7.97 4.00 0.00 1.90 1.91 0.88 0.06 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 0.00 131 K 8.21 4.20 0.00 2.10 2.07 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.67 7.81 132 E 8.44 4.03 0.00 2.26 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 2.37 2.75 0.00 133 R 7.89 4.00 0.00 2.04 2.06 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 134 W 8.35 4.57 0.00 3.46 3.39 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 0.00 0.00 0.00 0.00 135 E 8.36 3.84 0.00 1.97 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 0.00 2.16 2.57 0.00 136 A 7.82 4.16 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 0.00 137 E 7.83 4.31 0.00 2.13 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 0.00 2.74 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.