NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2073 8.1127 119.0362 55.4531 31.1008 174.4640 7 V 3.5449 8.0941 123.5114 63.1022 31.7409 174.3898 8 G 3.9485 9.1527 116.7861 44.6378 0.0000 172.7747 9 E 4.0297 8.0203 121.6474 56.8841 30.6443 175.4974 10 R 5.2227 8.7333 126.4022 54.5218 32.6128 174.2318 11 F 5.1311 9.7241 128.5050 56.7297 42.4723 173.8543 12 T 4.8830 7.1459 120.3783 61.1072 72.0708 173.3064 13 H 4.3951 8.1056 123.5107 55.3765 32.8776 171.5525 14 D 5.3081 8.3822 125.6460 52.6528 43.6078 176.2330 15 F 4.4932 8.6223 124.9220 56.9066 42.5657 173.4122 16 V 3.8659 7.7910 127.5128 62.4686 32.1985 175.5491 17 V 3.4893 8.5130 129.5942 62.0299 32.3923 174.0423 18 P 4.7297 0.0000 0.0000 60.7938 32.4965 174.9725 19 P 4.2246 0.0000 0.0000 65.8835 31.2628 177.5662 20 H 4.5485 7.8677 111.3049 55.3327 28.7693 175.3227 21 K 3.7876 7.7371 118.3632 56.5496 32.5952 176.4915 22 T 5.6538 7.2911 109.7305 59.6304 70.5248 175.7263 23 V 3.3868 8.5554 120.7827 65.9816 31.2249 178.1716 24 R 4.0715 8.0573 115.3536 58.9627 29.4396 177.8095 25 H 4.5096 8.1358 114.9359 57.4262 29.3826 176.5909 26 L 3.8439 7.9385 121.3507 57.6649 42.1113 177.0001 27 Y 5.2458 7.4410 117.3811 53.8822 38.1088 174.0152 28 P 4.5749 0.0000 0.0000 64.5818 32.1206 177.4483 29 E 4.2257 8.3786 113.9700 56.5057 28.4975 175.5922 30 S 4.5884 8.1045 115.7303 56.1933 62.5477 172.9911 31 P 4.5108 0.0000 0.0000 65.3574 31.3940 178.8008 32 E 4.1397 7.3924 114.1390 58.4284 29.7143 177.6971 33 F 4.8620 7.9745 116.3759 58.2114 39.6980 177.6691 34 A 4.1145 7.9196 124.7759 55.1271 18.1877 178.6671 35 E 4.8106 8.1717 109.6037 55.6184 30.8466 180.3564 36 F 4.2926 8.4022 118.1902 57.3725 39.5255 173.6847 37 P 4.3535 0.0000 0.0000 63.4942 31.8096 177.3939 38 E 4.4688 8.5013 121.7879 55.5195 28.0392 176.0981 39 V 4.8444 7.3747 114.1905 58.6635 36.8804 174.9264 40 F 5.0530 9.2374 125.8080 58.9403 39.8326 174.9409 41 A 4.0726 8.7588 128.4452 52.0192 18.9295 178.2428 42 T 3.6982 8.7840 118.5771 66.7764 68.8716 176.2167 43 G 3.5203 7.7496 109.5537 48.3750 0.0000 174.5403 44 F 4.7538 7.2725 117.8951 57.9720 38.7170 177.7096 *46 V 3.9192 8.0108 122.0175 62.9222 33.2070 176.7333 47 G 3.7451 7.8599 108.3867 48.6079 0.0000 175.8814 48 L 4.2126 8.2255 120.5721 55.3284 41.5901 178.4110 *50 E 4.1341 8.3180 118.3831 55.6101 31.6573 178.0928 51 W 4.2790 8.3633 127.7850 60.3240 30.6610 177.7167 52 A 3.9047 7.8680 120.5542 55.5665 17.6189 179.4487 53 C 2.9151 7.5889 113.0723 62.4733 28.1446 176.0251 54 V 3.6787 7.7341 119.2499 65.9915 31.1592 178.0726 55 R 3.9836 7.7275 116.5909 58.9102 29.9007 179.6396 56 A 3.7336 7.0882 116.0030 52.6757 18.3085 178.0368 *58 A 4.3763 7.9794 125.7164 53.2603 20.4700 178.3811 59 P 4.0719 0.0000 0.0000 65.0812 31.3680 176.6526 60 Y 4.5226 7.7426 113.0927 57.6369 38.5404 175.5172 61 L 4.4263 7.3985 120.8690 53.9441 42.9822 176.6335 62 E 4.3443 8.9181 121.6620 54.8274 30.4403 174.7379 63 P 4.3789 0.0000 0.0000 64.3431 31.9405 177.1460 64 G 3.8808 9.0749 110.1211 45.4353 0.0000 172.3550 65 E 5.1198 7.7619 118.2362 54.6227 32.1268 175.9673 66 G 4.2367 8.8798 107.7167 45.7892 0.0000 171.2904 67 S 5.2888 8.4630 112.8051 57.0327 66.4238 173.4386 68 L 4.7766 8.8534 120.4499 52.5457 45.7176 176.2525 69 G 4.1493 8.7840 110.0833 46.7585 0.0000 173.2797 70 T 4.7495 8.6259 114.6242 61.6684 70.8069 174.1424 71 A 4.5887 7.5885 121.3093 51.3399 22.4165 174.9174 72 I 5.0150 8.3090 119.7374 59.8734 41.6786 174.6802 73 C 4.6065 9.0981 129.4307 58.7360 33.6023 172.6258 74 V 5.1165 8.0473 118.0191 59.7768 35.5267 175.1423 75 T 4.3544 8.6233 114.2288 61.6555 70.9487 173.4738 76 H 5.2937 8.6897 121.6213 55.1617 31.0428 172.1710 77 T 4.6474 9.3403 115.9160 61.5636 70.4460 174.5568 78 A 4.7039 7.9631 122.7853 50.2366 22.4195 174.5985 79 A 4.7225 8.3917 121.2939 51.1163 20.9871 177.1881 80 T 4.6629 8.3754 116.7698 60.9198 71.7398 172.0712 81 P 4.9480 0.0000 0.0000 61.6554 32.9137 174.4334 82 P 4.3524 0.0000 0.0000 64.0901 31.7561 176.7351 83 G 3.9367 9.1100 110.1164 45.0842 0.0000 174.0313 84 L 4.3563 7.1881 118.0899 54.3847 43.7519 176.1534 85 T 4.6033 8.1978 118.4225 62.5667 70.2120 173.8992 86 V 4.3902 8.7792 128.1902 62.1612 33.2329 174.6831 87 T 4.7874 8.6973 125.9480 62.1595 70.1214 173.8152 88 V 4.7258 8.6137 127.7538 61.7931 33.6607 174.4962 89 T 4.9148 8.9869 124.7159 61.7699 71.0449 173.0765 90 A 5.2902 9.2224 128.7796 50.1108 21.7435 174.4659 91 E 5.2695 9.4978 124.4742 54.0034 32.5573 174.9535 92 L 3.6022 8.7450 129.9303 55.5019 42.4946 177.3406 93 R 4.3373 8.6107 125.4710 57.7232 31.9531 176.9258 94 S 4.5030 7.0295 109.5029 57.3216 65.8149 174.8389 95 V 4.6290 8.1990 121.5394 60.8100 33.9976 175.9670 96 E 4.7124 8.5558 126.9314 55.3555 31.7418 175.2376 97 G 3.9945 7.7648 120.2139 47.3236 0.0000 176.2411 98 R 4.0037 8.7286 126.3612 57.6578 29.7928 175.6822 99 R 4.8945 7.7612 117.8596 55.9676 31.2686 175.0230 100 L 4.9787 8.6923 126.9679 53.0673 44.3747 175.6376 101 S 5.1998 8.3167 119.5477 56.4941 65.7363 173.2484 102 W 5.3052 9.4096 123.7091 54.8661 33.1361 174.2248 103 R 4.9228 9.1355 124.2298 55.3740 31.2971 175.4423 104 V 5.2469 8.7509 119.3760 59.8261 35.3080 174.7987 105 S 5.1946 9.0451 117.1521 57.3678 66.8056 172.7080 106 A 5.3987 9.1080 122.1600 51.0602 22.9229 174.8511 107 H 5.3877 9.0490 114.9035 53.8709 32.4832 173.4292 108 D 5.1463 8.5631 118.6242 52.4285 39.4148 177.3898 109 G 4.0758 8.7624 109.9034 45.6777 0.0000 174.4154 110 V 4.1632 7.9292 115.8761 63.9623 33.3031 174.9594 111 D 5.0946 8.5653 119.0280 51.7509 43.9589 175.4688 112 E 4.3394 8.7501 121.3818 56.9116 30.0941 176.9853 113 I 4.4835 8.8855 115.9766 60.2270 40.1691 175.4648 114 G 4.5818 7.9985 111.0407 46.4448 0.0000 171.8502 115 S 5.0672 7.1630 112.9235 56.6554 66.6530 174.8270 116 G 4.2905 7.7722 108.5526 46.7383 0.0000 171.8193 117 T 5.3322 8.3397 113.4464 60.4224 72.9878 173.0221 118 H 5.5262 9.3763 121.3061 54.9819 33.8649 171.7744 119 E 5.3425 9.1681 124.2527 54.7214 32.8895 175.2374 120 R 5.2319 9.2569 121.4223 54.3093 34.8594 174.1113 121 A 5.2218 8.9695 122.2633 49.9996 22.0231 175.8208 122 V 4.2842 8.5749 123.5531 62.7413 32.3838 175.4282 123 I 4.6752 9.0741 121.2796 59.1572 41.2872 174.2421 124 H 4.8915 8.7565 123.9396 55.4764 30.3333 175.7399 125 L 4.1037 8.6806 128.2067 58.0259 41.6523 179.1657 126 E 3.9870 8.2847 117.8502 59.7189 29.3595 179.4931 127 K 3.9797 8.3367 117.6696 59.3940 32.1193 179.1013 128 F 4.1543 8.6150 121.1219 61.5457 39.4303 177.0249 129 N 4.1651 8.8687 116.2116 56.0016 38.2894 177.2627 130 A 3.9819 7.9862 124.3278 55.8501 18.3132 180.5485 131 K 3.9155 7.4342 120.7137 59.6307 31.8233 181.1087 132 V 3.7721 7.4312 120.9740 66.7570 31.4937 178.9991 133 R 4.1126 8.1607 122.0780 60.8063 28.9594 180.0298 134 Q 4.3917 7.5967 115.5187 57.6879 28.8118 177.0506 135 K 4.5246 7.8502 117.4406 55.7634 34.7395 176.0445 136 T 4.0628 7.5841 117.0000 63.0598 68.8700 172.9392 137 P 4.4047 0.0000 0.0000 63.0965 31.3186 176.0813 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 6 R 8.11 4.21 0.00 1.75 1.90 0.00 3.23 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 7 V 8.09 3.54 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 0.86 0.00 0.00 0.80 0.00 0.00 8 G 9.15 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 0.00 0.00 0.00 9 E 8.02 4.03 0.00 2.34 1.83 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 2.43 2.34 0.00 10 R 8.73 5.22 0.00 1.88 1.82 0.00 3.26 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 11 F 9.72 5.13 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.15 4.88 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 1.01 0.00 0.00 13 H 8.11 4.40 0.00 2.83 3.03 0.00 5.82 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.38 5.31 0.00 2.45 2.43 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 15 F 8.62 4.49 0.00 2.86 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 16 V 7.79 3.87 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 0.58 0.00 0.00 0.76 0.00 0.00 17 V 8.51 3.49 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.44 0.00 0.00 18 P 0.00 4.73 0.00 1.97 1.96 0.00 3.68 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 19 P 0.00 4.22 0.00 2.19 2.16 0.00 3.55 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 2.11 2.07 0.00 20 H 7.87 4.55 0.00 3.11 3.24 0.00 5.47 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.74 3.79 0.00 1.87 1.82 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.08 1.62 7.81 22 T 7.29 5.65 4.38 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 1.33 0.00 0.00 23 V 8.56 3.39 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 0.03 0.00 0.00 0.97 0.00 0.00 24 R 8.06 4.07 0.00 2.06 2.43 0.00 3.22 0.00 0.00 3.62 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 25 H 8.14 4.51 0.00 3.55 3.63 0.00 5.85 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 26 L 7.94 3.84 0.00 1.14 1.61 -0.21 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.44 5.25 0.00 3.29 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 28 P 0.00 4.57 0.00 2.07 2.16 0.00 3.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 29 E 8.38 4.23 0.00 2.17 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 0.00 2.57 2.36 0.00 30 S 8.10 4.59 0.00 3.84 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 0.00 31 P 0.00 4.51 0.00 2.20 2.09 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 32 E 7.39 4.14 0.00 1.58 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 2.24 2.27 0.00 33 F 7.97 4.86 0.00 3.09 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 34 A 7.92 4.11 1.45 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 0.00 0.00 35 E 8.17 4.81 0.00 1.96 1.78 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 2.11 1.85 0.00 36 F 8.40 4.29 0.00 3.22 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 37 P 0.00 4.35 0.00 2.11 2.04 0.00 3.59 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 38 E 8.50 4.47 0.00 2.01 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 2.38 2.33 0.00 39 V 7.37 4.84 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 0.82 0.00 0.00 1.08 0.00 0.00 40 F 9.24 5.05 0.00 3.10 3.14 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 41 A 8.76 4.07 1.14 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 42 T 8.78 3.70 4.18 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 1.18 0.00 0.00 43 G 7.75 3.52 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 0.00 0.00 0.00 44 F 7.27 4.75 0.00 2.78 2.81 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 *46 V 8.01 3.92 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 0.72 0.00 0.00 0.91 0.00 0.00 47 G 7.86 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 48 L 8.23 4.21 0.00 2.01 1.77 0.68 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.32 4.13 0.00 2.24 1.99 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 2.00 2.45 0.00 51 W 8.36 4.28 0.00 3.52 3.28 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 52 A 7.87 3.90 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 53 C 7.59 2.92 0.00 2.63 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 0.00 0.00 0.00 54 V 7.73 3.68 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 0.85 0.00 0.00 0.93 0.00 0.00 55 R 7.73 3.98 0.00 1.49 1.51 0.00 3.02 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 56 A 7.09 3.73 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 *58 A 7.98 4.38 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 59 P 0.00 4.07 0.00 1.02 1.75 0.00 3.85 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 1.87 1.96 0.00 60 Y 7.74 4.52 0.00 3.00 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 61 L 7.40 4.43 0.00 1.73 1.61 1.00 0.96 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 62 E 8.92 4.34 0.00 2.11 1.86 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 2.34 2.44 0.00 63 P 0.00 4.38 0.00 2.03 1.99 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 64 G 9.07 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 65 E 7.76 5.12 0.00 2.13 1.86 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 2.24 2.28 0.00 66 G 8.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.46 5.29 0.00 3.92 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 68 L 8.85 4.78 0.00 1.38 1.44 0.32 0.77 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 69 G 8.78 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.63 4.75 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 1.25 0.00 0.00 71 A 7.59 4.59 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 72 I 8.31 5.01 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.92 0.00 0.00 73 C 9.10 4.61 0.00 3.04 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 74 V 8.05 5.12 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 0.92 0.00 0.00 75 T 8.62 4.35 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 1.24 0.00 0.00 76 H 8.69 5.29 0.00 3.11 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.34 4.65 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 1.25 0.00 0.00 78 A 7.96 4.70 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 79 A 8.39 4.72 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 80 T 8.38 4.66 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 1.20 0.00 0.00 81 P 0.00 4.95 0.00 2.11 2.19 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 82 P 0.00 4.35 0.00 2.03 1.95 0.00 3.66 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 2.04 2.11 0.00 83 G 9.11 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 84 L 7.19 4.36 0.00 1.59 1.66 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.20 4.60 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 1.10 0.00 0.00 86 V 8.78 4.39 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 0.99 0.00 0.00 0.70 0.00 0.00 87 T 8.70 4.79 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 1.13 0.00 0.00 88 V 8.61 4.73 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 0.98 0.00 0.00 0.96 0.00 0.00 89 T 8.99 4.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 90 A 9.22 5.29 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 91 E 9.50 5.27 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 2.21 2.36 0.00 92 L 8.75 3.60 0.00 1.30 1.25 -0.33 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.61 4.34 0.00 1.68 1.88 0.00 3.28 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 1.56 1.75 0.00 94 S 7.03 4.50 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 95 V 8.20 4.63 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 0.72 0.00 0.00 0.71 0.00 0.00 96 E 8.56 4.71 0.00 2.02 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 2.18 2.22 0.00 97 G 7.76 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 0.00 0.00 0.00 98 R 8.73 4.00 0.00 1.75 1.95 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 99 R 7.76 4.89 0.00 1.83 1.93 0.00 2.99 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 100 L 8.69 4.98 0.00 1.81 1.33 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.32 5.20 0.00 3.63 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 0.00 102 W 9.41 5.31 0.00 3.34 3.14 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 0.00 103 R 9.14 4.92 0.00 1.93 1.87 0.00 3.06 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 104 V 8.75 5.25 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 0.75 0.00 0.00 1.01 0.00 0.00 105 S 9.05 5.19 0.00 3.88 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 0.00 106 A 9.11 5.40 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 0.00 107 H 9.05 5.39 0.00 3.33 3.36 0.00 5.24 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.56 5.15 0.00 2.74 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 0.00 109 G 8.76 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 0.00 0.00 0.00 110 V 7.93 4.16 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 0.88 0.00 0.00 0.93 0.00 0.00 111 D 8.57 5.09 0.00 2.77 2.53 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 0.00 112 E 8.75 4.34 0.00 1.98 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 0.00 2.35 2.34 0.00 113 I 8.89 4.48 2.03 0.00 0.00 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 1.25 1.21 1.04 0.00 0.00 114 G 8.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.16 5.07 0.00 3.95 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 0.00 116 G 7.77 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 0.00 0.00 0.00 0.00 117 T 8.34 5.33 4.44 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 1.25 0.00 0.00 118 H 9.38 5.53 0.00 3.23 3.24 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.17 5.34 0.00 1.98 1.79 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 2.21 2.31 0.00 120 R 9.26 5.23 0.00 1.87 1.89 0.00 3.01 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 121 A 8.97 5.22 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 0.00 122 V 8.57 4.28 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 0.85 0.00 0.00 1.00 0.00 0.00 123 I 9.07 4.68 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.87 0.71 0.00 0.00 124 H 8.76 4.89 0.00 3.22 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.68 4.10 0.00 1.76 1.76 0.96 0.86 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 0.00 126 E 8.28 3.99 0.00 2.18 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 0.00 2.45 2.41 0.00 127 K 8.34 3.98 0.00 2.00 1.90 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.29 7.81 128 F 8.61 4.15 0.00 3.22 3.28 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 0.00 129 N 8.87 4.17 0.00 2.74 2.84 0.00 0.00 6.98 7.64 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 0.00 130 A 7.99 3.98 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 0.00 131 K 7.43 3.92 0.00 1.82 1.75 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 132 V 7.43 3.77 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 0.82 0.00 0.00 0.19 0.00 0.00 133 R 8.16 4.11 0.00 1.81 1.93 0.00 3.32 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 134 Q 7.60 4.39 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 135 K 7.85 4.52 0.00 1.62 1.87 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.37 7.81 136 T 7.58 4.06 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 1.19 0.00 0.00 137 P 0.00 4.40 0.00 2.03 1.98 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.