NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 G 3.8976 8.3544 109.7360 45.5361 0.0000 173.1216 40 D 4.3741 8.5478 119.5931 53.5702 42.1329 172.9418 41 E 4.7930 9.3971 124.1297 54.6994 33.2704 175.0230 42 V 5.0416 8.9030 117.1029 59.5213 36.4054 174.7208 43 V 4.8118 8.7644 121.6999 61.1529 35.1344 173.9593 44 A 4.9626 9.0291 129.6827 50.7592 20.8832 175.7890 45 I 4.7513 8.9707 124.4527 59.8075 39.5130 174.8026 46 I 4.9161 8.7523 128.7730 59.6833 39.5681 175.1673 47 S 5.3041 9.3642 122.8318 56.7176 67.4764 172.9154 48 Q 4.8314 8.7853 122.7416 54.8157 31.9957 174.7506 49 N 4.1393 10.2564 126.3577 54.6387 38.0059 175.1690 50 G 4.0023 8.4898 104.1185 45.0340 0.0000 174.1812 51 K 4.3476 7.7253 120.4932 54.8882 33.0614 176.2760 52 V 4.1517 8.3472 124.2275 63.0991 32.2138 175.1492 53 I 4.3057 8.9470 128.2595 63.0023 38.4192 176.5277 54 R 4.6467 7.7418 118.8094 54.4805 34.8044 173.9855 55 E 4.9779 8.7875 121.6635 54.7274 32.0944 175.5368 56 I 4.4081 8.8521 126.2930 58.5845 40.0243 173.6247 57 P 4.7215 0.0000 0.0000 62.6455 31.7982 176.7436 58 L 4.3198 8.7888 123.5473 56.3543 42.4995 176.9019 59 T 4.2389 7.7724 115.7609 64.9158 68.3642 174.7621 60 G 3.9424 9.5041 116.6520 45.1618 0.0000 172.7060 61 H 4.3550 8.1718 121.0042 55.8195 30.4267 174.2366 62 K 4.3822 8.1942 124.9042 55.6725 35.9115 175.8612 63 G 3.7927 8.8657 106.9944 44.2762 0.0000 171.0089 64 N 5.5639 8.3688 116.1852 51.6846 41.5167 173.4651 65 E 4.8882 9.5524 126.5438 54.5344 33.1814 174.1787 66 Q 5.1780 8.8990 124.5393 54.1441 32.0963 174.6733 67 F 5.0929 8.2618 116.3790 55.7004 41.3431 173.4982 68 T 4.7850 8.6611 116.9331 62.1118 70.6505 173.8672 69 I 4.3793 8.7458 127.8585 60.2198 38.6882 174.7495 70 K 4.9188 8.8246 127.1240 55.0627 33.6334 176.7673 71 G 4.1840 8.6679 115.5429 43.8393 0.0000 173.3521 72 K 4.0994 8.4479 118.0471 57.5289 33.6988 178.3407 73 G 3.6963 8.2023 110.5356 47.3705 0.0000 174.4332 74 A 4.6582 8.6377 126.7864 51.3738 19.4936 176.8435 75 Q 4.4149 8.0525 118.2831 56.9183 29.8972 175.3431 76 Y 5.3736 8.9287 120.6033 55.7843 42.4313 173.6280 77 N 4.8366 9.0675 116.9069 51.6651 42.6929 174.3702 78 L 4.5547 8.9943 126.6383 53.8824 44.8189 174.6213 *80 E 4.5001 8.3902 121.2204 55.9941 31.1405 174.0821 81 V 4.9834 9.0373 127.1653 61.2220 34.2639 173.8730 82 D 5.2107 9.0759 127.2901 53.1026 44.1107 175.1143 83 G 3.7478 8.3455 117.5957 46.8282 0.0000 173.3874 84 E 4.7025 8.8307 123.5285 55.8608 29.6120 175.2294 85 R 5.0536 7.7988 118.1138 54.4571 33.9662 174.5765 86 I 5.5393 8.9684 120.8564 59.7589 41.8060 174.1064 87 R 4.7454 8.6368 122.9078 54.8988 32.9087 174.6499 88 I 3.9657 7.9002 120.8043 60.3362 37.0826 176.0399 89 K 3.9169 8.6892 128.9543 59.2038 32.6680 176.7660 90 E 4.8373 7.8300 117.9847 55.5010 32.8991 173.5424 91 D 3.9931 8.3155 123.5871 52.1335 42.4157 174.2140 92 N 4.8272 6.9840 113.7911 52.3228 37.6782 175.5497 93 S 4.1448 7.9969 113.7096 58.3446 63.4486 172.7321 94 P 4.3494 0.0000 0.0000 64.9979 31.1768 176.8096 95 D 4.5452 7.9663 117.2516 52.5108 40.9087 177.2552 96 Q 3.8540 8.1043 117.1563 56.7543 27.0872 175.6434 97 V 3.6626 7.3997 119.2461 66.0468 31.5138 178.0849 98 G 3.6496 7.8484 103.9165 47.7163 0.0000 175.2803 99 V 3.7781 7.5812 119.2448 65.3192 32.2911 178.2485 100 K 4.2822 7.8661 118.5992 57.8311 30.8629 176.4491 *102 G 3.8141 8.0034 106.5224 45.9838 0.0000 173.0618 103 W 4.8964 8.7873 121.9553 56.8558 30.0317 176.1932 104 K 4.9991 9.4374 122.8623 55.2226 35.5623 177.2937 105 S 4.6131 9.0337 112.7038 58.5989 67.4043 174.3111 106 K 4.5261 8.5837 121.7277 53.9713 33.9916 175.5130 107 A 4.1832 8.4505 124.3240 54.3995 18.4669 178.1351 108 G 4.0431 8.9868 112.2889 45.0710 0.0000 173.7763 109 D 4.7210 8.1596 120.5118 54.7120 41.8649 175.6506 110 T 5.0343 8.2989 110.7066 60.1256 72.5344 172.9381 111 I 4.8125 8.3841 122.5500 59.4937 41.2503 174.9103 112 V 4.9392 8.4549 124.7597 60.2230 34.5378 174.9085 113 C 4.5563 9.1767 125.0107 57.2535 32.3213 174.0080 114 L 3.9708 8.4581 127.4922 57.3349 42.1518 177.5159 115 P 4.2525 0.0000 0.0000 65.4340 31.2826 176.6948 116 H 4.6985 8.0790 112.0380 54.8700 29.3033 174.8802 117 K 3.8726 8.0189 118.6299 57.3906 30.1050 174.5635 118 V 4.8822 7.7870 118.5226 61.5147 33.4912 174.3247 119 F 5.5207 9.2336 129.0598 56.4993 43.2187 173.1793 120 V 4.6808 8.3488 125.3504 60.8827 34.3989 173.6294 121 E 4.6819 8.7908 128.2928 54.3148 32.7952 174.1495 122 I 4.8421 8.5372 127.7761 59.8446 39.1808 174.7994 123 K 4.8869 8.9207 126.5783 54.3087 35.4746 175.7621 124 S 4.7462 8.7296 118.7308 58.3580 63.4390 174.0271 125 T 4.1884 8.5283 115.4144 61.8363 68.7659 174.4789 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 39 G 8.35 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 40 D 8.55 4.37 0.00 2.71 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 41 E 9.40 4.79 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 42 V 8.90 5.04 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 0.69 0.00 0.00 0.97 0.00 0.00 43 V 8.76 4.81 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 1.10 0.00 0.00 0.93 0.00 0.00 44 A 9.03 4.96 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 45 I 8.97 4.75 1.88 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 1.23 0.96 0.95 0.00 0.00 46 I 8.75 4.92 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 1.07 0.00 0.00 47 S 9.36 5.30 0.00 3.88 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 48 Q 8.79 4.83 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.25 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 49 N 10.26 4.14 0.00 2.80 2.84 0.00 0.00 7.34 7.60 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 50 G 8.49 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.73 4.35 0.00 2.01 1.76 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.38 7.81 52 V 8.35 4.15 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 0.88 0.00 0.00 0.97 0.00 0.00 53 I 8.95 4.31 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.94 0.00 0.00 54 R 7.74 4.65 0.00 1.57 1.59 0.00 3.02 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.00 55 E 8.79 4.98 0.00 1.80 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 0.00 2.20 2.29 0.00 56 I 8.85 4.41 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.88 0.00 0.00 57 P 0.00 4.72 0.00 2.05 2.01 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 58 L 8.79 4.32 0.00 1.71 1.84 1.01 0.63 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 59 T 7.77 4.24 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 1.21 0.00 0.00 60 G 9.50 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 61 H 8.17 4.36 0.00 3.27 3.46 0.00 5.73 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 62 K 8.19 4.38 0.00 1.65 1.57 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.51 7.81 63 G 8.87 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 0.00 0.00 0.00 64 N 8.37 5.56 0.00 2.83 2.72 0.00 0.00 6.57 7.65 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 65 E 9.55 4.89 0.00 2.13 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 2.35 2.35 0.00 66 Q 8.90 5.18 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 67 F 8.26 5.09 0.00 3.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.66 4.79 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 1.34 0.00 0.00 69 I 8.75 4.38 1.92 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 1.44 1.05 0.98 0.00 0.00 70 K 8.82 4.92 0.00 1.67 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 71 G 8.67 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 0.00 0.00 0.00 0.00 72 K 8.45 4.10 0.00 1.97 1.74 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.39 7.81 73 G 8.20 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 74 A 8.64 4.66 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.05 4.41 0.00 1.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 76 Y 8.93 5.37 0.00 2.98 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 77 N 9.07 4.84 0.00 2.59 2.60 0.00 0.00 6.95 6.07 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 78 L 8.99 4.55 0.00 1.90 1.72 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *80 E 8.39 4.50 0.00 2.05 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 0.00 2.55 2.43 0.00 81 V 9.04 4.98 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 0.98 0.00 0.00 1.07 0.00 0.00 82 D 9.08 5.21 0.00 3.05 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 0.00 0.00 0.00 83 G 8.35 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 84 E 8.83 4.70 0.00 1.93 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 2.40 2.29 0.00 85 R 7.80 5.05 0.00 1.36 1.88 0.00 2.61 0.00 0.00 2.76 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.29 0.00 86 I 8.97 5.54 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.00 1.03 0.00 0.00 87 R 8.64 4.75 0.00 1.26 1.05 0.00 2.28 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 88 I 7.90 3.97 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.43 0.86 0.00 0.00 89 K 8.69 3.92 0.00 1.69 1.84 0.00 2.01 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.28 7.81 90 E 7.83 4.84 0.00 2.04 1.75 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 2.39 2.32 0.00 91 D 8.32 3.99 0.00 2.51 2.33 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 92 N 6.98 4.83 0.00 2.96 2.98 0.00 0.00 6.98 7.52 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 93 S 8.00 4.14 0.00 3.84 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 94 P 0.00 4.35 0.00 2.18 2.21 0.00 3.66 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 1.95 1.93 0.00 95 D 7.97 4.55 0.00 2.80 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.10 3.85 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 97 V 7.40 3.66 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 0.91 0.00 0.00 98 G 7.85 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.58 3.78 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 0.80 0.00 0.00 0.83 0.00 0.00 100 K 7.87 4.28 0.00 1.93 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.52 7.81 *102 G 8.00 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 0.00 0.00 0.00 103 W 8.79 4.90 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.44 5.00 0.00 1.64 1.77 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.52 1.48 7.81 105 S 9.03 4.61 0.00 4.02 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 0.00 106 K 8.58 4.53 0.00 1.95 1.74 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.36 7.81 107 A 8.45 4.18 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 0.00 108 G 8.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.16 4.72 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 5.03 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 1.29 0.00 0.00 111 I 8.38 4.81 1.77 0.00 0.00 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 1.23 0.73 0.87 0.00 0.00 112 V 8.45 4.94 2.35 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 0.76 0.00 0.00 1.04 0.00 0.00 113 C 9.18 4.56 0.00 2.89 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 0.00 114 L 8.46 3.97 0.00 1.71 1.63 0.90 0.95 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 0.00 115 P 0.00 4.25 0.00 2.00 2.09 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 116 H 8.08 4.70 0.00 3.08 3.29 0.00 5.86 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 0.00 117 K 8.02 3.87 0.00 2.01 1.90 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.37 7.81 118 V 7.79 4.88 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 1.04 0.00 0.00 119 F 9.23 5.52 0.00 3.04 2.86 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 0.00 120 V 8.35 4.68 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 0.87 0.00 0.00 0.87 0.00 0.00 121 E 8.79 4.68 0.00 1.74 1.64 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 2.17 2.23 0.00 122 I 8.54 4.84 2.01 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 1.21 0.55 0.95 0.00 0.00 123 K 8.92 4.89 0.00 1.65 1.67 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 124 S 8.73 4.75 0.00 3.89 3.76 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 0.00 0.00 0.00 125 T 8.53 4.19 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.