NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3316 8.4293 120.2299 56.3040 30.9476 174.9871 5 T 3.9283 8.1725 110.8888 60.7504 69.8145 172.9992 6 I 4.0185 7.9946 124.9468 59.6754 38.6344 177.3279 7 N 4.5154 8.4996 125.2089 52.6858 38.8418 175.1445 8 L 3.9214 8.2915 128.5394 57.6815 42.0009 179.0392 9 K 3.8323 8.0763 118.9688 59.7764 31.5920 178.5641 10 Q 3.9528 8.4748 118.0477 59.3812 28.4380 178.4439 11 H 4.0560 8.3699 116.3479 58.8641 28.8545 177.6106 12 L 4.0902 8.2503 120.7604 57.5848 41.2305 179.3381 13 A 3.9644 7.9830 119.7475 54.8549 18.3215 179.2344 14 A 4.1623 7.4853 118.0124 53.6265 18.4911 177.8084 15 I 3.8941 6.9236 119.0634 61.1625 37.2277 175.9482 16 K 4.4337 8.5591 123.5425 55.9088 33.0004 175.8499 17 E 4.6963 7.4993 117.6509 54.3929 33.4584 175.2068 18 Y 4.3094 8.4482 119.3440 58.4775 38.7162 175.4914 19 W 3.4235 8.3936 119.7489 57.9257 27.2382 175.4042 20 Q 4.5183 7.3697 117.1388 52.7408 28.6434 173.1191 21 P 4.5962 0.0000 0.0000 62.6692 32.6095 175.3266 22 E 4.5970 9.1160 123.8627 54.7827 31.4804 174.3873 23 I 4.8409 8.3089 127.4182 59.8525 39.5990 175.2621 24 I 4.6285 8.8359 126.5961 59.8887 41.1671 173.8807 25 N 5.3753 8.9379 124.7311 52.3257 40.0084 175.5229 26 R 4.4808 8.5644 121.5388 55.4208 33.4757 176.1693 27 H 3.7195 8.5475 125.1083 57.0952 27.6306 177.4023 28 G 3.9704 8.5913 112.9682 46.8062 0.0000 171.9318 29 F 5.1014 8.4121 117.6189 55.2146 43.5749 173.6166 30 Q 5.0530 10.4139 122.7441 54.4078 31.6808 174.2148 31 F 5.5353 9.6160 124.8491 56.1641 42.8681 174.2353 32 H 5.2423 9.1689 117.9863 54.2089 32.6532 172.3508 33 L 5.2175 9.0182 124.2099 52.9264 44.0404 176.0734 34 V 4.7008 8.3823 122.8346 59.7870 35.4920 174.3652 35 K 4.9122 8.3155 120.7798 54.6474 35.0143 174.9473 36 L 4.1389 8.8606 124.2047 52.5522 44.7239 175.3509 37 L 4.6462 8.1240 124.0910 53.9812 45.0718 177.4961 38 G 3.7791 9.4439 113.4915 46.3809 0.0000 171.6966 39 D 5.4721 8.3055 122.7295 52.7605 42.4661 174.1804 40 Y 4.0736 7.6224 114.7561 57.5462 39.3383 176.9888 41 G 3.6730 9.6167 111.3404 44.5541 0.0000 172.2188 42 W 4.6730 8.4452 118.1578 55.5986 30.7146 175.7469 43 H 5.1203 8.9479 119.9860 54.3849 33.1079 172.3811 44 T 4.9307 8.3959 115.6131 62.4901 71.7957 174.0264 45 H 4.7762 8.6417 122.9496 54.8325 31.1420 174.0177 *47 Y 4.9699 8.3630 118.3303 59.2790 39.5094 176.5912 48 S 4.8097 7.6544 114.2028 57.2840 66.1102 177.1884 49 D 4.9350 8.8145 123.0628 54.3496 41.8583 175.9551 50 K 4.8185 8.4459 118.3483 54.8800 36.8791 175.7138 51 V 4.4790 8.7822 124.9201 62.2922 32.9120 174.4562 52 L 5.1784 9.0944 128.2911 52.9666 43.7505 175.6445 53 F 5.2381 9.6250 125.7700 56.3815 42.6784 173.4674 54 A 4.1875 8.1638 128.2161 50.9402 19.1945 177.7026 55 V 3.3670 8.8087 122.6114 65.8135 31.9486 175.7997 56 E 4.4619 7.8162 119.2164 55.4777 32.4437 177.2724 57 G 3.6700 9.2916 113.9348 44.8858 0.0000 171.5273 58 D 4.8152 8.1911 117.6524 52.2264 43.8392 174.6739 *60 A 4.2198 7.9611 120.8860 52.2518 20.5227 175.8336 61 V 4.5288 7.7913 117.3840 61.7131 34.8592 173.8032 62 D 4.9237 8.1801 127.8598 53.3599 42.9497 175.5769 63 F 5.5025 8.9324 119.0855 55.4887 42.0790 176.4362 64 A 3.6733 8.9854 124.5160 55.4243 18.1752 178.6225 65 D 4.6130 8.1376 112.1298 53.3793 40.0225 176.0725 66 G 4.1708 8.4897 109.6932 46.3233 0.0000 174.8107 67 G 4.0379 9.1685 108.7639 45.7666 0.0000 172.0762 68 S 5.1773 7.8592 112.5715 56.9343 66.0004 173.2850 *70 T 4.0936 8.3186 116.9202 64.3376 69.2816 173.2152 71 I 4.5651 8.3022 126.0943 59.6672 39.4360 175.4664 72 R 4.6033 8.8555 124.8031 53.9151 31.8191 175.4392 73 E 3.9165 8.5746 120.1709 58.5928 29.5959 177.5701 74 G 4.1231 9.5934 115.2635 45.3977 0.0000 172.6117 75 E 4.8000 8.1695 120.5041 54.4220 32.3379 174.5583 *77 A 4.4825 8.1169 119.6467 52.9501 20.3210 176.5656 78 V 4.8642 8.3190 111.5112 59.6813 34.5565 175.8796 79 V 4.4679 8.3854 122.1121 60.5229 33.6947 173.4468 80 P 4.7529 0.0000 0.0000 61.9306 32.1913 176.6177 81 K 3.9895 8.7755 122.1653 58.3097 33.0659 177.0839 82 S 4.2887 9.3039 117.7718 58.8145 59.7297 168.7549 83 V 4.5968 7.5335 112.0745 59.3400 35.0161 175.5742 84 S 4.7289 8.9110 120.5326 59.0432 63.7023 172.3286 85 H 5.1876 8.9932 120.4961 54.9726 32.3072 172.8195 86 R 4.5499 7.7866 119.0796 52.4391 31.7025 172.0958 87 P 4.7433 0.0000 0.0000 62.6595 32.1898 175.6780 88 R 4.8923 8.8060 119.2784 56.0754 33.1944 174.2796 89 S 4.2787 8.9549 113.3288 57.5471 65.5444 174.1176 90 E 3.9199 9.3361 129.4370 58.8139 29.7624 177.2218 91 N 4.8143 8.0534 113.6981 52.8561 39.2517 175.3242 92 G 4.0589 8.7921 105.2400 45.8999 0.0000 173.3866 93 C 4.7720 9.0174 122.8556 58.1465 35.8260 173.0087 94 S 4.8069 9.2560 122.9945 57.2272 63.4925 172.4408 95 L 4.8929 8.6032 127.8795 53.1472 44.4376 175.0254 96 V 4.7809 9.1246 126.3779 61.2096 33.8751 174.0171 97 L 5.3326 8.7878 129.1998 53.3658 45.2791 174.9671 98 I 5.0080 8.8747 126.0131 59.4957 40.6165 174.2748 99 E 5.1523 9.1537 124.3904 54.0720 33.4740 174.7736 100 L 4.4456 8.5658 123.3990 55.9996 41.4862 177.6874 101 S 4.4112 8.2105 118.2679 59.1182 62.0470 173.5712 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 4 E 8.43 4.33 0.00 1.97 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 2.21 2.31 0.00 5 T 8.17 3.93 4.20 0.00 0.00 0.00 0.00 0.00 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 6 I 7.99 4.02 1.57 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 0.64 0.00 0.00 7 N 8.50 4.52 0.00 2.75 2.73 0.00 0.00 7.15 6.66 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 8 L 8.29 3.92 0.00 1.79 1.72 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.08 3.83 0.00 1.86 2.00 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.59 7.81 10 Q 8.47 3.95 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 11 H 8.37 4.06 0.00 3.29 3.34 0.00 5.66 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 12 L 8.25 4.09 0.00 1.99 1.65 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.98 3.96 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 14 A 7.49 4.16 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 15 I 6.92 3.89 1.78 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 1.26 0.73 0.89 0.00 0.00 16 K 8.56 4.43 0.00 1.67 1.75 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.57 7.81 17 E 7.50 4.70 0.00 1.89 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 2.19 2.25 0.00 18 Y 8.45 4.31 0.00 3.29 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 19 W 8.39 3.42 0.00 3.35 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 20 Q 7.37 4.52 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 21 P 0.00 4.60 0.00 2.09 2.10 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 22 E 9.12 4.60 0.00 2.01 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 2.22 2.27 0.00 23 I 8.31 4.84 1.84 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.84 0.00 0.00 24 I 8.84 4.63 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.88 0.00 0.00 25 N 8.94 5.38 0.00 2.62 2.79 0.00 0.00 6.91 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 26 R 8.56 4.48 0.00 2.13 2.03 0.00 3.75 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 27 H 8.55 3.72 0.00 3.47 2.95 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.59 3.97 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 0.00 0.00 0.00 29 F 8.41 5.10 0.00 3.06 2.30 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 30 Q 10.41 5.05 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 31 F 9.62 5.54 0.00 2.95 2.88 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 32 H 9.17 5.24 0.00 3.05 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.02 5.22 0.00 1.59 1.54 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.38 4.70 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 0.63 0.00 0.00 0.71 0.00 0.00 35 K 8.32 4.91 0.00 1.29 1.44 0.00 1.21 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.24 7.81 36 L 8.86 4.14 0.00 1.31 1.21 0.56 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.12 4.65 0.00 0.69 0.69 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.44 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 39 D 8.31 5.47 0.00 2.89 2.65 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 40 Y 7.62 4.07 0.00 1.94 2.70 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 41 G 9.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.45 4.67 0.00 3.11 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 43 H 8.95 5.12 0.00 2.99 3.15 0.00 5.75 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 44 T 8.40 4.93 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 1.20 0.00 0.00 45 H 8.64 4.78 0.00 3.18 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 Y 8.36 4.97 0.00 3.07 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 48 S 7.65 4.81 0.00 3.35 3.56 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 0.00 0.00 0.00 49 D 8.81 4.93 0.00 2.60 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 50 K 8.45 4.82 0.00 1.67 1.60 0.00 1.30 0.00 0.00 1.42 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.30 7.81 51 V 8.78 4.48 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 1.05 0.00 0.00 0.93 0.00 0.00 52 L 9.09 5.18 0.00 1.54 1.59 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.63 5.24 0.00 2.97 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 54 A 8.16 4.19 1.21 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 0.00 0.00 0.00 55 V 8.81 3.37 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 0.72 0.00 0.00 0.72 0.00 0.00 56 E 7.82 4.46 0.00 1.86 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 2.24 2.21 0.00 57 G 9.29 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.82 0.00 2.63 2.58 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 *60 A 7.96 4.22 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 61 V 7.79 4.53 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 0.43 0.00 0.00 0.87 0.00 0.00 62 D 8.18 4.92 0.00 2.23 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.93 5.50 0.00 3.26 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 64 A 8.99 3.67 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 65 D 8.14 4.61 0.00 2.82 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 66 G 8.49 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 0.00 0.00 0.00 67 G 9.17 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 68 S 7.86 5.18 0.00 3.88 3.83 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 *70 T 8.32 4.09 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 1.22 0.00 0.00 71 I 8.30 4.57 1.87 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 1.45 0.64 0.94 0.00 0.00 72 R 8.86 4.60 0.00 1.86 1.91 0.00 3.17 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 73 E 8.57 3.92 0.00 1.96 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 2.29 0.00 74 G 9.59 4.12 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 0.00 0.00 0.00 75 E 8.17 4.80 0.00 2.10 1.95 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 2.28 2.36 0.00 *77 A 8.12 4.48 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 78 V 8.32 4.86 2.12 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 0.74 0.00 0.00 0.97 0.00 0.00 79 V 8.39 4.47 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 0.77 0.00 0.00 0.95 0.00 0.00 80 P 0.00 4.75 0.00 2.02 2.00 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 81 K 8.78 3.99 0.00 1.78 1.99 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.46 7.81 82 S 9.30 4.29 0.00 4.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 4.60 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 0.78 0.00 0.00 1.24 0.00 0.00 84 S 8.91 4.73 0.00 3.98 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 85 H 8.99 5.19 0.00 2.87 3.26 0.00 5.26 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.79 4.55 0.00 0.67 0.66 0.00 2.80 0.00 0.00 2.33 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.03 0.00 87 P 0.00 4.74 0.00 2.15 2.01 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 88 R 8.81 4.89 0.00 1.84 1.85 0.00 3.08 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 89 S 8.95 4.28 0.00 3.86 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 90 E 9.34 3.92 0.00 1.94 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 2.29 2.39 0.00 91 N 8.05 4.81 0.00 2.72 2.78 0.00 0.00 7.16 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 92 G 8.79 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 0.00 0.00 0.00 0.00 93 C 9.02 4.77 0.00 3.16 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 94 S 9.26 4.81 0.00 3.92 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 95 L 8.60 4.89 0.00 1.63 1.37 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.12 4.78 2.27 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 1.08 0.00 0.00 0.99 0.00 0.00 97 L 8.79 5.33 0.00 1.75 1.49 0.86 0.60 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 98 I 8.87 5.01 1.79 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 1.35 0.66 0.50 0.00 0.00 99 E 9.15 5.15 0.00 1.97 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 2.26 0.00 100 L 8.57 4.45 0.00 1.50 1.45 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.21 4.41 0.00 3.42 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.