NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1934 8.2649 123.5772 51.0623 20.9904 176.4125 3 I 4.1059 7.2998 120.4414 57.6177 37.9293 170.8359 4 V 3.7540 8.0915 127.0403 61.4504 33.3737 177.0852 *5 K 4.5323 8.3467 120.4426 54.1988 33.4258 175.3794 6 V 4.6098 8.0600 119.2492 60.0415 34.4298 174.4638 7 T 4.8690 8.8881 111.0931 59.7747 72.1167 174.3083 8 D 4.4378 9.3253 119.4257 56.9677 40.9768 179.2250 9 A 4.0136 7.7356 121.1046 54.5633 18.5342 177.8305 10 D 4.8795 7.9613 112.2692 52.9508 40.1238 177.3342 11 F 3.8554 8.0248 122.4885 62.2403 39.0031 176.6614 12 D 4.6462 8.3807 117.7983 57.4584 40.6880 178.9527 13 S 4.1792 7.7339 112.3354 61.4859 62.7237 175.9264 14 K 4.2179 7.9345 119.7722 57.4566 32.4830 177.3190 15 V 3.9883 7.6416 119.2755 60.1312 30.4638 173.4346 16 E 4.7786 8.1144 123.7134 56.7643 35.6160 176.5607 17 S 4.7691 7.9016 114.8350 57.0657 66.0585 178.0020 18 G 3.8231 8.8351 112.5499 43.4271 0.0000 171.0281 19 V 4.8912 8.1576 118.0936 61.3891 33.5498 176.0167 20 Q 5.0628 9.1862 126.0474 53.9898 33.3069 173.9138 21 L 4.8564 8.8818 124.8743 53.4813 44.5907 175.0601 22 V 4.5379 8.9398 127.6586 61.3839 33.5345 173.9442 23 D 4.9701 9.1194 129.2752 53.1192 42.6813 175.2165 24 F 5.1212 9.3648 127.0185 56.4947 40.3063 175.2230 25 W 5.2059 8.6892 120.6662 55.7034 32.3254 173.4160 26 A 3.6503 7.9088 118.3175 50.8338 21.0627 177.9398 27 T 3.9906 7.9339 110.2357 64.3474 68.9473 175.5660 28 W 4.3552 7.2802 116.4291 57.2163 29.0139 177.0328 29 C 4.6590 7.4590 120.5664 55.5573 39.3338 173.8188 30 G 3.7219 8.6832 116.2885 47.9894 0.0000 174.3978 31 S 4.2644 8.1139 116.2968 60.8669 63.1111 177.0272 32 C 4.4723 8.0654 121.9511 60.5471 39.7083 176.6733 33 K 3.8797 7.7031 124.6013 59.8353 31.3076 180.7469 34 M 4.4221 7.8818 117.2636 58.7593 32.5866 177.8857 35 I 4.0207 8.1135 119.8167 63.5089 37.2952 177.7466 36 A 3.8276 7.9124 122.4074 55.0091 18.0424 177.9108 37 P 4.4518 0.0000 0.0000 65.4662 31.2449 178.6446 38 V 3.6027 7.7389 117.5087 65.7585 31.4973 177.9042 39 L 3.9577 7.8585 118.7700 57.7509 41.4081 179.2079 40 E 4.1500 8.2921 121.0565 59.8469 29.3180 180.0688 41 E 4.0781 8.0020 118.1212 61.0241 29.8589 181.5197 42 L 4.2304 8.0479 121.6554 58.0533 41.8368 178.8844 43 A 4.0372 8.4101 119.8295 55.0753 18.3724 179.2084 44 A 4.1192 8.0494 119.3484 55.3962 18.3787 179.6152 45 D 4.3913 8.2536 115.6299 56.5115 41.0416 176.7887 46 Y 4.4413 7.6992 116.6363 57.1579 38.6179 174.7810 47 E 4.0966 7.7487 122.0407 57.9545 29.7446 177.2242 48 G 3.9840 9.2934 117.6493 45.8502 0.0000 174.2583 49 K 4.3898 8.2385 119.6617 55.5900 33.2543 181.8268 50 A 5.0556 7.7166 118.2311 50.2059 22.5401 174.8160 51 D 4.9863 8.7167 119.0317 52.6442 43.5585 175.6599 52 I 4.8737 8.1926 121.9686 59.5800 40.2271 174.5787 53 L 5.0036 8.8906 126.4080 52.7652 45.8410 175.4906 54 K 5.0663 8.6932 119.7393 54.5870 35.9341 175.1895 55 L 5.0433 9.0539 126.2088 53.0511 45.1575 175.1971 56 D 3.8017 8.7064 126.9715 53.6329 40.8998 177.0348 57 V 3.7509 8.1578 122.1720 64.4393 31.8623 177.9613 58 D 4.5301 8.1647 119.3218 57.0443 40.6667 177.1923 59 E 4.3294 8.1320 115.6628 57.2184 30.2926 175.8661 60 N 5.7983 7.9856 115.9023 49.6006 39.5754 173.8237 61 P 4.3603 0.0000 0.0000 65.9118 31.7719 178.5203 62 S 4.0985 7.9887 113.6802 61.7366 62.4948 176.5191 63 T 3.8849 8.4197 119.3476 66.0440 68.0404 176.5958 64 A 4.1364 7.8748 121.7847 55.0310 18.4243 179.6032 65 A 3.8681 8.3245 119.7552 55.2061 18.2811 179.6218 66 K 3.6844 8.1868 117.3408 59.0841 32.0725 177.4829 67 Y 4.5884 7.2965 114.8334 56.8598 38.9219 175.1476 68 E 3.6420 7.8958 117.0204 57.1910 27.7805 175.8512 69 V 3.7137 7.7080 119.1363 62.7851 30.8858 175.0651 70 M 4.2719 8.6187 127.3665 56.6968 32.7379 176.8359 71 S 4.9786 7.7690 110.2101 56.3395 65.9502 172.6028 72 I 4.8525 7.8835 113.0027 58.2389 40.6330 172.9383 73 P 4.7926 0.0000 0.0000 63.4812 32.7114 175.1977 74 T 5.1832 8.5568 116.5228 61.8998 72.8956 172.7772 75 L 5.4992 9.3014 125.3001 53.0537 45.3712 175.4956 76 I 4.9313 8.8291 123.7927 59.4647 40.9142 174.5630 77 V 4.5209 8.6829 127.4001 61.8834 32.8341 174.5362 78 F 5.2032 9.7133 127.3255 55.6797 41.9156 174.7619 79 K 4.7841 8.9797 123.2749 55.2334 35.1546 176.0279 80 D 4.6514 9.2120 128.7986 54.4052 38.7543 174.6685 81 G 4.0339 8.1725 102.9401 45.8766 0.0000 172.6100 82 Q 4.8248 8.1967 119.7194 52.8788 31.3022 173.2033 83 P 3.8088 0.0000 0.0000 62.7515 31.5504 176.2683 84 V 4.3298 8.3261 115.6541 60.9726 33.4394 175.0005 85 D 4.6629 7.4056 118.6891 53.1171 44.6629 173.6556 86 K 5.0458 8.4314 123.5273 54.7614 35.6095 175.2910 87 V 4.4710 9.1842 126.8687 61.0488 34.4317 174.2160 88 V 4.6686 8.4205 126.9059 62.1237 34.1997 176.3821 89 G 3.9812 8.7806 116.1517 44.1944 0.0000 172.9754 90 F 4.2166 8.5511 120.3406 58.4336 39.8554 174.4538 91 Q 4.3608 6.6509 124.5297 52.5928 32.6962 173.6022 92 P 4.3656 0.0000 0.0000 61.9308 33.6521 177.1783 93 K 3.8143 8.7385 122.1605 60.6385 31.8206 178.7917 94 E 3.9766 8.2575 117.5704 61.5661 29.6477 180.3721 95 N 4.4658 8.1634 116.8388 56.3285 38.6886 177.4215 96 L 3.9368 7.6673 120.0291 57.6630 41.6074 179.4632 97 A 3.8825 8.0851 120.8456 55.0043 18.4387 179.2734 98 E 3.8678 8.4709 118.1337 59.3308 29.3999 179.2521 99 V 3.6858 7.3294 117.2942 65.5141 31.8241 177.8761 100 L 4.0872 7.6687 118.7353 57.9687 41.5174 179.1464 101 D 4.5706 8.3371 118.8118 57.0579 40.5145 178.1319 102 K 4.3000 7.4084 116.8766 57.9035 32.2526 176.4909 103 H 4.9270 8.3026 112.8694 55.7381 31.0659 173.3782 104 L 4.2693 7.6321 123.2552 54.9134 41.5120 176.4471 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 A 8.26 4.19 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 3 I 7.30 4.11 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.88 0.00 0.00 4 V 8.09 3.75 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 0.72 0.00 0.00 0.90 0.00 0.00 *5 K 8.35 4.53 0.00 1.58 1.68 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.57 7.81 6 V 8.06 4.61 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 0.97 0.00 0.00 0.96 0.00 0.00 7 T 8.89 4.87 4.43 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 1.24 0.00 0.00 8 D 9.33 4.44 0.00 2.76 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 9 A 7.74 4.01 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 10 D 7.96 4.88 0.00 2.79 2.87 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 0.00 0.00 0.00 11 F 8.02 3.86 0.00 3.35 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 12 D 8.38 4.65 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 13 S 7.73 4.18 0.00 3.85 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 14 K 7.93 4.22 0.00 1.48 1.68 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.49 7.81 15 V 7.64 3.99 1.13 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 -0.01 0.00 0.00 -0.29 0.00 0.00 16 E 8.11 4.78 0.00 2.12 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 2.22 2.28 0.00 17 S 7.90 4.77 0.00 3.59 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 3.82 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 0.00 0.00 0.00 19 V 8.16 4.89 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 1.01 0.00 0.00 0.96 0.00 0.00 20 Q 9.19 5.06 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 21 L 8.88 4.86 0.00 1.67 1.46 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.94 4.54 2.38 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 0.47 0.00 0.00 0.84 0.00 0.00 23 D 9.12 4.97 0.00 2.79 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 24 F 9.36 5.12 0.00 3.24 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 25 W 8.69 5.21 0.00 3.44 3.15 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 26 A 7.91 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.93 3.99 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 1.20 0.00 0.00 28 W 7.28 4.36 0.00 3.57 3.26 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 29 C 7.46 4.66 0.00 2.28 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 G 8.68 3.72 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 0.00 0.00 0.00 31 S 8.11 4.26 0.00 4.20 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 0.00 32 C 8.07 4.47 0.00 3.32 3.31 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 33 K 7.70 3.88 0.00 1.82 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 34 M 7.88 4.42 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 35 I 8.11 4.02 2.02 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 1.14 1.10 0.84 0.00 0.00 36 A 7.91 3.83 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 37 P 0.00 4.45 0.00 2.28 2.32 0.00 3.96 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 2.20 1.91 0.00 38 V 7.74 3.60 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 1.00 0.00 0.00 0.98 0.00 0.00 39 L 7.86 3.96 0.00 1.84 1.62 0.83 0.85 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 40 E 8.29 4.15 0.00 2.14 1.97 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 2.26 2.49 0.00 41 E 8.00 4.08 0.00 1.95 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 2.24 2.18 0.00 42 L 8.05 4.23 0.00 1.85 1.82 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.41 4.04 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 44 A 8.05 4.12 1.39 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 0.00 0.00 45 D 8.25 4.39 0.00 3.03 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 46 Y 7.70 4.44 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 47 E 7.75 4.10 0.00 1.98 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 2.32 2.27 0.00 48 G 9.29 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 0.00 0.00 0.00 49 K 8.24 4.39 0.00 1.74 1.70 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.23 7.81 50 A 7.72 5.06 1.19 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 0.00 0.00 0.00 0.00 0.00 51 D 8.72 4.99 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.87 1.83 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 1.28 1.12 0.85 0.00 0.00 53 L 8.89 5.00 0.00 1.44 1.51 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.69 5.07 0.00 1.69 1.75 0.00 1.27 0.00 0.00 1.23 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.21 7.81 55 L 9.05 5.04 0.00 1.51 0.99 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.71 3.80 0.00 2.39 2.37 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 57 V 8.16 3.75 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 0.89 0.00 0.00 1.01 0.00 0.00 58 D 8.16 4.53 0.00 2.79 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 59 E 8.13 4.33 0.00 2.16 1.97 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 2.27 1.89 0.00 60 N 7.99 5.80 0.00 2.73 2.87 0.00 0.00 7.00 9.28 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 61 P 0.00 4.36 0.00 2.27 2.33 0.00 3.66 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 62 S 7.99 4.10 0.00 4.04 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 63 T 8.42 3.88 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 0.58 0.00 0.00 64 A 7.87 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 3.87 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 66 K 8.19 3.68 0.00 1.58 1.69 0.00 1.62 0.00 0.00 1.46 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.41 1.14 7.81 67 Y 7.30 4.59 0.00 2.87 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 68 E 7.90 3.64 0.00 2.07 1.97 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 2.23 2.35 0.00 69 V 7.71 3.71 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 0.65 0.00 0.00 0.01 0.00 0.00 70 M 8.62 4.27 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 71 S 7.77 4.98 0.00 4.01 3.87 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 0.00 0.00 0.00 72 I 7.88 4.85 2.06 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 1.57 0.63 1.04 0.00 0.00 73 P 0.00 4.79 0.00 2.21 2.30 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 74 T 8.56 5.18 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 1.13 0.00 0.00 75 L 9.30 5.50 0.00 1.52 1.56 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.83 4.93 2.20 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.93 0.38 0.00 0.00 77 V 8.68 4.52 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 0.88 0.00 0.00 0.91 0.00 0.00 78 F 9.71 5.20 0.00 2.93 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 79 K 8.98 4.78 0.00 1.73 1.60 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 80 D 9.21 4.65 0.00 2.81 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 81 G 8.17 4.03 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 0.00 0.00 0.00 82 Q 8.20 4.82 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 83 P 0.00 3.81 0.00 1.87 1.32 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 84 V 8.33 4.33 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 0.66 0.00 0.00 0.66 0.00 0.00 85 D 7.41 4.66 0.00 2.64 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 0.00 0.00 0.00 0.00 86 K 8.43 5.05 0.00 1.68 1.56 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.38 7.81 87 V 9.18 4.47 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 0.80 0.00 0.00 0.91 0.00 0.00 88 V 8.42 4.67 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 0.88 0.00 0.00 0.93 0.00 0.00 89 G 8.78 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 0.00 0.00 0.00 90 F 8.55 4.22 0.00 3.03 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 91 Q 6.65 4.36 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 92 P 0.00 4.37 0.00 2.28 2.26 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 93 K 8.74 3.81 0.00 1.93 1.88 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.11 7.81 94 E 8.26 3.98 0.00 2.01 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 2.32 1.99 0.00 95 N 8.16 4.47 0.00 2.80 2.87 0.00 0.00 7.01 6.74 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 96 L 7.67 3.94 0.00 1.68 1.60 0.78 0.89 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 97 A 8.09 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.47 3.87 0.00 2.23 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 2.31 2.19 0.00 99 V 7.33 3.69 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 0.90 0.00 0.00 0.98 0.00 0.00 100 L 7.67 4.09 0.00 1.55 1.44 0.13 0.91 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 D 8.34 4.57 0.00 2.72 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 0.00 102 K 7.41 4.30 0.00 2.18 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.35 7.81 103 H 8.30 4.93 0.00 3.20 3.23 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.63 4.27 0.00 1.76 1.63 1.19 0.88 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 * Residues marked with a * may have inaccurate shift predictions.