NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1433 8.2549 120.8589 56.1014 30.8392 174.8973 3 K 4.3343 8.4136 126.0109 53.8258 32.4468 170.7844 4 V 3.8281 10.2129 129.0756 62.9147 33.0646 174.7688 5 R 4.6218 9.8364 128.1254 54.5908 30.9675 176.0224 6 P 4.1528 0.0000 0.0000 65.5644 31.6405 178.2751 7 E 4.1268 8.1492 114.9730 58.5569 29.9315 177.8666 8 E 4.3507 8.7838 118.1782 56.3018 29.8602 177.4877 9 L 3.8880 7.2902 120.4743 58.1212 42.0859 176.8617 10 P 4.2607 0.0000 0.0000 65.7356 31.0340 178.3507 11 A 4.0008 7.8976 117.8140 55.0882 18.6289 179.2921 12 L 4.0610 7.6760 117.3446 58.1019 41.6512 179.7300 13 L 3.9952 7.9963 118.8035 57.9482 41.3013 179.5223 14 E 4.0707 8.0792 117.5164 59.0558 29.3849 178.7979 15 E 4.2052 8.0373 118.5633 57.8511 29.6007 177.7976 16 G 4.1328 7.8844 105.5605 44.7859 0.0000 173.8085 17 V 3.6454 7.6423 111.8641 61.6997 32.4733 175.6055 18 L 4.3063 8.2375 125.8084 54.3531 43.1337 175.7802 19 V 4.2254 8.3457 127.0332 62.3319 33.4872 174.6747 20 V 5.3572 8.2338 126.3047 60.1286 34.6176 173.7136 21 D 5.1232 8.8375 128.5622 53.9177 41.7383 176.6558 22 V 4.3585 8.2057 118.8274 60.9449 32.4293 177.3405 23 R 4.0476 8.2454 121.0067 55.6692 30.3760 174.9343 24 P 4.9075 0.0000 0.0000 61.7417 32.7369 176.6896 25 A 4.0665 8.3561 122.3022 52.7099 15.8007 177.1133 *29 S 5.1469 7.8979 113.7250 58.0781 62.8708 173.2281 30 T 4.2641 8.7656 114.2136 59.4583 69.9500 174.0190 31 P 4.2751 0.0000 0.0000 63.0488 32.0044 176.7656 32 L 4.3477 7.9675 122.9049 53.0963 40.6130 175.1671 33 P 4.5241 0.0000 0.0000 62.0152 31.0083 176.8430 34 F 4.9768 7.6768 115.8853 56.5241 43.3174 175.7484 35 A 4.3564 8.6184 127.1726 52.0363 16.5193 177.1709 36 A 4.5652 7.6684 123.7277 51.6766 20.4730 178.3112 37 E 4.5681 9.1985 120.9513 53.9051 31.8861 175.0627 38 W 4.7545 8.9495 135.0000 57.4436 31.5196 175.6686 39 V 3.7262 7.9241 126.8829 60.1774 33.7618 172.9037 40 P 3.8664 0.0000 0.0000 62.4478 32.1122 177.4683 41 L 3.8061 8.4719 123.3052 58.3235 41.9729 179.1906 42 E 3.8159 8.0569 117.0345 59.4702 29.0574 178.8596 43 K 3.8620 7.6587 118.8008 58.6990 32.5856 178.0375 44 I 3.9585 7.0661 119.8781 63.4490 37.1449 178.0256 45 Q 2.6692 7.7716 118.5587 57.6809 28.1759 177.7978 46 K 4.3081 7.6925 118.0371 55.4941 32.2547 178.2296 47 G 4.0609 7.7671 107.4451 45.8641 0.0000 173.5506 48 E 4.2974 7.5786 116.6827 56.8192 30.0000 175.9508 49 H 4.8239 7.8100 114.0478 55.2456 31.0863 174.0224 50 G 4.1418 8.2503 104.5441 44.8460 0.0000 172.7551 51 L 3.9692 8.2534 119.0904 54.1558 41.9660 175.5884 52 P 4.5702 0.0000 0.0000 62.8391 32.5350 176.7177 53 R 4.3887 8.2580 118.7179 55.4672 28.9346 176.0007 54 R 4.7576 7.3591 113.0927 53.1031 33.1603 173.6742 55 P 4.4622 0.0000 0.0000 63.6920 32.3876 175.2426 56 L 4.9228 9.0081 123.4511 52.7182 45.8685 175.3617 57 L 4.6471 8.2685 123.7529 53.3346 44.6642 175.4494 58 L 4.8615 8.3819 126.3623 54.4155 43.9051 176.2910 59 V 4.8872 8.3013 113.4894 60.8224 36.8714 173.9030 60 C 4.6203 8.3155 116.3933 57.8760 32.1833 172.2196 61 E 3.9387 9.3335 117.8245 58.8956 28.5854 178.6160 62 K 4.3672 8.1982 120.0381 56.1782 33.1543 177.7144 63 G 3.9703 8.2749 107.3631 45.3643 0.0000 174.8443 64 L 4.1570 7.6122 119.8715 57.5427 42.6151 178.9534 65 L 3.9735 8.1145 118.1020 58.1508 41.3787 179.8410 66 S 4.1696 8.1426 113.1149 61.3256 62.8207 175.9297 67 Q 3.9981 7.9966 123.1694 58.3701 28.6672 178.0248 68 V 3.7305 7.8197 119.4106 65.9191 31.8240 177.7153 69 A 4.0603 8.1934 119.7272 55.1365 18.0155 179.3857 70 A 3.8702 7.7441 119.0072 55.2725 18.2972 179.4429 71 L 3.8726 7.1792 116.1163 58.8378 42.4258 178.3107 72 Y 4.0373 8.2456 116.5812 61.3069 37.8691 178.6612 73 L 4.0894 8.7828 120.0272 58.0699 41.6436 179.6969 74 E 4.6329 9.1378 120.0651 58.8247 29.1033 179.1917 75 A 4.0215 7.9095 121.3622 55.0641 18.5843 177.6746 76 E 4.4023 8.2570 113.6598 56.7213 29.4301 176.8136 77 G 3.7969 7.8236 105.8218 46.6145 0.0000 173.5857 78 Y 4.5116 7.6919 116.2529 56.2505 40.4537 175.0773 79 E 4.7534 8.7549 124.1916 54.8285 28.4400 174.3805 80 A 5.7528 8.0466 124.8677 49.1617 22.0280 176.4016 *82 S 4.2551 8.2663 112.6293 57.8971 64.2755 172.5618 83 L 4.5267 8.5849 129.1316 54.5683 42.5460 175.8496 84 E 4.1459 9.4306 129.9216 57.5722 30.1284 177.3057 85 G 3.9206 8.8717 113.9683 44.4260 0.0000 174.5395 86 G 4.2490 7.4917 106.5737 45.9092 0.0000 173.2302 87 L 4.3000 8.7495 118.8947 57.8088 42.0601 178.3257 88 Q 4.0239 8.2731 115.5834 58.4145 28.8763 176.7910 89 A 4.3080 7.4575 123.8747 52.1708 19.0521 176.5290 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 8.25 4.14 0.00 1.76 1.92 0.00 3.23 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 3 K 8.41 4.33 0.00 1.75 1.77 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.44 7.81 4 V 10.21 3.83 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 0.90 0.00 0.00 0.89 0.00 0.00 5 R 9.84 4.62 0.00 2.01 2.00 0.00 3.59 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 1.61 1.75 0.00 6 P 0.00 4.15 0.00 2.19 2.18 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 7 E 8.15 4.13 0.00 2.08 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 0.00 2.43 2.33 0.00 8 E 8.78 4.35 0.00 1.98 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 2.27 2.43 0.00 9 L 7.29 3.89 0.00 1.95 1.74 1.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.26 0.00 2.21 2.13 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 11 A 7.90 4.00 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 12 L 7.68 4.06 0.00 1.79 1.68 0.87 0.82 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 13 L 8.00 4.00 0.00 1.73 1.76 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.08 4.07 0.00 2.17 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 2.36 2.56 0.00 15 E 8.04 4.21 0.00 2.08 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 2.34 2.66 0.00 16 G 7.88 4.13 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 0.00 0.00 0.00 17 V 7.64 3.65 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 0.71 0.00 0.00 0.87 0.00 0.00 18 L 8.24 4.31 0.00 1.74 1.54 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.35 4.23 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 0.82 0.00 0.00 0.75 0.00 0.00 20 V 8.23 5.36 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 0.73 0.00 0.00 0.87 0.00 0.00 21 D 8.84 5.12 0.00 3.01 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 22 V 8.21 4.36 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 0.94 0.00 0.00 0.98 0.00 0.00 23 R 8.25 4.05 0.00 2.04 1.97 0.00 3.43 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 24 P 0.00 4.91 0.00 2.28 2.17 0.00 3.86 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 2.05 2.01 0.00 25 A 8.36 4.07 1.23 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 0.00 0.00 0.00 0.00 0.00 *29 S 7.90 5.15 0.00 3.87 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 30 T 8.77 4.26 4.23 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 0.00 0.00 1.21 0.00 0.00 31 P 0.00 4.28 0.00 1.98 1.98 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 32 L 7.97 4.35 0.00 1.66 1.54 1.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.52 0.00 1.65 1.77 0.00 3.20 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 0.49 1.44 0.00 34 F 7.68 4.98 0.00 3.06 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 35 A 8.62 4.36 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 36 A 7.67 4.57 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 37 E 9.20 4.57 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 2.21 2.26 0.00 38 W 8.95 4.75 0.00 3.34 3.21 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 39 V 7.92 3.73 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 0.70 0.00 0.00 0.83 0.00 0.00 40 P 0.00 3.87 0.00 1.88 1.72 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.00 41 L 8.47 3.81 0.00 1.63 1.56 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 3.82 0.00 2.20 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 2.32 2.33 0.00 43 K 7.66 3.86 0.00 1.57 1.79 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 44 I 7.07 3.96 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.70 0.00 0.00 45 Q 7.77 2.67 0.00 1.68 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 1.60 2.19 0.00 46 K 7.69 4.31 0.00 1.68 1.78 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.47 7.81 47 G 7.77 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 48 E 7.58 4.30 0.00 2.08 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 2.32 2.21 0.00 49 H 7.81 4.82 0.00 3.12 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.25 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 0.00 0.00 0.00 0.00 51 L 8.25 3.97 0.00 1.41 1.53 0.58 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.57 0.00 2.23 2.11 0.00 3.78 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 2.04 2.02 0.00 53 R 8.26 4.39 0.00 1.80 1.86 0.00 2.95 0.00 0.00 2.56 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 54 R 7.36 4.76 0.00 1.88 1.88 0.00 3.09 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 55 P 0.00 4.46 0.00 2.10 2.24 0.00 3.55 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 2.13 2.16 0.00 56 L 9.01 4.92 0.00 1.51 1.45 0.64 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.27 4.65 0.00 1.59 1.38 0.85 0.72 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 58 L 8.38 4.86 0.00 1.60 1.51 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.30 4.89 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 0.64 0.00 0.00 1.06 0.00 0.00 60 C 8.32 4.62 0.00 2.99 3.05 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 0.00 0.00 0.00 0.00 61 E 9.33 3.94 0.00 2.15 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 2.40 2.60 0.00 62 K 8.20 4.37 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 G 8.27 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 64 L 7.61 4.16 0.00 1.74 1.71 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.11 3.97 0.00 1.69 1.73 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.14 4.17 0.00 3.96 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 0.00 67 Q 8.00 4.00 0.00 2.39 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 68 V 7.82 3.73 2.29 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 1.29 0.00 0.00 0.98 0.00 0.00 69 A 8.19 4.06 1.27 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 0.00 0.00 0.00 70 A 7.74 3.87 1.42 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 0.00 0.00 71 L 7.18 3.87 0.00 1.66 1.78 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.25 4.04 0.00 3.19 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 73 L 8.78 4.09 0.00 1.62 1.50 0.69 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.14 4.63 0.00 2.21 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 2.38 0.00 75 A 7.91 4.02 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 76 E 8.26 4.40 0.00 2.54 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 0.00 2.42 2.45 0.00 77 G 7.82 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 0.00 0.00 0.00 78 Y 7.69 4.51 0.00 3.13 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 79 E 8.75 4.75 0.00 2.07 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 2.31 2.31 0.00 80 A 8.05 5.75 1.17 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 *82 S 8.27 4.26 0.00 3.93 3.77 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 83 L 8.58 4.53 0.00 1.74 1.55 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.43 4.15 0.00 1.86 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 2.27 0.00 85 G 8.87 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 0.00 0.00 0.00 86 G 7.49 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 87 L 8.75 4.30 0.00 1.65 1.78 1.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.27 4.02 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 89 A 7.46 4.31 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 * Residues marked with a * may have inaccurate shift predictions.