NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2871 8.1233 123.5807 52.2270 20.2037 179.4639 3 L 3.4414 6.9124 115.4561 57.1380 41.2551 174.9938 4 M 4.2706 8.0946 117.3317 55.3848 34.0668 176.8251 5 G 3.9759 8.8580 110.7606 46.1350 0.0000 173.5294 6 G 4.1282 7.1918 107.2587 44.3522 0.0000 173.2579 7 I 4.6073 8.0492 120.9566 60.0911 38.2380 176.1060 8 V 4.5431 8.6603 120.0117 59.2323 35.7087 175.0989 9 D 4.5512 8.6486 123.4680 54.3476 42.2220 176.4852 *16 S 4.2260 8.1260 118.6153 59.3935 64.2142 171.4746 17 A 3.6901 8.4795 124.4161 54.6557 17.0916 180.0087 18 E 3.9810 8.4025 114.6986 58.3081 30.6189 179.6170 19 V 3.5832 7.7287 118.5372 65.2321 31.6471 177.5614 20 E 3.9814 7.9706 119.3060 59.0429 29.6286 178.2609 21 E 3.8895 8.0172 117.4071 59.4085 29.6013 179.0674 22 L 3.9663 8.1033 119.7687 57.4570 41.4922 179.3450 23 A 4.1201 7.8869 120.3789 55.2366 18.2348 179.9851 24 R 3.5419 7.6092 116.5230 59.1316 30.1197 178.8766 25 F 4.0099 8.9375 120.6813 61.0914 39.2484 177.0817 26 A 3.8210 8.2870 120.4567 55.1381 18.2439 179.6576 27 V 3.3485 7.5512 116.7021 66.2487 31.5163 177.9569 28 D 4.1681 8.1727 118.7888 57.3350 40.6788 178.3507 29 E 3.5796 7.9697 120.1233 59.3122 29.5481 178.4119 30 H 3.8105 7.8406 118.2565 59.1252 29.7458 177.0105 31 N 4.1371 7.9896 118.4001 56.0387 38.4733 177.5140 32 K 3.8540 8.1274 120.3763 59.4174 32.0276 179.6131 33 K 4.1469 7.7918 117.1423 58.7743 32.6439 177.3919 34 E 4.4129 7.4910 116.8662 55.0839 30.2288 175.3134 35 N 4.0165 7.4393 113.8002 54.4707 36.5433 173.4893 36 A 4.7338 7.7027 118.9247 50.6798 21.8353 176.8292 37 L 4.8306 7.8542 116.9802 54.1652 42.5980 177.7440 38 L 4.0906 8.4116 118.4533 54.8723 42.4465 176.8615 39 Q 4.6188 8.4680 123.1264 53.8419 31.5200 174.4626 40 F 4.3945 9.1442 129.3148 59.3191 39.4813 173.6610 41 S 4.4705 7.9555 120.5346 58.3449 63.9729 174.2415 42 R 3.8448 6.0354 113.9785 55.3840 30.7145 172.9089 43 L 4.6805 8.6290 121.7604 54.4579 42.1104 176.6955 44 V 3.8253 8.5934 127.3372 65.5241 31.7828 175.8153 45 K 4.8420 7.8836 119.2776 55.1208 36.1531 173.9009 46 A 5.2497 8.3767 124.1843 50.5485 22.1967 175.5844 47 K 4.9267 9.0320 120.1898 54.7350 37.1116 175.2666 48 Q 5.1118 9.0732 118.7848 54.9466 32.6375 173.6156 49 Q 4.9207 8.8818 120.4919 53.7263 32.7810 173.6947 50 V 4.3533 8.4321 125.9393 62.1019 32.5054 173.6555 51 V 4.7577 8.7677 124.7261 61.2933 32.4596 178.7594 52 S 4.6036 8.6958 115.9426 57.2640 61.4653 173.5886 53 G 4.4768 8.6521 112.8970 43.6006 0.0000 169.7077 54 I 5.0635 9.0469 121.6079 59.6691 41.0778 174.5503 55 M 5.0854 9.4873 126.2976 54.2463 34.5193 173.9737 56 H 5.0683 9.3282 124.5041 55.1947 31.1622 174.3154 57 H 5.1820 9.2649 121.3897 54.2919 29.5184 172.5885 58 L 5.0843 8.9486 123.4559 53.2814 44.2922 175.6326 59 T 5.0396 8.7505 120.7636 62.1463 70.1654 173.9622 60 V 4.8745 9.0069 127.1205 59.7474 34.6429 174.1889 61 E 4.9117 9.0978 125.1012 55.2131 31.3603 175.1792 62 V 4.9625 9.0130 119.1121 59.7563 37.1641 174.0816 63 I 5.0539 9.2595 123.0223 59.6234 39.9668 175.1096 64 E 4.6765 9.3702 125.3806 55.1105 32.7609 176.2066 65 G 3.5680 9.5697 111.8206 46.4034 0.0000 174.5798 66 G 3.9662 8.4974 106.5617 44.8346 0.0000 173.9910 67 K 4.6973 7.6409 119.3213 54.3632 35.1578 175.4343 68 K 4.8799 8.5642 123.2187 55.8346 33.0819 176.4083 69 K 4.8590 9.2662 124.0136 54.4885 36.8529 175.3110 70 V 4.9020 8.1938 121.8938 60.4905 33.8872 174.2864 71 Y 4.8767 9.4811 121.1592 55.9947 42.4289 173.7903 72 E 5.0965 9.4228 122.8961 54.4817 32.0656 174.6724 73 A 5.3577 9.3519 128.1231 50.0360 23.2759 174.7815 74 K 4.9650 9.1799 118.8907 54.7513 35.4781 175.5422 75 V 4.9535 8.8550 126.3122 60.9425 33.8428 174.2559 76 W 5.2791 9.8104 135.0000 56.4875 31.9907 174.9170 77 V 4.5203 9.3881 128.7613 61.4480 33.3298 174.4313 78 Q 4.0153 8.3035 128.0255 53.0082 28.5876 175.8534 79 A 3.8767 8.5033 127.2368 54.9285 18.7337 179.5633 80 W 4.4676 8.3252 109.0171 57.0960 27.8647 176.6991 81 L 4.4039 7.3581 114.7085 54.0129 43.9803 175.5290 82 N 3.9652 7.6610 116.3352 54.8875 37.9587 173.8564 83 S 4.6824 7.3801 110.9169 56.0337 65.7995 172.9397 84 K 4.7313 8.3242 125.2764 55.1699 34.8651 175.5445 85 K 4.9086 9.1425 124.5280 54.1455 35.9785 175.2528 86 L 4.5932 8.8101 125.9627 55.3410 41.8599 175.6374 87 H 4.7565 9.9938 128.7281 58.5659 30.8147 174.8183 88 E 4.8714 8.0957 116.3050 55.3902 33.1498 174.1769 89 F 5.1233 8.6386 126.8419 57.6468 42.1425 173.0692 90 S 4.8758 8.5191 119.9037 56.5979 66.5418 172.4672 91 P 3.9710 0.0000 0.0000 62.1192 32.1289 176.4680 92 I 3.7929 7.5930 120.8604 61.7935 36.9285 176.1111 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 8.12 4.29 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 3 L 6.91 3.44 0.00 1.72 1.64 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.09 4.27 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 5 G 8.86 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 6 G 7.19 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 7 I 8.05 4.61 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 0.73 0.00 0.00 8 V 8.66 4.54 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 0.94 0.00 0.00 9 D 8.65 4.55 0.00 2.64 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 *16 S 8.13 4.23 0.00 3.95 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 17 A 8.48 3.69 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 18 E 8.40 3.98 0.00 2.17 2.20 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 2.36 2.35 0.00 19 V 7.73 3.58 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 1.07 0.00 0.00 0.96 0.00 0.00 20 E 7.97 3.98 0.00 2.14 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 2.39 2.36 0.00 21 E 8.02 3.89 0.00 2.23 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 2.45 2.28 0.00 22 L 8.10 3.97 0.00 1.68 1.75 0.63 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.89 4.12 1.53 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 0.00 0.00 24 R 7.61 3.54 0.00 1.84 1.78 0.00 2.93 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.53 0.00 25 F 8.94 4.01 0.00 3.08 3.29 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 26 A 8.29 3.82 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 0.00 0.00 0.00 0.00 0.00 27 V 7.55 3.35 2.25 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 1.12 0.00 0.00 1.29 0.00 0.00 28 D 8.17 4.17 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 3.58 0.00 1.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 30 H 7.84 3.81 0.00 2.13 2.59 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.99 4.14 0.00 2.77 2.85 0.00 0.00 7.07 7.85 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 32 K 8.13 3.85 0.00 1.80 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.54 7.81 33 K 7.79 4.15 0.00 1.86 1.87 0.00 1.55 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.38 7.81 34 E 7.49 4.41 0.00 1.84 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 2.17 2.07 0.00 35 N 7.44 4.02 0.00 2.90 2.83 0.00 0.00 6.71 7.23 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 36 A 7.70 4.73 1.15 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 37 L 7.85 4.83 0.00 1.59 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.41 4.09 0.00 1.68 1.56 0.70 0.86 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 39 Q 8.47 4.62 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 40 F 9.14 4.39 0.00 3.08 2.99 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 41 S 7.96 4.47 0.00 3.72 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 42 R 6.04 3.84 0.00 1.93 1.81 0.00 2.97 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.00 43 L 8.63 4.68 0.00 1.86 1.78 1.12 1.02 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 44 V 8.59 3.83 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 0.76 0.00 0.00 0.92 0.00 0.00 45 K 7.88 4.84 0.00 1.84 1.58 0.00 1.96 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.47 7.81 46 A 8.38 5.25 1.24 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 47 K 9.03 4.93 0.00 1.75 1.66 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.38 7.81 48 Q 9.07 5.11 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 49 Q 8.88 4.92 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 50 V 8.43 4.35 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 1.02 0.00 0.00 0.96 0.00 0.00 51 V 8.77 4.76 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 0.64 0.00 0.00 0.97 0.00 0.00 52 S 8.70 4.60 0.00 4.08 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 53 G 8.65 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.05 5.06 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.79 0.00 0.00 55 M 9.49 5.09 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 56 H 9.33 5.07 0.00 3.17 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 9.26 5.18 0.00 3.09 3.38 0.00 5.59 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 58 L 8.95 5.08 0.00 1.69 1.66 1.03 0.85 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 59 T 8.75 5.04 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 1.25 0.00 0.00 60 V 9.01 4.87 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 0.93 0.00 0.00 1.18 0.00 0.00 61 E 9.10 4.91 0.00 1.97 1.80 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 2.18 2.25 0.00 62 V 9.01 4.96 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 0.75 0.00 0.00 1.00 0.00 0.00 63 I 9.26 5.05 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.92 0.00 0.00 64 E 9.37 4.68 0.00 1.97 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 0.00 2.29 2.32 0.00 65 G 9.57 3.57 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 0.00 0.00 0.00 66 G 8.50 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 67 K 7.64 4.70 0.00 1.86 1.70 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.39 7.81 68 K 8.56 4.88 0.00 1.61 1.73 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.52 7.81 69 K 9.27 4.86 0.00 1.83 1.67 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.56 7.81 70 V 8.19 4.90 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 0.67 0.00 0.00 0.95 0.00 0.00 71 Y 9.48 4.88 0.00 2.51 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 0.00 0.00 0.00 0.00 72 E 9.42 5.10 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 2.18 2.26 0.00 73 A 9.35 5.36 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 74 K 9.18 4.96 0.00 1.75 1.71 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.37 7.81 75 V 8.86 4.95 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 1.16 0.00 0.00 1.17 0.00 0.00 76 W 9.81 5.28 0.00 3.36 3.08 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 77 V 9.39 4.52 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 0.92 0.00 0.00 0.90 0.00 0.00 78 Q 8.30 4.02 0.00 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.01 1.35 0.00 79 A 8.50 3.88 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 80 W 8.33 4.47 0.00 3.38 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 81 L 7.36 4.40 0.00 1.20 1.33 0.31 0.99 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 82 N 7.66 3.97 0.00 2.69 2.70 0.00 0.00 6.79 7.34 0.00 0.00 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 S 7.38 4.68 0.00 3.60 3.20 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 84 K 8.32 4.73 0.00 1.08 1.34 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.60 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.89 0.62 7.81 85 K 9.14 4.91 0.00 1.83 1.85 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.08 7.81 86 L 8.81 4.59 0.00 1.64 1.64 1.22 0.91 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 87 H 9.99 4.76 0.00 3.24 3.50 0.00 6.04 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.10 4.87 0.00 2.09 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 2.34 2.32 0.00 89 F 8.64 5.12 0.00 3.08 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 90 S 8.52 4.88 0.00 3.89 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 91 P 0.00 3.97 0.00 1.74 1.34 0.00 3.70 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 1.82 1.83 0.00 92 I 7.59 3.79 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.75 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.