NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4366 8.2644 122.4774 50.9528 21.1161 176.0724 2 W 4.5986 8.6417 126.8482 54.3223 33.5746 172.5134 3 K 4.5290 7.5112 127.5850 54.8245 34.8867 174.9312 4 G 3.6031 7.1399 114.3091 46.4859 0.0000 171.7100 5 E 5.3829 9.0706 121.8477 54.5784 34.0219 175.8867 6 V 4.4042 8.7800 122.8439 61.0738 33.7828 174.7272 7 L 4.5701 8.4801 128.5697 54.3117 42.2752 178.4594 8 A 3.0194 8.2902 126.9251 54.8442 18.2966 178.2486 9 N 4.9468 7.9346 110.0129 53.4355 37.8349 175.3781 10 N 4.5939 7.8349 119.6656 51.8097 37.6393 174.4340 11 E 2.5400 8.3266 124.3712 58.2458 29.7972 177.9339 12 A 3.9367 7.4836 118.3068 52.6651 18.8046 177.8590 13 G 3.8059 7.7393 101.5739 44.8674 0.0000 172.4276 14 Q 4.4468 8.9715 120.0465 54.1627 30.4952 174.6492 15 V 4.0606 8.3106 128.0166 62.6820 32.1788 175.8210 16 T 3.8290 7.9481 119.2045 60.0365 70.4796 174.9113 17 S 4.3801 8.4164 114.2445 58.9855 63.8056 173.9449 18 I 4.1201 7.4749 123.8481 60.9941 37.8998 175.0001 19 I 4.6502 8.2555 129.1138 59.9927 38.2184 175.1275 20 Y 4.1392 9.3204 130.4612 57.4680 39.7225 174.0900 21 N 5.2931 8.0725 123.2310 50.3112 42.3783 172.5018 22 P 4.3370 0.0000 0.0000 64.6258 31.8053 177.0786 23 G 3.9528 8.8998 110.5804 45.3115 0.0000 173.5774 24 D 4.1564 7.4494 119.8775 54.8043 41.3537 175.8050 25 V 4.7362 8.2957 123.3553 61.2402 33.5977 174.3797 26 I 5.2720 8.9732 120.5038 59.5144 41.7611 174.2647 27 T 5.1570 8.7612 118.8476 61.9499 72.2435 173.0617 28 I 5.1163 8.8565 126.7457 59.4306 40.9189 174.7355 29 V 4.7926 8.8886 125.4848 61.1426 34.1321 173.8363 30 A 5.4599 9.1003 130.0245 50.2443 21.1591 175.2295 31 A 4.4420 9.6049 122.5124 50.6371 23.5879 174.6019 32 G 3.6798 8.3854 103.7177 43.9500 0.0000 172.3284 33 W 5.5524 8.5776 117.3539 54.9711 32.0359 175.1823 34 A 4.9064 9.6700 125.4202 50.5595 23.0722 174.3029 35 S 5.2974 9.0904 112.9709 57.0108 66.1955 173.8393 36 Y 5.2069 8.3344 122.0932 54.9879 38.0125 177.5609 37 G 4.6947 6.8936 118.5912 46.8952 0.0000 172.0683 38 P 4.3966 0.0000 0.0000 62.0804 31.9274 176.8162 39 T 4.0279 8.1785 115.1473 65.7999 68.7331 175.6516 40 Q 3.8825 7.6466 121.6610 55.4312 29.7408 174.6655 41 K 4.8741 7.6266 121.7327 54.4133 35.2126 175.2357 42 W 5.1331 9.9637 122.3441 55.2510 33.6312 175.5959 43 G 4.2715 8.6887 108.3247 44.5017 0.0000 172.5125 44 P 3.4371 0.0000 0.0000 64.6818 31.2630 178.1664 45 Q 4.2563 7.9261 115.3844 55.9382 29.5170 177.5520 46 G 3.8028 8.3750 106.8697 45.0483 0.0000 172.6940 47 D 4.3973 8.0582 122.0075 52.1783 40.8502 178.2374 48 R 2.0000 8.0646 123.1596 56.8590 29.7090 177.1546 49 E 4.2320 7.8659 117.5523 57.2186 30.5576 175.6491 50 H 4.4505 7.4205 119.4398 54.2420 30.5205 173.2043 51 P 4.4423 0.0000 0.0000 62.0190 32.2663 174.8747 52 D 4.5586 8.3395 118.7255 53.8087 41.4439 175.9623 53 Q 4.5142 8.8237 125.9006 55.8363 30.1358 176.1302 54 G 4.1181 8.4109 103.8334 46.1043 0.0000 174.5145 55 L 4.4002 8.6489 118.1625 54.0791 42.5920 178.5643 56 I 3.6618 8.0766 115.7646 63.0749 37.3699 175.5464 57 C 4.6489 8.0827 120.4296 56.3924 32.6682 173.9989 58 H 4.5885 8.5890 124.8589 58.1434 28.5533 176.1482 59 D 4.5499 7.9166 117.0747 54.2230 41.0981 175.5470 60 A 4.4250 7.1788 120.0464 49.7999 22.4923 175.9414 61 F 4.5628 7.9082 118.0025 56.9967 39.8938 174.6189 62 C 4.1724 8.2998 122.6671 60.6854 31.4921 174.0802 63 G 3.4727 8.7816 115.7446 44.0879 0.0000 172.9332 64 A 4.5965 7.4091 121.2826 50.8635 20.4357 177.1291 65 L 4.5827 8.6837 123.1026 55.4184 43.5222 176.5261 66 V 5.1286 8.8031 118.3731 60.2760 36.8069 173.5837 67 M 5.2086 8.7201 117.3766 54.4873 35.0580 173.8871 68 K 4.9077 9.1414 118.0704 54.5864 36.8176 175.5885 69 I 4.7360 8.3136 122.8307 59.1307 39.9541 176.3938 70 G 3.8705 9.1441 117.7850 46.0937 0.0000 173.2151 71 N 4.7476 8.9651 120.6002 52.3031 37.1731 174.8645 72 S 4.4999 7.5177 113.9680 57.2107 64.4362 173.7053 73 G 3.8200 8.2288 110.2106 45.1413 0.0000 173.3089 74 T 4.2678 8.2258 109.7878 61.7513 70.2001 173.2390 75 I 4.6057 8.6621 125.1263 58.6049 40.5041 173.3386 76 P 4.4207 0.0000 0.0000 63.0539 31.3465 175.9980 77 V 3.9521 8.6093 122.3421 63.1436 34.3354 176.0996 78 N 4.2279 7.7769 116.2816 54.5452 37.3924 177.0287 79 T 3.8189 8.4427 114.7466 63.4307 69.0963 174.7833 80 G 3.9744 5.8349 108.1635 44.8270 0.0000 171.0559 81 L 4.6548 7.9184 118.7280 52.7211 44.7120 175.7619 82 F 4.7582 8.9671 125.2232 57.0496 40.2245 175.5686 83 R 3.8468 7.6414 130.6020 56.7853 27.9854 176.6839 84 W 4.6890 8.6671 128.2284 55.9575 32.3570 174.9195 85 V 4.7560 7.4260 124.1839 59.2910 34.0249 175.6873 86 A 3.0991 7.6215 124.9201 51.7940 17.4734 178.0961 *89 N 4.6255 8.7915 115.9973 55.1718 39.7836 173.9126 90 V 3.8977 7.7281 118.6082 62.4710 32.4638 175.1943 91 Q 4.8052 8.5965 126.7138 54.9546 32.3621 173.8835 92 G 3.8639 8.7527 110.7803 43.7205 0.0000 172.0269 93 A 4.5212 8.4216 121.9040 52.1448 19.8723 177.2106 94 I 4.5237 8.5522 123.4905 60.7760 38.7046 174.9493 95 T 4.9168 8.4885 124.6096 61.7759 70.7213 173.7952 96 L 4.9465 8.4938 126.7103 53.7878 43.8090 175.8742 97 I 5.0209 8.7863 122.9441 59.5415 42.1325 173.9677 98 Y 4.6197 8.8367 127.0687 57.8203 40.3005 174.3032 99 N 4.7660 8.6430 126.0591 53.1522 39.4001 172.8055 100 D 4.5718 8.0656 125.2531 52.3969 45.9250 173.2621 101 V 4.5253 7.7883 117.3996 60.0272 32.4796 173.6166 102 P 4.6684 0.0000 0.0000 64.6927 31.6274 175.8887 103 G 4.1945 9.3732 110.9090 45.4621 0.0000 173.9867 104 T 4.6336 7.6618 108.3089 61.7495 69.1769 175.2809 105 Y 4.2324 8.3002 121.5831 60.4331 38.5219 177.7920 106 G 3.8161 8.4174 108.6303 48.1540 0.0000 173.7083 107 N 4.7891 8.0080 114.0450 52.3970 37.9650 174.6781 108 N 4.8194 8.2237 117.6547 53.6859 39.5141 174.0183 109 S 4.6012 8.6314 113.1370 58.3105 66.3366 175.6136 110 G 3.8599 9.8023 110.3571 45.5271 0.0000 172.0172 111 S 4.6924 7.8728 110.7026 57.5641 65.6379 173.9742 112 F 5.3754 8.5015 119.5666 56.1981 41.3580 175.4439 113 S 4.9251 9.3471 119.5070 58.2394 64.4772 173.5325 114 V 5.0079 8.9393 123.4587 61.3959 35.1025 173.4498 115 N 5.5760 9.1669 124.9152 51.6100 41.3451 173.6730 116 I 5.1429 9.3297 124.2206 59.6125 41.0146 174.8788 117 G 4.5817 8.9957 112.4068 44.5493 0.0000 171.2319 118 K 5.0949 8.6266 119.3765 55.2642 33.7607 176.0179 119 D 4.9796 8.8799 123.7020 52.0928 43.9491 176.0785 120 Q 4.1283 8.4570 118.8429 56.4466 29.2200 177.0672 121 S 4.1400 8.3120 115.6739 58.7705 62.8419 173.8062 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 1 A 8.26 4.44 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 2 W 8.64 4.60 0.00 3.39 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 3 K 7.51 4.53 0.00 1.57 1.31 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.08 1.49 7.81 4 G 7.14 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.07 5.38 0.00 1.82 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 2.21 2.34 0.00 6 V 8.78 4.40 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 1.11 0.00 0.00 1.14 0.00 0.00 7 L 8.48 4.57 0.00 1.63 1.61 0.92 0.96 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 8 A 8.29 3.02 0.55 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 0.00 0.00 9 N 7.93 4.95 0.00 2.97 3.13 0.00 0.00 5.90 8.04 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 10 N 7.83 4.59 0.00 2.82 2.88 0.00 0.00 6.78 8.42 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 11 E 8.33 2.54 0.00 1.47 1.70 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 1.51 2.02 0.00 12 A 7.48 3.94 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 13 G 7.74 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 14 Q 8.97 4.45 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 15 V 8.31 4.06 2.04 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 0.79 0.00 0.00 0.89 0.00 0.00 16 T 7.95 3.83 2.69 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 -0.04 0.00 0.00 17 S 8.42 4.38 0.00 4.11 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 18 I 7.47 4.12 1.86 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 1.07 0.99 0.00 0.00 19 I 8.26 4.65 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 1.24 0.79 0.97 0.00 0.00 20 Y 9.32 4.14 0.00 3.17 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 21 N 8.07 5.29 0.00 2.50 2.56 0.00 0.00 6.56 7.39 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 22 P 0.00 4.34 0.00 2.01 2.02 0.00 3.67 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 2.04 2.15 0.00 23 G 8.90 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.45 4.16 0.00 1.58 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 0.00 0.00 0.00 25 V 8.30 4.74 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 1.04 0.00 0.00 0.95 0.00 0.00 26 I 8.97 5.27 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.44 1.18 0.00 0.00 27 T 8.76 5.16 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 1.27 0.00 0.00 28 I 8.86 5.12 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.95 0.00 0.00 29 V 8.89 4.79 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 0.97 0.00 0.00 0.98 0.00 0.00 30 A 9.10 5.46 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.60 4.44 1.14 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 32 G 8.39 3.68 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 0.00 0.00 0.00 33 W 8.58 5.55 0.00 3.20 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 34 A 9.67 4.91 0.57 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 35 S 9.09 5.30 0.00 3.94 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 36 Y 8.33 5.21 0.00 3.28 3.17 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 37 G 6.89 4.69 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 0.00 0.00 0.00 38 P 0.00 4.40 0.00 2.28 2.14 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 39 T 8.18 4.03 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 1.14 0.00 0.00 40 Q 7.65 3.88 0.00 1.71 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 41 K 7.63 4.87 0.00 1.56 1.96 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.29 7.81 42 W 9.96 5.13 0.00 3.59 3.34 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 0.00 0.00 0.00 0.00 43 G 8.69 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 0.00 0.00 0.00 0.00 44 P 0.00 3.44 0.00 1.83 1.51 0.00 3.26 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 1.89 1.50 0.00 45 Q 7.93 4.26 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 46 G 8.38 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 47 D 8.06 4.40 0.00 1.58 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 0.00 0.00 0.00 48 R 8.06 2.00 0.00 1.14 1.35 0.00 3.04 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 49 E 7.87 4.23 0.00 2.15 2.04 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 2.24 2.19 0.00 50 H 7.42 4.45 0.00 3.00 2.86 0.00 5.94 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 51 P 0.00 4.44 0.00 2.13 1.97 0.00 3.23 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 52 D 8.34 4.56 0.00 2.64 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 53 Q 8.82 4.51 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 54 G 8.41 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 55 L 8.65 4.40 0.00 1.56 1.73 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.08 3.66 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 1.05 0.00 0.00 57 C 8.08 4.65 0.00 2.88 2.72 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 58 H 8.59 4.59 0.00 3.16 3.28 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.92 4.55 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 4.43 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.91 4.56 0.00 3.20 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 62 C 8.30 4.17 0.00 2.64 2.21 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 63 G 8.78 3.47 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 0.00 64 A 7.41 4.60 1.32 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 0.00 0.00 0.00 65 L 8.68 4.58 0.00 1.69 1.58 1.20 1.03 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 66 V 8.80 5.13 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 0.65 0.00 0.00 0.97 0.00 0.00 67 M 8.72 5.21 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 68 K 9.14 4.91 0.00 1.60 1.65 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.34 7.81 69 I 8.31 4.74 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.49 1.04 0.00 0.00 70 G 9.14 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 0.00 0.00 0.00 71 N 8.97 4.75 0.00 2.81 2.90 0.00 0.00 5.88 7.64 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 72 S 7.52 4.50 0.00 3.95 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 73 G 8.23 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 74 T 8.23 4.27 4.19 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 1.18 0.00 0.00 75 I 8.66 4.61 1.72 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 1.26 0.92 0.81 0.00 0.00 76 P 0.00 4.42 0.00 1.83 1.87 0.00 3.57 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 77 V 8.61 3.95 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 0.86 0.00 0.00 0.80 0.00 0.00 78 N 7.78 4.23 0.00 2.80 2.26 0.00 0.00 6.91 7.54 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 79 T 8.44 3.82 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 1.12 0.00 0.00 80 G 5.83 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 81 L 7.92 4.65 0.00 1.58 1.47 0.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.97 4.76 0.00 3.01 3.01 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 0.00 0.00 0.00 83 R 7.64 3.85 0.00 1.65 1.82 0.00 2.59 0.00 0.00 2.95 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 0.00 84 W 8.67 4.69 0.00 3.36 3.10 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 0.00 0.00 0.00 0.00 85 V 7.43 4.76 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 0.63 0.00 0.00 0.87 0.00 0.00 86 A 7.62 3.10 0.52 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 0.00 0.00 *89 N 8.79 4.63 0.00 2.75 2.90 0.00 0.00 6.72 7.68 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 90 V 7.73 3.90 2.03 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 0.74 0.00 0.00 0.93 0.00 0.00 91 Q 8.60 4.81 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 92 G 8.75 3.86 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 0.00 0.00 0.00 93 A 8.42 4.52 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 94 I 8.55 4.52 1.76 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 1.25 1.12 0.82 0.00 0.00 95 T 8.49 4.92 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 1.15 0.00 0.00 96 L 8.49 4.95 0.00 1.54 1.58 0.80 0.57 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 97 I 8.79 5.02 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.98 0.00 0.00 98 Y 8.84 4.62 0.00 3.15 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 99 N 8.64 4.77 0.00 2.88 2.66 0.00 0.00 6.28 8.06 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 0.00 100 D 8.07 4.57 0.00 2.37 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 0.00 0.00 0.00 101 V 7.79 4.53 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 1.13 0.00 0.00 0.94 0.00 0.00 102 P 0.00 4.67 0.00 2.14 2.06 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 103 G 9.37 4.19 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 0.00 104 T 7.66 4.63 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 1.33 0.00 0.00 105 Y 8.30 4.23 0.00 3.10 3.25 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 0.00 106 G 8.42 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 0.00 107 N 8.01 4.79 0.00 2.84 2.94 0.00 0.00 6.06 8.04 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 0.00 108 N 8.22 4.82 0.00 2.89 2.78 0.00 0.00 6.53 6.63 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 0.00 109 S 8.63 4.60 0.00 3.93 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 0.00 110 G 9.80 3.86 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 0.00 0.00 0.00 111 S 7.87 4.69 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.50 5.38 0.00 3.07 2.95 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 0.00 0.00 0.00 113 S 9.35 4.93 0.00 3.78 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 0.00 114 V 8.94 5.01 2.52 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 1.15 0.00 0.00 1.12 0.00 0.00 115 N 9.17 5.58 0.00 2.71 2.73 0.00 0.00 6.42 6.72 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 0.00 116 I 9.33 5.14 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.16 1.02 0.00 0.00 117 G 9.00 4.58 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 0.00 0.00 0.00 118 K 8.63 5.09 0.00 1.65 1.72 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.48 7.81 119 D 8.88 4.98 0.00 2.44 2.53 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 0.00 120 Q 8.46 4.13 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 121 S 8.31 4.14 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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.