NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7690 8.3249 119.4946 56.5015 41.0555 174.8818 3 C 4.1089 8.2244 117.3799 60.0287 25.4841 171.4472 4 E 3.8846 8.2375 121.2335 58.8161 30.7466 177.2256 5 K 4.0406 8.1285 119.7928 59.1692 32.6933 179.3517 6 A 3.8546 7.4386 122.1897 51.7980 17.5269 178.8272 *8 E 4.2732 8.2514 119.5006 57.6648 31.5334 177.8337 9 L 3.6137 7.3915 120.3962 58.0803 42.0803 178.7219 10 I 3.7918 7.6015 119.6787 64.5193 37.0948 178.3512 11 R 3.9068 7.9543 118.8866 59.5333 29.7070 177.9415 12 E 4.0844 8.1089 117.9807 59.0398 29.6993 178.3269 13 L 4.1541 7.6865 120.0673 58.1736 41.9875 178.3343 14 H 4.1210 8.0917 117.1241 59.4632 29.9944 177.3695 15 R 4.2724 8.3566 118.1905 57.5190 29.9372 176.6796 16 A 4.1385 7.3468 121.8649 50.4967 18.0101 175.2986 17 P 3.9057 0.0000 0.0000 65.7424 31.3397 177.1295 18 E 3.4395 8.1360 119.7801 59.8748 25.9327 175.1581 19 G 4.3860 9.4445 115.8181 46.3854 0.0000 172.4058 20 Q 3.6508 6.9395 116.9014 54.5691 29.1547 177.4175 21 L 4.4675 8.1794 124.1359 52.2082 42.4926 173.9793 22 P 4.4801 0.0000 0.0000 61.8006 32.2155 175.8316 23 A 4.2982 7.9927 120.2183 51.5426 19.0238 177.2711 24 F 4.2228 8.5529 124.6772 58.4426 40.2694 174.4895 25 N 4.6969 8.2266 124.7317 51.6086 37.7820 175.9018 26 E 4.1556 8.9079 125.2816 59.2967 29.6048 179.0614 27 D 4.4408 8.0703 118.9179 57.0549 41.0058 178.6363 28 G 3.4842 7.8903 105.7730 47.7557 0.0000 175.2978 29 L 3.8398 7.4941 122.7826 57.4904 42.1188 178.7933 30 R 3.8734 8.2972 119.0588 59.6714 30.0156 178.2699 31 Q 3.9679 8.3541 118.0496 59.1717 28.5334 179.2879 32 V 3.6041 7.4778 117.6575 66.1068 31.5932 177.7938 33 L 4.1585 7.9294 117.7946 57.5455 41.6435 179.0305 34 E 4.1963 8.6101 119.1276 59.2765 29.4069 180.4837 35 E 4.2816 8.4176 117.5571 56.3414 29.4860 179.1396 *37 K 4.1668 8.0627 120.5807 56.6108 34.1744 177.2103 38 A 4.0316 8.2167 120.4618 55.5438 18.2383 179.5502 39 L 3.9680 8.4308 117.5072 58.0558 41.6720 179.2008 40 Y 4.1852 8.0751 118.9226 60.7487 38.7221 177.8449 41 E 3.7169 8.3036 119.3007 59.5862 29.6462 179.0513 42 Q 3.9600 8.1943 118.0282 59.5338 28.8891 179.4255 43 N 4.3751 8.2023 117.0271 56.0125 38.2467 177.1972 44 Q 3.6998 7.4066 120.5033 59.3286 29.4551 177.6118 45 S 4.0861 8.1673 113.9284 62.0385 62.5288 175.8637 46 D 4.3903 8.2487 121.1137 57.6723 40.7680 179.4578 47 V 3.7063 7.8093 118.5765 65.8712 31.3931 177.8264 48 N 4.4481 8.2031 116.4126 55.8681 38.1079 176.7285 49 E 4.1058 7.9096 117.4550 57.7882 29.3209 177.9437 50 A 5.1986 7.4436 120.8930 52.5320 19.3636 176.5077 51 K 4.3374 8.1043 113.9755 57.0636 34.8240 177.9055 52 S 3.8068 7.5125 116.1207 62.6760 63.5786 176.6524 53 G 3.8143 7.8539 111.4944 46.1957 0.0000 172.8690 54 G 3.8766 8.3392 105.5265 45.2317 0.0000 174.8388 55 R 4.1890 7.5916 120.4020 55.6962 28.6068 176.4734 56 S 4.5116 8.3503 115.5824 57.9879 62.6659 173.8742 57 D 4.7527 7.9227 117.1194 54.1244 39.4488 177.3312 58 L 4.4240 7.5788 120.1214 55.7031 42.1470 178.1693 59 I 3.6859 7.7815 120.3180 64.1989 36.9773 175.7893 60 P 4.3615 0.0000 0.0000 66.3253 31.1866 178.8456 61 T 3.9302 7.8901 113.6578 66.3644 68.2749 176.9087 62 I 4.2269 7.9733 123.6471 64.0047 37.2498 178.4703 63 K 3.9693 9.0005 120.5363 59.4902 31.7282 179.1454 64 F 4.0743 8.7057 121.2165 61.5178 39.3496 177.5215 65 R 4.2111 8.2993 117.7285 59.3925 29.7453 178.5270 66 H 4.2610 8.5796 118.6012 59.2868 29.7425 177.1108 67 C 4.0357 8.0747 118.6077 62.8147 27.8476 176.1952 68 S 4.0523 7.7798 116.4224 61.5192 62.4464 176.5953 69 L 3.9878 8.0043 121.5340 58.1096 41.4634 179.7735 70 L 3.9819 8.0238 118.7299 57.4974 41.3326 179.7453 71 R 3.7963 8.0727 118.9872 59.6203 30.1306 178.1217 72 N 4.2436 8.3798 116.5970 56.3787 38.4171 177.4355 73 R 3.8330 8.0005 119.8706 59.4154 30.2956 178.3253 74 R 3.8582 8.0006 118.5083 59.7786 29.9220 178.2136 75 C 4.1454 8.3274 116.5007 63.1350 28.1884 175.9730 76 T 3.8732 8.0286 114.7012 65.1504 66.8218 176.3197 77 V 3.6255 8.1553 120.1583 66.0440 31.6058 177.9744 78 A 3.9688 8.2089 120.5605 55.0908 18.0584 179.0257 79 Y 4.0381 8.4491 118.6467 60.8095 38.9414 178.3153 80 L 3.8192 8.1443 119.8582 58.0662 41.9605 178.9775 81 Y 3.9552 8.7669 119.6935 60.2773 38.5434 177.4776 82 D 4.1778 8.0448 119.3925 57.0788 41.2972 178.3606 83 R 3.7031 7.4345 118.3687 58.9353 29.9457 178.9366 84 L 3.3274 7.3070 118.6086 57.5716 41.3637 179.3881 85 L 3.7007 6.9636 118.1852 57.9730 41.2903 180.0128 86 R 3.8979 7.6779 116.7915 59.0985 30.3014 178.8984 87 I 3.7754 7.9490 120.0298 64.3366 37.0035 178.1000 88 R 3.9522 8.5415 119.6939 59.7984 29.7310 178.0412 89 A 4.1888 7.8612 120.1515 55.3122 18.2118 179.2918 90 L 4.1708 8.0793 117.4114 58.2946 41.5204 179.4815 91 R 4.3749 7.9031 118.5301 58.8975 30.0109 178.0989 92 W 4.3852 8.4072 116.5249 59.9428 29.4254 177.4584 93 E 4.0265 8.6758 119.1060 60.9263 29.5423 179.5107 94 Y 4.4132 9.1067 125.0387 58.0582 40.0382 174.3746 95 G 4.1234 8.6431 114.4833 46.7398 0.0000 174.3654 96 S 4.5487 8.6413 116.2591 58.2460 62.9041 174.1986 97 I 4.4986 7.4117 118.8628 59.6258 39.4899 174.5848 98 L 4.0969 8.3757 128.0923 53.5012 42.4754 176.0236 99 P 4.2695 0.0000 0.0000 62.4185 33.1665 177.6792 100 N 3.8539 8.5669 118.3561 56.1678 38.0195 176.9993 101 A 3.7906 7.6735 121.7452 55.5650 18.2052 179.3989 102 L 3.6983 7.3318 115.7348 56.9101 41.8654 179.2461 103 R 3.8891 7.0422 118.2847 59.1042 30.0228 178.0236 104 F 4.7475 7.8227 117.2315 60.0860 40.1571 176.1078 105 H 4.5831 7.6824 117.2787 54.2717 27.1132 174.0146 *107 A 3.7305 7.5025 124.4146 51.2471 20.0392 178.0120 108 A 3.9829 8.4973 122.6017 55.3410 18.6151 179.6228 109 E 4.1407 7.9896 113.1256 59.2307 29.9312 178.3888 110 E 4.4055 7.5945 119.2730 56.7554 29.3258 178.4417 *112 E 4.2748 8.3624 121.2744 56.0762 31.6166 177.3998 113 W 4.1060 8.5061 128.2281 60.4125 30.6144 177.6795 114 F 4.3751 9.0450 121.0243 61.4464 38.8139 176.8548 115 N 4.1632 8.3021 115.5767 56.5188 38.3836 177.0259 116 N 4.1901 8.0323 117.7461 56.1559 38.4875 176.9834 117 Y 3.5718 7.4191 121.2996 60.2862 38.8131 178.0155 118 K 3.5216 8.1082 120.1072 59.7563 32.4640 179.2762 119 R 3.7245 7.9733 119.4941 59.2035 30.0567 179.1474 120 S 3.9871 7.9365 114.9615 61.3622 62.4753 176.7721 121 L 3.7180 7.3437 121.9563 57.9295 41.9073 178.3215 122 A 4.0140 7.5922 119.3038 55.6303 18.3625 179.0598 123 T 3.9912 7.6382 112.7120 67.1482 68.3623 176.2308 124 Y 3.9959 7.7057 116.9903 59.1632 38.5449 177.6991 *126 R 4.2788 7.9017 117.5808 55.3697 32.0339 176.0576 127 S 4.6937 7.3407 111.3720 58.1013 63.2894 174.4666 128 L 4.3332 7.6865 118.3137 54.7844 41.9288 177.5459 129 G 4.3389 8.2166 108.7135 49.4017 0.0000 175.0961 130 G 3.8197 7.5035 110.4751 46.4909 0.0000 172.0478 131 D 4.3624 7.1887 133.2593 54.6168 47.0143 176.2316 132 E 4.6186 7.5124 112.0782 58.6102 31.5065 179.5189 133 G 3.5972 8.0940 110.7271 45.3940 0.0000 177.7154 134 L 4.1190 8.2532 120.7329 53.9593 44.6689 172.5189 135 D 4.5736 8.7359 126.1235 53.3748 40.7223 175.1196 136 I 4.3761 8.3672 120.2531 61.2182 37.7285 176.3169 137 T 4.6629 8.1553 109.0867 62.2275 69.1981 174.7880 138 Q 4.3452 7.9676 120.3459 57.9259 30.0418 175.4925 139 D 4.3483 7.8376 116.2609 53.8120 41.8010 175.5108 *141 K 4.1281 8.3026 125.0080 55.1911 33.3153 173.7594 142 P 4.2358 0.0000 0.0000 62.4359 31.7267 174.7919 143 P 4.3885 0.0000 0.0000 62.6850 31.2785 175.0527 144 K 4.1614 9.2106 118.8427 55.4978 34.1172 176.5775 145 S 4.6516 8.0519 119.9706 56.9139 62.2912 174.5451 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 F 8.32 4.77 0.00 2.95 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 3 C 8.22 4.11 0.00 3.14 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 4 E 8.24 3.88 0.00 1.97 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 0.00 2.31 2.37 0.00 5 K 8.13 4.04 0.00 1.85 1.75 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.42 7.81 6 A 7.44 3.85 1.34 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 0.00 0.00 *8 E 8.25 4.27 0.00 2.14 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 2.34 2.22 0.00 9 L 7.39 3.61 0.00 1.61 1.37 0.48 0.50 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 10 I 7.60 3.79 1.86 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 1.55 0.83 0.92 0.00 0.00 11 R 7.95 3.91 0.00 1.86 1.92 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 12 E 8.11 4.08 0.00 2.06 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 2.37 2.33 0.00 13 L 7.69 4.15 0.00 2.05 1.74 0.92 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 14 H 8.09 4.12 0.00 3.18 3.49 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.36 4.27 0.00 1.79 2.00 0.00 3.23 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 16 A 7.35 4.14 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 17 P 0.00 3.91 0.00 2.22 2.23 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 18 E 8.14 3.44 0.00 2.01 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 0.00 2.28 2.39 0.00 19 G 9.44 4.39 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 0.00 20 Q 6.94 3.65 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 21 L 8.18 4.47 0.00 1.51 1.56 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.48 0.00 2.23 2.08 0.00 3.81 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 2.02 2.00 0.00 23 A 7.99 4.30 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 24 F 8.55 4.22 0.00 3.07 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 25 N 8.23 4.70 0.00 2.76 2.90 0.00 0.00 6.55 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 26 E 8.91 4.16 0.00 2.12 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 2.78 2.49 0.00 27 D 8.07 4.44 0.00 2.65 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 28 G 7.89 3.48 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 29 L 7.49 3.84 0.00 1.62 1.79 0.96 1.34 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 30 R 8.30 3.87 0.00 2.17 1.99 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 31 Q 8.35 3.97 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 32 V 7.48 3.60 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 0.84 0.00 0.00 0.90 0.00 0.00 33 L 7.93 4.16 0.00 1.83 1.72 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.61 4.20 0.00 2.09 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 0.00 2.46 2.50 0.00 35 E 8.42 4.28 0.00 2.15 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 0.00 2.34 2.56 0.00 *37 K 8.06 4.17 0.00 1.96 2.08 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.50 7.81 38 A 8.22 4.03 1.43 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 0.00 0.00 0.00 39 L 8.43 3.97 0.00 1.83 1.83 1.03 0.81 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 40 Y 8.08 4.19 0.00 3.07 3.22 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 41 E 8.30 3.72 0.00 2.27 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 2.39 2.67 0.00 42 Q 8.19 3.96 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 43 N 8.20 4.38 0.00 3.08 2.79 0.00 0.00 6.69 7.18 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 44 Q 7.41 3.70 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.88 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 45 S 8.17 4.09 0.00 3.88 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 46 D 8.25 4.39 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.71 2.26 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 1.01 0.00 0.00 0.92 0.00 0.00 48 N 8.20 4.45 0.00 2.97 2.83 0.00 0.00 6.94 7.73 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 49 E 7.91 4.11 0.00 2.22 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 2.31 2.49 0.00 50 A 7.44 5.20 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 51 K 8.10 4.34 0.00 1.69 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.53 7.81 52 S 7.51 3.81 0.00 3.95 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 53 G 7.85 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 54 G 8.34 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 0.00 0.00 0.00 55 R 7.59 4.19 0.00 2.02 2.10 0.00 3.10 0.00 0.00 3.08 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 56 S 8.35 4.51 0.00 3.81 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 57 D 7.92 4.75 0.00 2.82 2.74 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 0.00 0.00 0.00 0.00 58 L 7.58 4.42 0.00 1.74 1.73 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.78 3.69 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.12 0.92 0.00 0.00 60 P 0.00 4.36 0.00 2.17 2.16 0.00 3.55 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 2.13 2.22 0.00 61 T 7.89 3.93 4.39 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 1.17 0.00 0.00 62 I 7.97 4.23 2.07 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 1.54 2.00 0.96 0.00 0.00 63 K 9.00 3.97 0.00 1.92 1.92 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.70 7.81 64 F 8.71 4.07 0.00 3.30 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 65 R 8.30 4.21 0.00 2.34 2.07 0.00 3.33 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 66 H 8.58 4.26 0.00 3.27 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 C 8.07 4.04 0.00 3.03 2.78 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 68 S 7.78 4.05 0.00 4.08 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 69 L 8.00 3.99 0.00 1.86 1.73 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.02 3.98 0.00 1.73 1.65 0.86 0.93 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 71 R 8.07 3.80 0.00 2.03 1.87 0.00 3.21 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 72 N 8.38 4.24 0.00 2.90 2.86 0.00 0.00 6.76 7.98 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 73 R 8.00 3.83 0.00 1.88 2.03 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 74 R 8.00 3.86 0.00 1.97 2.04 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 75 C 8.33 4.15 0.00 2.97 2.94 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 76 T 8.03 3.87 4.29 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 1.30 0.00 0.00 77 V 8.16 3.63 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 0.95 0.00 0.00 0.99 0.00 0.00 78 A 8.21 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.04 0.00 3.06 3.19 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 80 L 8.14 3.82 0.00 1.96 1.72 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.77 3.96 0.00 3.05 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 82 D 8.04 4.18 0.00 2.97 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 0.00 0.00 0.00 0.00 83 R 7.43 3.70 0.00 1.75 1.85 0.00 2.21 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.27 0.00 84 L 7.31 3.33 0.00 1.14 0.51 0.29 -0.42 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 85 L 6.96 3.70 0.00 1.72 1.56 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.68 3.90 0.00 1.80 1.94 0.00 3.09 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 87 I 7.95 3.78 1.95 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 1.29 0.92 1.00 0.00 0.00 88 R 8.54 3.95 0.00 1.90 2.09 0.00 3.30 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.75 0.00 89 A 7.86 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.17 0.00 2.05 1.79 1.06 0.33 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 91 R 7.90 4.37 0.00 2.11 2.38 0.00 3.34 0.00 0.00 2.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.11 0.00 92 W 8.41 4.39 0.00 3.48 3.38 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 93 E 8.68 4.03 0.00 2.00 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 1.47 1.97 0.00 94 Y 9.11 4.41 0.00 3.01 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 95 G 8.64 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 96 S 8.64 4.55 0.00 3.76 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 97 I 7.41 4.50 1.89 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 1.42 0.94 0.94 0.00 0.00 98 L 8.38 4.10 0.00 1.46 1.29 0.82 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.27 0.00 1.86 1.84 0.00 3.02 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.10 0.00 100 N 8.57 3.85 0.00 2.35 1.88 0.00 0.00 6.94 7.24 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 0.00 101 A 7.67 3.79 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 0.00 102 L 7.33 3.70 0.00 1.28 1.52 0.39 0.51 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 0.00 103 R 7.04 3.89 0.00 1.67 1.64 0.00 3.14 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 104 F 7.82 4.75 0.00 3.13 2.92 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 0.00 105 H 7.68 4.58 0.00 3.27 3.47 0.00 5.66 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 *107 A 7.50 3.73 0.19 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 0.00 108 A 8.50 3.98 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 0.00 109 E 7.99 4.14 0.00 2.13 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 2.17 2.21 0.00 110 E 7.59 4.41 0.00 2.06 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 2.17 1.99 0.00 *112 E 8.36 4.27 0.00 2.21 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 0.00 2.32 2.34 0.00 113 W 8.51 4.11 0.00 3.58 3.43 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 0.00 114 F 9.04 4.38 0.00 3.31 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 0.00 115 N 8.30 4.16 0.00 2.94 2.83 0.00 0.00 7.10 6.92 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 0.00 116 N 8.03 4.19 0.00 2.60 2.71 0.00 0.00 6.71 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.42 3.57 0.00 2.03 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.52 0.00 1.64 1.40 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.31 7.81 119 R 7.97 3.72 0.00 1.86 1.90 0.00 3.06 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 120 S 7.94 3.99 0.00 3.75 3.74 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 0.00 0.00 0.00 0.00 121 L 7.34 3.72 0.00 1.11 1.48 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.59 4.01 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 0.00 123 T 7.64 3.99 4.35 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 1.20 0.00 0.00 124 Y 7.71 4.00 0.00 3.06 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 *126 R 7.90 4.28 0.00 2.00 1.96 0.00 3.16 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 127 S 7.34 4.69 0.00 3.90 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 0.00 128 L 7.69 4.33 0.00 1.49 1.60 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.22 4.34 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 0.00 0.00 0.00 130 G 7.50 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 0.00 131 D 7.19 4.36 0.00 2.56 1.79 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 0.00 132 E 7.51 4.62 0.00 1.95 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 2.21 2.33 0.00 133 G 8.09 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 0.00 134 L 8.25 4.12 0.00 1.51 1.45 0.92 1.13 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 0.00 135 D 8.74 4.57 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 0.00 136 I 8.37 4.38 2.07 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.05 1.01 0.00 0.00 137 T 8.16 4.66 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 0.64 0.00 0.00 138 Q 7.97 4.35 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 139 D 7.84 4.35 0.00 2.67 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 *141 K 8.30 4.13 0.00 1.82 1.78 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 142 P 0.00 4.24 0.00 2.04 2.03 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 143 P 0.00 4.39 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 144 K 9.21 4.16 0.00 1.88 1.84 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 145 S 8.05 4.65 0.00 4.09 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 * Residues marked with a * may have inaccurate shift predictions.