NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 K 4.1970 8.4145 121.7875 55.8666 33.3612 175.9976 54 R 4.8636 8.2579 124.3647 56.2617 30.3126 174.1821 55 K 4.8500 8.7052 117.6695 55.1516 37.4706 174.9187 56 V 4.5308 9.2817 122.0592 61.6751 33.3153 174.3630 57 I 5.0072 8.8297 129.9366 59.6947 39.5183 174.7702 58 L 5.0077 8.8305 127.3459 53.6422 43.5396 174.9013 59 Y 5.2486 8.8592 124.4224 55.7112 41.2557 174.4680 60 A 4.6974 8.5530 128.2017 50.0333 22.2134 174.6984 61 R 4.9766 8.5707 120.8960 54.7168 33.6668 174.4276 62 V 4.5533 8.3249 116.2961 59.7034 36.0620 177.1874 63 S 4.1306 8.8046 118.8176 61.2729 63.2964 174.4455 64 S 4.9622 8.2821 113.0401 55.8436 65.8051 174.6268 65 S 4.2055 8.5900 117.7969 61.3199 62.7536 176.2773 66 T 4.1052 7.5831 110.1221 63.3770 68.6590 174.5858 67 Q 5.3099 8.0076 121.7170 54.6566 29.9204 178.0601 68 K 3.9644 8.0052 120.3697 60.3642 32.5318 177.9153 69 D 4.3674 8.0404 119.6646 57.1958 40.9031 178.3615 70 D 4.3860 8.0324 118.9026 57.0970 40.8163 178.4423 71 L 3.9486 7.9671 121.0388 58.2522 42.2441 179.4843 72 V 3.6461 7.7058 112.0301 64.2734 31.2900 178.0946 73 N 4.3194 8.2780 116.9268 56.7123 38.9399 176.7197 74 Q 4.0069 8.2617 121.0570 59.1917 29.1838 178.4361 75 V 3.6371 7.9860 121.8115 66.5161 31.5010 178.8038 76 K 4.0067 7.9909 123.0878 59.8065 31.4776 180.4173 77 Y 4.2341 7.8690 120.3996 60.6424 38.7047 178.1887 78 L 3.5858 7.7581 119.3969 57.7360 41.4813 179.4127 79 E 3.5466 7.6078 117.2820 59.0857 29.3997 178.7702 80 E 4.0245 8.0082 118.5936 59.2966 29.8141 178.5835 81 Q 4.1541 7.8820 117.2340 57.3486 28.8632 176.7358 82 V 4.0795 7.6922 124.1530 61.3811 31.6762 176.0096 83 K 4.1297 8.9539 132.3604 57.4556 31.8344 174.6709 84 E 4.8041 8.0761 115.5839 53.8477 31.5012 176.4009 85 Y 5.0197 7.9355 120.7573 55.0612 41.1473 174.0768 86 D 4.7018 9.1895 120.8694 55.8873 42.3008 176.9486 87 Q 4.8197 8.0522 115.1995 53.9933 33.5627 174.2566 88 V 4.9140 8.4659 120.0790 61.3259 34.3857 174.7074 89 I 4.9269 9.1100 128.2435 59.8093 40.8738 174.5597 90 T 5.3807 8.2875 113.9003 59.5311 72.3531 172.3999 91 D 4.8997 8.2501 120.1877 52.9845 46.0482 174.2318 92 I 4.7541 9.6302 121.1753 59.3309 39.2547 175.8724 93 G 4.6394 8.8216 116.9903 44.4574 0.0000 171.5911 94 S 4.2736 7.9269 114.1811 57.7786 62.6025 175.1815 95 G 3.6475 8.5986 113.9127 48.4938 0.0000 175.9448 96 L 3.9944 8.0196 119.5156 56.9822 41.7802 176.6548 97 N 4.5096 7.7470 117.3449 53.5194 38.1613 173.9797 98 M 4.4180 8.5838 124.7745 55.4942 32.2012 177.0724 99 K 4.4785 9.0325 118.2581 56.2166 33.0732 177.6802 100 R 4.1598 8.0217 122.2022 56.8264 31.5508 177.9950 101 K 4.1739 8.8153 128.4753 60.0010 31.9779 177.6107 102 G 4.0029 8.5524 107.0372 47.5873 0.0000 175.3470 103 F 3.9851 8.6528 122.8243 60.9577 39.4697 177.2688 104 L 3.7860 7.9581 118.2111 57.4919 41.4245 179.3395 105 K 3.8725 8.0705 119.5806 59.4213 32.0728 178.5666 106 L 3.8669 7.9270 120.5990 58.0129 41.9716 178.6884 107 L 3.6770 7.4803 120.2551 58.1467 41.9290 179.2237 108 R 3.8797 7.7696 117.8062 59.3532 29.9701 178.9470 109 M 4.3053 7.9203 119.9367 57.8208 31.9782 178.8868 110 I 3.6225 7.9233 120.1956 64.4760 37.1006 178.6036 111 L 3.6642 7.5677 118.3714 57.0942 41.4067 178.0297 112 N 4.6211 7.8772 114.7336 53.1585 38.8843 175.0276 113 N 4.4751 7.6468 113.7364 53.8441 36.6128 175.0445 114 E 4.1073 8.1911 120.5668 58.6583 30.7042 176.9071 115 V 4.5391 7.5511 119.5699 61.2115 32.4795 175.9700 116 S 4.5913 8.7974 123.3141 60.4244 64.3982 174.1849 117 R 5.0787 8.0591 120.6397 54.0344 33.7108 173.7577 118 V 4.8502 8.7546 125.7749 61.1127 34.2932 174.0725 119 V 4.9866 9.0980 128.5130 61.1098 33.9669 174.6705 120 V 4.8419 8.7803 126.4548 60.0297 34.5401 176.2469 121 A 4.0160 8.9291 125.5925 54.8932 19.5824 177.0197 122 Y 5.1580 7.7420 110.6811 55.6537 41.9782 174.4809 123 P 4.3922 0.0000 0.0000 65.7843 31.5373 178.4716 124 D 5.1507 7.9126 117.4400 54.8605 39.4441 178.1956 125 R 4.1767 7.7805 119.5149 59.4062 30.1782 178.5390 126 L 4.2266 7.6130 116.4070 56.4981 42.4580 177.6195 127 V 4.7083 6.8286 109.5454 58.8882 35.9110 176.3218 128 R 3.7610 8.5389 122.3794 58.6829 30.2081 176.7455 129 F 4.8613 7.7012 113.4861 56.7904 42.9771 174.8283 130 G 4.0409 9.1364 110.0417 46.4431 0.0000 175.2677 131 F 4.0754 8.3466 123.5363 61.1425 39.1149 176.8986 132 E 4.9853 8.3331 119.1561 59.0821 29.2943 179.2339 133 I 3.7561 7.6952 119.3969 64.3874 37.1267 178.4361 134 L 3.9437 7.8489 119.3189 57.8223 41.4076 179.2700 135 E 3.8688 8.1840 118.5458 59.2487 29.3046 179.2937 136 E 3.9106 7.8401 118.7550 59.4876 29.3311 179.5571 137 V 3.6168 7.7155 118.2246 66.1958 31.1650 177.8555 138 C 4.1551 8.2676 116.6265 62.6165 27.9523 175.9624 139 K 4.0387 8.0569 121.0365 59.4416 31.6540 178.3696 140 A 4.2454 8.0542 118.6345 53.7299 18.2814 177.4321 141 H 4.7725 7.3308 113.6635 54.8313 29.4434 173.8435 142 G 3.9626 7.9983 106.2725 47.0817 0.0000 173.1119 143 C 5.0844 9.1640 119.3526 57.0444 34.1273 172.5301 144 E 4.7725 9.0579 126.2962 54.4506 32.3718 174.2473 145 I 4.8737 8.3755 126.5245 59.6990 39.4100 174.9165 146 V 4.4129 8.9060 127.1433 61.0605 33.7745 174.2176 147 V 4.9997 8.5285 127.7421 61.3126 32.9735 175.0162 148 I 4.2130 8.4420 120.6958 61.6418 38.9054 175.6682 149 N 4.7102 7.8683 118.9918 51.5134 40.2925 173.9042 150 Q 4.2690 8.5693 125.3554 54.1658 27.6677 174.3675 151 E 4.6973 7.9236 118.7768 55.0773 32.5605 174.6745 152 D 4.9462 8.3161 118.4756 52.3498 43.8307 175.8453 153 K 4.5458 7.7409 119.2668 54.1865 35.1681 177.2528 154 E 4.0085 8.8096 125.1077 59.9519 29.5001 179.8266 155 E 3.9020 7.9540 117.7853 61.2480 30.0016 180.5570 156 E 4.2028 8.0059 120.2714 58.6774 29.5634 178.3656 157 L 3.8242 7.4427 119.1755 58.2293 42.1942 179.2061 158 V 3.5472 7.9128 118.2242 65.7712 31.5357 177.5143 159 E 3.8666 8.2094 119.1964 59.5653 29.3105 178.6205 160 D 4.3804 8.5797 119.2020 57.1493 40.1127 178.4879 161 L 3.9579 7.5445 120.9994 58.0789 41.8294 179.2646 162 V 3.8030 7.7020 118.0114 66.2176 31.4532 178.2132 163 S 4.1976 7.8993 114.5365 61.5368 62.6422 176.8015 164 I 3.7387 9.6861 122.1598 64.4094 36.8972 178.4614 165 L 3.9165 9.1012 120.0538 57.8454 41.3114 179.8098 166 V 3.6709 9.6351 118.2637 65.9144 30.8976 178.2359 167 S 4.2314 8.6335 114.5956 61.5839 62.8438 176.5652 168 F 4.1150 8.7395 121.7788 60.1083 38.6968 177.7543 169 S 4.3704 8.4826 114.2895 61.4927 62.5227 176.8278 170 G 3.7376 7.8373 108.4162 47.4997 0.0000 175.4821 171 K 4.1532 7.7455 120.0398 59.2796 32.0822 179.5255 172 L 4.1436 8.2971 119.3021 57.7247 41.3910 178.9193 173 Y 3.8488 8.2838 119.8018 60.5100 38.4699 178.2985 174 G 3.5795 7.6989 107.0042 48.4923 0.0000 173.9343 175 M 4.2097 7.9404 114.2576 54.2166 31.8593 175.8475 176 R 3.5357 7.6643 117.5491 57.3664 28.3968 176.7585 177 S 4.3444 8.0053 114.2061 58.8184 64.0841 175.9491 *178 H 4.3115 8.7089 118.5131 56.9049 28.1315 176.7629 179 K 4.5436 7.9174 115.6430 57.1218 32.5883 177.5489 180 Y 4.1364 7.8051 121.6375 60.8988 38.6110 177.9928 181 E 3.9433 8.3000 119.0940 59.0859 29.5873 179.0794 182 K 3.9095 8.0505 118.1945 59.6630 32.1143 179.3483 183 V 3.6191 7.8475 120.8119 66.1010 31.3661 178.6948 184 K 3.8136 8.1556 126.5248 60.2587 31.4387 182.0798 185 K 4.0213 8.2741 125.4139 60.1372 31.2422 180.2144 186 C 4.0749 8.1327 118.0142 62.9841 28.1340 176.6684 187 V 3.5773 8.4268 119.5031 66.2747 30.9259 178.0240 188 E 4.0044 8.4640 117.2273 59.3500 29.2793 178.9207 189 E 4.1200 8.2903 118.3190 58.6104 29.4547 178.2742 190 L 4.4551 7.5396 116.6163 54.9686 42.0625 178.4797 191 K 3.7957 7.8809 118.5221 58.5515 32.0122 176.5376 192 N 4.5045 7.4852 121.0046 53.4854 38.4224 174.6679 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 53 K 8.41 4.20 0.00 1.73 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 54 R 8.26 4.86 0.00 1.72 1.70 0.00 3.15 0.00 0.00 3.88 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.14 0.00 55 K 8.71 4.85 0.00 1.66 1.71 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 56 V 9.28 4.53 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 0.97 0.00 0.00 0.96 0.00 0.00 57 I 8.83 5.01 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.99 0.00 0.00 58 L 8.83 5.01 0.00 1.54 1.50 0.21 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.86 5.25 0.00 2.98 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 60 A 8.55 4.70 1.08 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 0.00 0.00 61 R 8.57 4.98 0.00 1.69 1.77 0.00 3.48 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 62 V 8.32 4.55 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 0.77 0.00 0.00 0.96 0.00 0.00 63 S 8.80 4.13 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.96 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.21 0.00 4.04 4.11 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 66 T 7.58 4.11 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 67 Q 8.01 5.31 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 68 K 8.01 3.96 0.00 1.99 2.26 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 69 D 8.04 4.37 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.39 0.00 2.81 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 71 L 7.97 3.95 0.00 1.90 1.77 0.89 0.99 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 72 V 7.71 3.65 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 0.89 0.00 0.00 0.98 0.00 0.00 73 N 8.28 4.32 0.00 2.95 3.01 0.00 0.00 6.82 6.00 0.00 0.00 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 Q 8.26 4.01 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 75 V 7.99 3.64 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 0.88 0.00 0.00 0.96 0.00 0.00 76 K 7.99 4.01 0.00 1.84 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 77 Y 7.87 4.23 0.00 2.91 3.12 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 78 L 7.76 3.59 0.00 1.60 1.51 0.98 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 79 E 7.61 3.55 0.00 1.85 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 1.54 2.25 0.00 80 E 8.01 4.02 0.00 1.90 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 2.27 2.28 0.00 81 Q 7.88 4.15 0.00 1.68 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 82 V 7.69 4.08 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 0.80 0.00 0.00 0.85 0.00 0.00 83 K 8.95 4.13 0.00 1.81 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.01 7.81 84 E 8.08 4.80 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.83 0.00 85 Y 7.94 5.02 0.00 3.17 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 86 D 9.19 4.70 0.00 2.70 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 87 Q 8.05 4.82 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 88 V 8.47 4.91 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 0.81 0.00 0.00 1.08 0.00 0.00 89 I 9.11 4.93 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 1.16 0.00 0.00 90 T 8.29 5.38 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 1.14 0.00 0.00 91 D 8.25 4.90 0.00 2.63 2.60 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 92 I 9.63 4.75 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 0.47 0.90 0.00 0.00 93 G 8.82 4.64 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 0.00 94 S 7.93 4.27 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.60 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.99 0.00 1.68 1.81 1.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 N 7.75 4.51 0.00 2.72 2.93 0.00 0.00 7.17 7.66 0.00 0.00 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 M 8.58 4.42 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.71 0.00 99 K 9.03 4.48 0.00 1.83 1.88 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 100 R 8.02 4.16 0.00 1.99 2.31 0.00 3.27 0.00 0.00 3.69 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.76 0.00 101 K 8.82 4.17 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.08 7.81 102 G 8.55 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.65 3.99 0.00 3.15 3.27 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 0.00 104 L 7.96 3.79 0.00 2.14 1.69 0.94 0.50 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 0.00 105 K 8.07 3.87 0.00 1.98 1.95 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.46 7.81 106 L 7.93 3.87 0.00 1.79 1.69 0.89 0.12 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 0.00 107 L 7.48 3.68 0.00 1.30 1.46 0.75 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.77 3.88 0.00 2.00 1.90 0.00 3.33 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 109 M 7.92 4.31 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 110 I 7.92 3.62 1.89 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 1.45 1.10 0.85 0.00 0.00 111 L 7.57 3.66 0.00 1.59 1.61 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.88 4.62 0.00 2.70 2.93 0.00 0.00 7.32 7.32 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 0.00 113 N 7.65 4.48 0.00 2.95 2.98 0.00 0.00 6.92 7.92 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 0.00 114 E 8.19 4.11 0.00 2.10 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 2.31 2.38 0.00 115 V 7.55 4.54 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 0.88 0.00 0.00 0.91 0.00 0.00 116 S 8.80 4.59 0.00 3.95 4.10 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 0.00 117 R 8.06 5.08 0.00 1.86 1.76 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 118 V 8.75 4.85 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 0.98 0.00 0.00 0.91 0.00 0.00 119 V 9.10 4.99 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 0.90 0.00 0.00 0.94 0.00 0.00 120 V 8.78 4.84 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 0.90 0.00 0.00 1.16 0.00 0.00 121 A 8.93 4.02 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 0.00 122 Y 7.74 5.16 0.00 3.07 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 0.00 123 P 0.00 4.39 0.00 2.03 1.68 0.00 3.88 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 124 D 7.91 5.15 0.00 2.78 2.73 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 0.00 125 R 7.78 4.18 0.00 2.25 2.27 0.00 3.34 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 126 L 7.61 4.23 0.00 1.84 1.82 0.90 0.73 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 0.00 127 V 6.83 4.71 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 0.95 0.00 0.00 1.11 0.00 0.00 128 R 8.54 3.76 0.00 1.69 1.97 0.00 3.32 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.00 129 F 7.70 4.86 0.00 3.05 2.86 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 0.00 130 G 9.14 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.35 4.08 0.00 3.19 3.04 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 0.00 0.00 0.00 132 E 8.33 4.99 0.00 2.19 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 0.00 2.49 2.47 0.00 133 I 7.70 3.76 2.08 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 1.56 0.64 0.93 0.00 0.00 134 L 7.85 3.94 0.00 1.53 1.48 0.94 0.99 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 0.00 135 E 8.18 3.87 0.00 2.25 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 2.37 2.35 0.00 136 E 7.84 3.91 0.00 2.12 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 2.51 2.47 0.00 137 V 7.72 3.62 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 1.01 0.00 0.00 0.94 0.00 0.00 138 C 8.27 4.16 0.00 2.94 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 0.00 139 K 8.06 4.04 0.00 1.89 1.96 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 140 A 8.05 4.25 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 0.00 141 H 7.33 4.77 0.00 3.09 3.24 0.00 5.82 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 0.00 142 G 8.00 3.96 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 0.00 0.00 0.00 143 C 9.16 5.08 0.00 3.09 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 0.00 144 E 9.06 4.77 0.00 2.06 1.74 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 2.20 2.27 0.00 145 I 8.38 4.87 1.93 0.00 0.00 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 1.18 0.68 0.99 0.00 0.00 146 V 8.91 4.41 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 0.95 0.00 0.00 0.95 0.00 0.00 147 V 8.53 5.00 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 0.93 0.00 0.00 1.06 0.00 0.00 148 I 8.44 4.21 1.92 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 1.44 0.90 0.88 0.00 0.00 149 N 7.87 4.71 0.00 2.27 2.94 0.00 0.00 6.92 9.03 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 0.00 150 Q 8.57 4.27 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 151 E 7.92 4.70 0.00 2.08 1.91 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 2.60 2.36 0.00 152 D 8.32 4.95 0.00 2.57 2.48 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 0.00 153 K 7.74 4.55 0.00 1.48 1.48 0.00 1.34 0.00 0.00 1.36 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.31 7.81 154 E 8.81 4.01 0.00 1.97 1.89 0.00 0.00 0.00 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 2.33 0.00 155 E 7.95 3.90 0.00 2.01 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 2.31 1.93 0.00 156 E 8.01 4.20 0.00 1.95 1.89 0.00 0.00 0.00 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 2.32 0.00 157 L 7.44 3.82 0.00 1.96 1.79 0.86 0.74 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 0.00 158 V 7.91 3.55 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 0.91 0.00 0.00 0.89 0.00 0.00 159 E 8.21 3.87 0.00 2.27 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 2.29 2.33 0.00 160 D 8.58 4.38 0.00 2.72 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 0.00 161 L 7.54 3.96 0.00 1.83 1.90 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.70 3.80 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 0.96 0.00 0.00 0.95 0.00 0.00 163 S 7.90 4.20 0.00 4.06 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 0.00 164 I 9.69 3.74 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.13 0.62 0.00 0.00 165 L 9.10 3.92 0.00 1.93 1.69 0.88 0.73 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 0.00 166 V 9.64 3.67 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 1.08 0.00 0.00 1.04 0.00 0.00 167 S 8.63 4.23 0.00 4.16 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 0.00 168 F 8.74 4.12 0.00 3.25 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 0.00 169 S 8.48 4.37 0.00 4.02 4.31 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 0.00 170 G 7.84 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 0.00 0.00 0.00 171 K 7.75 4.15 0.00 1.79 1.77 0.00 1.35 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 172 L 8.30 4.14 0.00 2.01 1.86 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 8.28 3.85 0.00 2.92 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 0.00 174 G 7.70 3.58 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 0.00 175 M 7.94 4.21 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 176 R 7.66 3.54 0.00 1.83 1.83 0.00 3.20 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 177 S 8.01 4.34 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *178 H 8.71 4.31 0.00 2.95 3.03 0.00 7.19 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 0.00 179 K 7.92 4.54 0.00 1.86 1.88 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.44 7.81 180 Y 7.81 4.14 0.00 3.29 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 0.00 181 E 8.30 3.94 0.00 2.15 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 2.51 2.67 0.00 182 K 8.05 3.91 0.00 1.98 1.86 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.57 7.81 183 V 7.85 3.62 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 0.97 0.00 0.00 1.03 0.00 0.00 184 K 8.16 3.81 0.00 1.77 1.81 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.34 7.81 185 K 8.27 4.02 0.00 1.70 1.88 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.39 7.81 186 C 8.13 4.07 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 8.43 3.58 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 1.01 0.00 0.00 0.96 0.00 0.00 188 E 8.46 4.00 0.00 2.10 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 2.32 2.32 0.00 189 E 8.29 4.12 0.00 1.91 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 2.46 2.47 0.00 190 L 7.54 4.46 0.00 1.65 1.66 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.88 3.80 0.00 1.80 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.57 7.81 192 N 7.49 4.50 0.00 2.62 2.72 0.00 0.00 6.81 7.44 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 * Residues marked with a * may have inaccurate shift predictions.