NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6227 8.2233 120.1943 54.0033 42.6647 176.3521 3 D 4.2814 8.5830 124.6350 56.5141 40.8325 177.4637 4 R 3.8987 8.4187 119.0139 59.3394 30.5694 177.9005 5 L 3.9473 8.3330 120.1216 57.9539 41.8828 178.4966 6 F 4.1105 7.8683 118.9706 61.5928 39.4285 176.9524 7 R 3.9449 8.1891 116.3517 59.3035 29.9286 178.4791 8 N 4.4203 8.3125 115.4116 56.0862 38.7920 177.9612 9 A 4.1115 7.8659 119.0951 52.6988 18.2518 179.1868 *11 G 3.7393 8.0896 110.2448 46.6374 0.0000 175.3323 12 K 3.9541 7.8683 117.9112 57.3437 32.3023 176.7783 13 F 4.6497 7.9771 121.4885 56.3464 38.8238 174.7900 14 A 4.6673 8.1266 130.4145 52.5108 19.0634 176.0682 15 T 4.5257 8.7789 109.8982 60.2185 73.1281 174.0589 16 G 4.1273 8.4599 108.8900 44.9026 0.0000 172.5439 17 V 4.8030 8.3755 118.2362 61.2841 35.0646 175.2825 18 T 5.1067 8.8762 116.5185 59.8365 72.7765 172.5052 19 V 4.4744 8.5187 121.9702 61.0625 34.2207 174.3227 20 I 4.6708 8.2185 128.9222 60.8551 38.5285 174.8897 21 T 5.1450 8.7623 116.7856 60.5138 72.2641 172.6733 22 T 4.8675 8.6997 116.7836 61.2993 71.8018 171.4413 23 E 5.0495 8.5403 123.5518 54.1995 32.6824 174.8727 24 L 4.3837 8.7563 127.5425 53.8888 44.1875 175.6224 25 N 4.1786 9.9393 126.3756 54.1837 35.9651 173.1217 26 G 4.2201 8.2398 108.4716 45.5386 0.0000 173.0601 27 A 4.0471 7.4445 123.4612 51.3681 19.0258 176.1997 28 V 4.2529 7.9858 123.1619 62.2687 32.5544 174.8274 29 H 5.0105 9.2799 125.0588 54.1798 32.1599 173.3339 30 G 4.5903 8.4788 107.8753 44.6383 0.0000 171.3478 *32 T 4.3950 8.3901 114.6967 63.3984 69.7381 173.6163 33 A 4.7087 8.8490 128.0044 50.8321 22.3099 176.1105 34 N 4.9829 8.7064 116.9575 52.5870 39.2458 175.5871 35 A 4.3954 7.7440 124.1345 51.2701 16.7483 175.0889 36 F 5.4125 7.5376 122.6604 54.3300 43.5747 173.4398 *38 S 4.0673 8.3079 115.4525 58.1511 62.9904 172.0956 39 V 4.1734 8.5886 125.8672 63.9150 33.0768 175.5623 40 S 4.6549 7.4812 112.4995 56.5708 65.5940 173.8843 41 L 4.0041 8.6398 127.7172 56.7393 42.3753 176.3266 42 N 4.8273 7.8156 116.7248 50.4974 40.0503 172.3615 43 P 4.4711 0.0000 0.0000 61.6627 32.6208 176.4351 44 K 4.4591 8.3830 117.5026 56.4008 32.1968 176.2665 45 L 5.4889 8.9434 125.4801 52.8213 45.8950 176.1841 46 V 4.9165 8.9228 120.3422 60.3871 35.5935 173.6420 47 L 5.4995 8.1799 121.4985 53.6506 45.8006 174.8156 48 V 4.8381 8.8669 123.8878 59.9781 35.1789 174.0704 49 S 5.2630 8.8050 117.4258 56.7399 64.3587 173.1034 50 I 4.6470 8.8247 128.2219 59.0720 40.2357 175.6148 51 G 3.7023 8.6304 113.9001 45.8712 0.0000 174.4758 52 E 4.1515 8.8544 121.0605 58.4249 29.7058 178.0392 53 K 4.2496 7.8653 116.4273 56.2144 32.7271 176.2368 54 A 4.2931 7.6226 123.6066 51.3237 18.8463 179.4702 55 K 3.9353 8.5671 125.8241 56.0815 32.1348 179.0671 *57 L 4.3729 8.0543 120.7745 55.1192 44.0910 178.2385 58 E 4.2974 7.9462 117.8390 58.7834 29.4099 178.8147 59 K 3.8381 7.6960 119.1090 59.5562 32.0701 179.2942 60 I 3.6556 7.4471 119.2806 64.1232 36.5328 178.1209 61 Q 4.1523 8.0856 119.0078 59.0874 28.2971 179.2087 62 Q 4.0272 7.9544 118.1428 58.9966 29.1113 178.5037 63 S 4.2193 8.1159 113.5277 59.0050 63.2914 174.3367 64 K 4.0115 8.4629 121.3344 56.3834 30.1578 174.2472 65 K 5.0083 7.5278 115.0803 56.4420 35.7895 174.2634 66 Y 5.0071 8.1138 116.9011 56.3131 41.5752 172.8822 67 A 5.2048 9.0515 122.9629 50.2805 22.5785 175.4905 68 V 4.3273 8.9301 121.2293 61.3055 33.7919 174.3815 69 N 4.8698 8.8867 126.7219 51.4928 40.3120 174.1419 70 I 4.2835 8.3745 126.5167 60.8900 38.5154 175.7277 71 L 4.7830 9.0756 128.5163 54.2065 43.1853 177.0884 72 S 4.7136 9.3967 118.6265 57.6165 64.2132 174.8431 73 Q 3.9500 8.9992 122.4654 59.4274 28.7055 177.4834 74 D 4.7965 7.9952 115.4883 54.3764 40.9000 176.3682 75 Q 4.6079 7.8213 117.7702 55.3591 29.9172 177.6086 76 K 3.5129 8.2806 121.6515 59.4466 32.4010 178.0530 77 V 3.6741 7.7282 117.0928 65.8774 31.8896 176.8343 78 L 4.0927 7.9810 119.2777 58.0084 41.6417 179.3066 79 S 4.1458 8.0409 109.3370 59.7332 62.3474 174.9951 *81 N 4.5096 8.1314 117.3921 53.5674 40.0053 175.8146 82 F 4.4777 8.2225 113.2755 58.3490 39.0962 175.9818 83 A 4.4921 7.7861 123.2571 51.2702 19.0437 177.4144 84 G 3.8924 7.8827 103.9078 47.0305 0.0000 174.7159 85 Q 4.3936 8.2002 118.5967 55.4278 29.6754 174.9377 86 L 4.8465 7.4205 116.2160 53.4339 44.4241 176.4496 87 E 4.0167 8.8573 121.8395 58.2003 29.7327 177.1101 88 K 4.4621 7.6442 119.4099 53.5178 33.8037 173.7986 89 P 4.4488 0.0000 0.0000 62.5695 31.9768 176.5463 90 V 3.9305 8.3143 115.2626 60.3033 32.6809 176.0307 91 D 4.5105 8.3300 122.0902 53.3660 40.6103 175.7751 92 V 3.8540 8.0355 126.8185 61.6136 32.8128 175.3243 93 Q 4.2244 8.2663 125.9650 55.6282 29.3638 174.6539 94 F 5.4975 8.7355 123.2621 55.9815 41.4548 175.4862 95 E 4.9846 9.1622 120.2922 54.9617 32.9869 173.7806 96 E 5.0785 8.7053 118.2608 54.9511 32.9822 175.7612 97 L 4.3249 9.1962 127.2164 54.9423 45.0196 175.5626 98 G 3.8560 9.2117 114.8315 45.7605 0.0000 174.1070 99 G 3.9202 8.6030 105.5361 44.9417 0.0000 173.9515 100 L 4.7738 7.5049 119.6832 51.5967 44.3722 173.9535 101 P 4.9344 0.0000 0.0000 63.1112 32.0125 175.8559 102 V 4.7531 9.0584 115.7989 59.6813 36.6372 174.2726 103 I 4.5264 8.9170 123.7504 59.6833 38.4604 175.8711 104 K 4.0535 8.3623 128.8874 58.0435 32.4691 176.3901 105 D 4.5126 8.9212 123.2061 54.4648 38.3290 174.1425 106 A 4.3560 7.3875 122.1254 52.0983 19.1797 177.8953 107 L 4.1701 8.9376 122.4615 57.5353 43.2098 176.8777 108 A 5.1262 7.6746 117.6202 50.8290 22.9636 175.0412 109 Q 4.9271 9.3419 118.5448 54.1907 33.0538 174.8320 110 I 4.8833 8.5513 123.6149 59.9319 41.0258 174.3349 111 S 4.9896 9.0193 124.2061 57.3141 65.0937 173.4948 112 C 5.2136 8.7236 120.1139 58.1357 32.9165 172.7607 113 Q 4.7901 8.5766 120.4897 53.7072 31.0673 175.3999 114 V 4.1907 8.5187 125.1141 63.6018 31.5387 175.9721 115 V 4.4649 8.8650 120.3801 61.4762 33.7623 175.2341 116 N 4.9710 7.8980 117.5869 52.4583 42.3940 172.6720 117 E 5.0389 8.7247 123.2509 54.5043 33.0761 175.3643 118 V 4.2496 8.3702 123.6376 60.8020 34.5993 174.3468 119 Q 4.4029 8.7283 129.6651 56.1982 30.0941 175.9034 120 A 4.3944 9.2339 129.4753 51.2633 21.3729 177.7578 121 G 3.8025 8.3643 114.2409 47.0843 0.0000 174.9416 122 D 4.5034 8.9288 126.0838 56.8975 40.8398 175.2244 123 H 5.3951 8.3109 114.7701 54.2901 33.8356 172.2844 124 T 4.8554 8.9059 116.5074 61.7866 71.5919 173.4570 125 L 4.7081 8.9067 126.6185 53.8567 43.5170 175.6783 126 F 5.1737 9.3012 124.1158 55.9180 40.8206 175.0233 127 I 4.6365 8.7439 126.6718 60.6018 38.3184 175.4524 128 G 4.3611 9.3597 115.1743 44.2077 0.0000 171.4299 129 E 4.8675 9.0226 126.2398 55.2404 31.1722 175.3505 130 V 4.3366 8.6000 128.2834 63.0266 31.5992 175.5346 131 T 4.5219 8.8605 118.1908 62.6749 70.3000 174.5932 132 D 4.8479 7.7092 120.2165 53.0119 45.5412 174.4814 133 I 4.9747 8.2623 121.8602 59.5425 41.4327 174.5722 134 K 4.6830 9.2266 126.5124 54.8074 35.5199 174.9709 135 I 5.0801 8.4786 126.5873 59.7732 40.8441 174.1951 136 T 4.7245 8.6035 114.0395 59.7484 72.9691 173.5235 137 E 4.4058 8.4434 118.4604 56.2786 30.0651 176.8356 138 Q 4.3247 7.8837 117.0150 55.5165 30.0767 175.3891 139 D 4.8694 8.3037 118.9670 53.3427 42.4522 174.2622 140 P 4.9578 0.0000 0.0000 61.6192 33.2616 175.1504 141 L 4.3041 8.5157 124.3073 55.2228 43.2758 175.7572 142 L 5.2644 8.9092 125.3367 53.0784 45.6551 175.0901 143 F 5.3869 9.2449 122.7986 56.7478 43.0548 173.3387 144 F 4.8510 8.8383 126.4882 57.8974 43.3297 174.0653 145 S 3.2427 8.8379 122.1492 59.4342 60.7082 173.6391 146 G 3.6901 7.6943 105.4683 45.3246 0.0000 173.9579 147 K 4.4394 6.8134 118.1966 54.0778 35.8140 175.1042 148 Y 5.0302 8.2384 118.5871 58.8151 38.9217 174.4959 149 H 5.0713 9.4353 118.7722 54.8978 34.2033 171.9138 150 Q 5.0159 8.4704 117.0680 53.8241 32.5649 175.8371 151 L 4.0729 8.4880 120.4680 54.2960 42.3689 177.3592 152 A 4.0960 8.4287 125.4899 52.5161 19.0427 177.6706 153 Q 4.2472 8.5401 119.7846 56.0239 29.1079 175.7188 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 D 8.22 4.62 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.28 0.00 2.87 2.75 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 4 R 8.42 3.90 0.00 1.89 2.21 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 L 8.33 3.95 0.00 1.94 1.70 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.87 4.11 0.00 3.06 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 7 R 8.19 3.94 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 8 N 8.31 4.42 0.00 2.82 2.81 0.00 0.00 7.03 6.89 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 9 A 7.87 4.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 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 12 K 7.87 3.95 0.00 1.96 1.98 0.00 1.70 0.00 0.00 1.29 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.50 7.81 13 F 7.98 4.65 0.00 2.95 3.07 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 14 A 8.13 4.67 1.04 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 15 T 8.78 4.53 4.36 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 1.43 0.00 0.00 16 G 8.46 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 8.38 4.80 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 1.01 0.00 0.00 1.12 0.00 0.00 18 T 8.88 5.11 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 1.01 0.00 0.00 19 V 8.52 4.47 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 0.15 0.00 0.00 0.90 0.00 0.00 20 I 8.22 4.67 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.72 0.00 0.00 21 T 8.76 5.14 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 1.13 0.00 0.00 22 T 8.70 4.87 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 1.18 0.00 0.00 23 E 8.54 5.05 0.00 1.87 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 2.12 2.19 0.00 24 L 8.76 4.38 0.00 1.69 1.50 0.91 0.83 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 25 N 9.94 4.18 0.00 2.86 2.81 0.00 0.00 7.36 7.65 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 26 G 8.24 4.22 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 0.00 0.00 0.00 27 A 7.44 4.05 1.21 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 0.00 0.00 28 V 7.99 4.25 1.58 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 -0.11 0.00 0.00 0.52 0.00 0.00 29 H 9.28 5.01 0.00 3.03 3.15 0.00 5.61 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 30 G 8.48 4.59 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 0.00 0.00 0.00 *32 T 8.39 4.40 4.30 0.00 0.00 0.00 0.00 0.00 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 33 A 8.85 4.71 1.22 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 0.00 0.00 34 N 8.71 4.98 0.00 3.02 2.91 0.00 0.00 6.10 7.26 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 35 A 7.74 4.40 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 36 F 7.54 5.41 0.00 2.96 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 *38 S 8.31 4.07 0.00 3.88 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 39 V 8.59 4.17 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 0.81 0.00 0.00 0.89 0.00 0.00 40 S 7.48 4.65 0.00 3.83 3.64 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 41 L 8.64 4.00 0.00 1.63 1.67 0.93 0.92 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 42 N 7.82 4.83 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.47 0.00 2.18 2.08 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.38 4.46 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.68 7.81 45 L 8.94 5.49 0.00 1.56 1.54 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.92 4.92 2.30 0.00 0.00 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 0.00 0.00 1.15 0.00 0.00 47 L 8.18 5.50 0.00 1.73 1.44 0.91 0.72 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 48 V 8.87 4.84 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 0.39 0.00 0.00 1.02 0.00 0.00 49 S 8.81 5.26 0.00 3.92 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 50 I 8.82 4.65 2.17 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 1.17 0.62 0.98 0.00 0.00 51 G 8.63 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.85 4.15 0.00 2.08 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 2.35 2.28 0.00 53 K 7.87 4.25 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.48 7.81 54 A 7.62 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 55 K 8.57 3.94 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.45 7.81 *57 L 8.05 4.37 0.00 1.82 1.82 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.95 4.30 0.00 2.20 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 2.48 2.19 0.00 59 K 7.70 3.84 0.00 1.69 1.82 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.60 1.47 7.81 60 I 7.45 3.66 1.03 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.27 0.00 0.00 61 Q 8.09 4.15 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.92 2.87 0.00 62 Q 7.95 4.03 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 63 S 8.12 4.22 0.00 4.00 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 64 K 8.46 4.01 0.00 1.93 1.92 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.52 7.81 65 K 7.53 5.01 0.00 1.77 1.68 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.36 7.81 66 Y 8.11 5.01 0.00 3.09 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 67 A 9.05 5.20 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 68 V 8.93 4.33 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 0.13 0.00 0.00 1.11 0.00 0.00 69 N 8.89 4.87 0.00 2.63 2.67 0.00 0.00 6.59 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 70 I 8.37 4.28 1.83 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 1.04 0.41 0.91 0.00 0.00 71 L 9.08 4.78 0.00 1.65 1.57 1.00 0.63 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 S 9.40 4.71 0.00 3.87 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 73 Q 9.00 3.95 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.25 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 74 D 8.00 4.80 0.00 2.70 2.64 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 75 Q 7.82 4.61 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.28 3.51 0.00 1.46 1.65 0.00 1.54 0.00 0.00 1.37 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.25 7.81 77 V 7.73 3.67 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.98 4.09 0.00 1.97 1.90 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.04 4.15 0.00 3.89 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 *81 N 8.13 4.51 0.00 2.73 2.62 0.00 0.00 7.14 7.71 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 82 F 8.22 4.48 0.00 3.14 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 83 A 7.79 4.49 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 84 G 7.88 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 0.00 0.00 0.00 85 Q 8.20 4.39 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 86 L 7.42 4.85 0.00 1.58 1.49 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.86 4.02 0.00 1.94 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 2.24 0.00 88 K 7.64 4.46 0.00 1.65 1.65 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.38 7.81 89 P 0.00 4.45 0.00 2.03 1.88 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 90 V 8.31 3.93 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 0.55 0.00 0.00 0.82 0.00 0.00 91 D 8.33 4.51 0.00 2.60 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 92 V 8.04 3.85 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 0.24 0.00 0.00 0.87 0.00 0.00 93 Q 8.27 4.22 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 94 F 8.74 5.50 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.16 4.98 0.00 1.99 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 0.00 2.20 2.24 0.00 96 E 8.71 5.08 0.00 1.90 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 2.17 2.25 0.00 97 L 9.20 4.32 0.00 1.69 1.45 0.92 0.85 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 98 G 9.21 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 99 G 8.60 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 0.00 100 L 7.50 4.77 0.00 1.86 1.52 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.93 0.00 1.76 1.82 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 102 V 9.06 4.75 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 0.76 0.00 0.00 1.00 0.00 0.00 103 I 8.92 4.53 1.81 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.29 0.81 0.00 0.00 104 K 8.36 4.05 0.00 1.77 1.66 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 105 D 8.92 4.51 0.00 2.86 2.79 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 0.00 106 A 7.39 4.36 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.94 4.17 0.00 1.78 1.91 1.00 0.99 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 0.00 108 A 7.67 5.13 1.22 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 0.00 0.00 109 Q 9.34 4.93 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 110 I 8.55 4.88 1.87 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 1.26 0.65 0.98 0.00 0.00 111 S 9.02 4.99 0.00 3.72 3.71 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 0.00 112 C 8.72 5.21 0.00 1.90 2.33 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 0.00 113 Q 8.58 4.79 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 114 V 8.52 4.19 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 1.00 0.00 0.00 1.14 0.00 0.00 115 V 8.87 4.46 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 0.76 0.00 0.00 0.96 0.00 0.00 116 N 7.90 4.97 0.00 2.79 2.62 0.00 0.00 6.97 7.65 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 0.00 117 E 8.72 5.04 0.00 1.80 1.63 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 0.00 1.95 2.41 0.00 118 V 8.37 4.25 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 0.90 0.00 0.00 0.89 0.00 0.00 119 Q 8.73 4.40 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 120 A 9.23 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.36 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 0.00 122 D 8.93 4.50 0.00 2.84 2.98 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 0.00 123 H 8.31 5.40 0.00 3.08 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.91 4.86 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 0.52 0.00 0.00 125 L 8.91 4.71 0.00 1.47 1.56 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.30 5.17 0.00 2.87 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 0.00 127 I 8.74 4.64 1.94 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 1.20 0.76 0.96 0.00 0.00 128 G 9.36 4.36 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 0.00 129 E 9.02 4.87 0.00 2.04 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 2.26 2.44 0.00 130 V 8.60 4.34 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 0.88 0.00 0.00 0.98 0.00 0.00 131 T 8.86 4.52 4.22 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 1.23 0.00 0.00 132 D 7.71 4.85 0.00 2.56 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 0.00 133 I 8.26 4.97 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.92 0.00 0.00 134 K 9.23 4.68 0.00 1.80 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.44 7.81 135 I 8.48 5.08 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.92 0.00 0.00 136 T 8.60 4.72 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 1.25 0.00 0.00 137 E 8.44 4.41 0.00 1.96 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 2.23 2.25 0.00 138 Q 7.88 4.32 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.30 4.87 0.00 2.60 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 0.00 140 P 0.00 4.96 0.00 2.10 2.06 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 141 L 8.52 4.30 0.00 1.99 1.65 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.91 5.26 0.00 1.78 1.60 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.24 5.39 0.00 3.06 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 0.00 144 F 8.84 4.85 0.00 3.01 2.67 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 0.00 145 S 8.84 3.24 0.00 2.93 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 0.00 146 G 7.69 3.69 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 0.00 147 K 6.81 4.44 0.00 1.62 1.50 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.22 7.81 148 Y 8.24 5.03 0.00 2.97 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 0.00 149 H 9.44 5.07 0.00 3.09 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.47 5.02 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 151 L 8.49 4.07 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.43 4.10 1.22 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 0.00 0.00 153 Q 8.54 4.25 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.