NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Q 4.2882 8.3449 119.1103 54.6681 29.6853 174.2910 16 E 4.3338 8.6539 123.5540 54.6975 30.8674 174.2883 17 H 4.8279 8.9782 121.7480 53.9310 31.4765 173.4113 18 K 4.9516 8.7946 125.8307 56.0209 33.6747 175.5047 19 V 5.3597 9.2626 127.0980 61.1461 34.8837 173.9446 20 I 5.1913 8.8545 120.8494 59.3218 40.6096 174.2816 21 I 5.1069 9.2104 125.8944 59.9107 39.4064 175.1279 22 V 4.8185 9.8544 120.1584 58.9740 36.0592 175.1906 23 G 4.3963 8.3201 110.8381 46.0250 0.0000 171.9377 24 L 4.3880 7.7834 120.2569 53.8329 42.3529 176.6936 25 D 4.3197 8.2643 119.7741 54.9486 39.5953 176.2666 26 N 4.3400 8.9507 118.3891 53.8763 37.6450 174.7453 27 A 4.0218 7.6105 120.8868 55.6650 18.6736 178.0093 28 G 3.6620 8.5335 103.3186 45.5134 0.0000 175.6140 29 K 3.8686 8.4365 121.8928 59.7304 31.9684 179.1519 30 T 3.8508 7.7900 115.2112 67.0415 68.3657 176.7882 31 T 3.8057 7.7182 117.1004 66.5195 68.5188 176.8136 32 I 3.2934 7.9013 122.1757 63.9762 36.8247 178.2774 33 L 3.6360 7.3207 119.8881 58.1013 42.1368 177.7389 34 Y 4.2490 8.0750 119.6399 61.2365 38.6651 178.5403 35 Q 3.9603 8.5109 118.7158 58.5457 28.6888 178.4812 36 F 4.5464 8.0406 119.2977 61.0592 38.7637 177.8064 37 S 4.2024 7.7372 113.2660 61.1400 62.6405 175.6748 38 M 4.2611 7.4466 118.9771 54.3824 32.9076 175.9204 39 N 4.5133 7.5743 119.5353 52.8390 39.9318 174.9691 40 E 3.8949 9.0195 125.9049 59.6944 29.5755 178.5764 41 V 3.7769 7.9746 109.5727 62.5677 31.9855 176.1678 42 V 4.2966 7.3414 120.4504 61.3018 32.3616 175.1611 43 H 4.2072 8.5783 124.6211 56.3645 29.3559 175.3346 44 T 3.8425 8.6486 121.4920 64.9140 68.2739 174.6711 *51 N 4.7680 8.8252 125.8374 52.0327 40.8545 170.7052 52 V 4.4997 7.7185 115.9663 61.8128 33.8124 174.0786 53 E 4.6490 8.8147 129.3008 54.1079 32.7853 174.1742 54 E 4.7728 8.7793 127.7485 55.8569 30.9271 175.3643 55 I 4.5753 8.9687 127.7624 59.5739 40.5232 174.4089 56 V 4.9254 8.4985 127.0872 61.1403 34.0771 174.4054 57 I 4.9777 8.8584 128.6517 60.4819 41.1196 176.2757 58 N 4.1201 8.9863 123.6493 54.8309 37.5408 174.9840 59 N 4.7919 9.2823 122.8557 54.0082 39.8292 174.1566 60 T 4.2356 8.3808 117.6977 62.3875 69.7080 173.5957 61 R 4.9297 8.2694 125.3592 54.7090 32.2766 175.0812 62 F 5.2838 9.4178 123.2219 55.6106 42.1592 174.5443 63 L 4.8984 9.0769 125.5243 53.9467 43.7889 174.6423 64 M 5.3543 9.1000 127.5127 53.5421 34.5718 175.1660 65 W 5.1069 9.3710 124.0340 54.9490 31.8399 174.5453 66 D 4.9852 9.2665 126.4175 53.5238 41.2200 176.2223 67 I 3.9682 8.7465 129.1783 62.5604 37.2390 175.3416 68 G 3.6299 8.6599 116.5714 45.7931 0.0000 171.7679 *77 W 4.7062 7.8540 123.8502 57.1273 31.5204 176.4059 78 N 4.8390 8.0279 114.6299 51.4422 38.1024 179.6129 79 T 4.5084 7.9182 112.7525 60.5287 70.1694 174.6730 *80 Y 3.5338 8.1682 125.7378 60.5704 37.9300 176.7307 81 Y 4.4834 7.5503 117.2275 60.1430 38.2361 176.0294 82 T 3.9364 7.1560 117.3513 64.9621 68.7127 173.7710 83 N 4.3266 9.0438 121.7601 54.1346 36.1278 174.2854 84 T 4.0675 7.6316 115.8875 63.9307 69.1279 173.7549 85 E 4.2728 9.5376 127.5977 57.2510 31.7010 175.7374 86 F 5.5205 8.1436 116.7772 55.5685 43.5290 174.0672 87 V 4.8268 9.1157 123.3563 61.4022 33.6470 174.2760 88 I 4.9446 9.0323 129.8475 59.9578 39.1041 174.6949 89 V 4.7237 8.8388 128.6057 61.2546 33.3590 174.4657 90 V 4.7722 8.7128 128.9645 61.5072 32.8067 174.9065 91 V 4.3429 8.6648 128.5649 60.8565 34.0858 173.9211 92 D 4.8225 8.6792 127.9895 54.1990 41.6014 176.9094 93 S 4.3122 9.2027 123.9397 60.6811 63.0761 176.3658 94 T 4.2138 7.9867 109.7188 62.8366 68.9292 175.2361 95 D 4.6028 7.6050 124.1501 53.0577 39.5412 176.5348 96 R 3.9189 7.8936 122.0400 58.4530 30.5350 177.6035 97 E 4.1178 8.1727 117.5603 58.3712 29.8984 178.1928 98 R 4.4955 7.7344 115.2317 55.9215 30.7303 177.7915 99 I 3.6780 7.3370 119.8414 63.8457 37.8717 177.8792 100 S 4.5089 7.9871 115.0228 61.4586 62.8177 176.5421 101 V 3.5953 7.6866 121.3246 66.0930 31.3037 177.9339 102 T 3.8744 7.9936 115.4492 66.5809 68.3946 176.4906 103 R 3.9615 8.3437 120.6543 59.5508 30.1102 178.4189 104 E 4.0637 8.2286 118.1308 59.6324 29.4457 179.2169 105 E 3.9997 8.2123 118.5868 59.1357 29.3850 179.0562 106 L 3.7757 8.1613 120.6364 58.6348 41.9406 178.8751 107 Y 4.0269 7.5464 114.7788 60.6109 37.5709 177.8731 108 K 4.1381 8.3654 120.9614 59.7303 32.3196 178.5754 109 M 4.0260 8.3237 118.6296 58.6290 31.9891 178.1875 110 L 3.9776 7.9783 117.6668 56.9540 41.8157 178.3548 111 A 4.3786 7.4787 118.0881 51.9540 19.5445 177.1529 112 H 4.3787 7.9346 116.7207 55.0532 29.4818 176.6261 113 E 4.0665 8.8561 121.8964 59.4387 29.6791 178.1537 114 D 4.4812 8.2654 118.3253 56.5435 41.2615 176.8392 115 L 4.5742 7.8094 117.3171 54.4508 41.8781 178.5081 116 R 4.0607 7.9670 119.3921 58.4883 30.1403 177.4298 117 K 4.2993 7.8555 114.3289 55.9329 32.7399 176.2266 118 A 4.2549 7.6681 121.8998 51.6198 18.9772 178.1278 119 G 4.0339 8.5862 109.4140 46.1210 0.0000 172.3209 120 L 5.3421 9.4745 125.0598 52.9882 44.8493 174.7272 121 L 4.7446 9.2559 129.4709 53.3636 44.4218 174.8268 122 I 4.7578 8.4718 128.2642 59.7463 39.3686 174.7378 123 F 5.0951 9.2262 127.0542 56.2544 40.6710 175.3558 124 A 4.5919 9.0241 127.6434 51.0580 18.4394 176.1267 125 N 4.8817 9.3849 120.9902 53.3752 41.5046 174.5491 126 K 4.4232 8.4520 116.7380 57.2182 29.3068 177.9762 127 Q 4.2249 7.8803 118.2435 57.8446 28.8513 177.5969 128 D 4.4206 7.9795 117.7470 55.3694 39.8358 176.2983 129 V 3.7906 7.8211 123.9311 62.2701 32.0494 176.0140 130 K 3.9518 8.5156 128.6783 56.3140 31.9279 173.3337 131 E 3.8983 8.9631 120.8544 56.3651 26.7657 174.3577 132 C 4.4781 7.4071 112.4998 57.9279 30.6286 173.4203 133 M 4.4716 8.7158 120.7200 55.8686 32.2072 176.7939 134 T 4.3210 9.0209 113.1262 61.0788 70.3972 176.1078 135 V 3.5944 8.5572 122.5152 65.0378 31.1948 178.3679 136 A 4.0014 7.9588 120.8538 54.8988 18.2545 179.1052 137 E 3.9462 8.2688 117.0980 59.7629 29.4766 179.8003 138 I 3.7317 8.0183 119.7978 64.3258 37.2735 178.3459 139 S 4.0123 8.3721 114.2965 61.4377 62.3664 175.9954 140 Q 3.9442 8.3679 122.3779 59.1727 28.6114 177.9636 141 F 3.9969 8.2404 120.4805 61.2849 39.6212 176.6075 142 L 4.2269 8.2288 115.7741 54.5959 42.0165 176.8796 143 K 3.8256 7.9338 117.7394 57.1690 30.3819 177.8569 144 L 3.3544 7.5683 120.6038 57.8079 41.5128 179.5389 145 T 4.5019 7.7665 105.4273 63.0422 68.7467 174.7607 146 S 4.5733 7.7761 117.7032 58.7967 63.6131 174.5377 147 I 3.9771 7.5900 122.8945 61.3411 37.1486 175.9132 148 K 4.5549 8.8057 123.2928 56.6036 34.0895 176.5848 149 D 4.9232 8.2323 115.5263 54.1117 41.6505 175.5437 150 H 5.0316 7.9424 115.6114 53.6824 32.7579 173.0600 151 Q 4.6075 8.7824 122.5975 56.0977 29.6942 175.2211 152 W 6.1681 8.4659 118.7978 55.7368 31.5881 173.4180 153 H 4.1134 7.9671 119.6145 54.4472 32.6515 171.4955 154 I 4.7866 8.0306 125.1731 59.3272 40.3707 174.4210 155 Q 4.4501 8.8608 129.0662 54.0713 32.4023 173.9202 156 A 4.7522 8.7593 128.9072 52.6953 19.9766 175.6275 157 C 5.1429 8.9265 114.9328 57.5105 34.0613 172.6326 158 C 4.8572 8.8195 119.1577 57.7094 33.4627 174.4707 159 A 4.1271 8.7043 129.4939 53.8970 18.3584 178.3973 160 L 4.1488 7.8920 115.3927 56.8230 41.8535 177.7993 161 T 4.3794 7.7360 105.7358 60.3125 70.7241 175.1492 162 G 3.9016 8.2725 110.4355 45.3620 0.0000 173.2445 163 E 4.1928 7.7012 120.5480 57.6712 30.0015 177.5414 164 G 4.4860 8.9156 110.7334 47.2243 0.0000 175.6322 165 L 4.1855 7.8559 119.4236 57.7934 41.4310 178.8310 166 C 4.0895 8.1604 118.2365 62.7476 31.5530 175.4966 167 Q 4.1392 8.2844 119.1920 58.8798 28.3488 179.0097 168 G 3.6459 8.2207 106.5019 47.8913 0.0000 175.7475 169 L 3.7466 8.2048 121.9743 57.4175 41.6824 179.5278 170 E 3.9208 8.4752 118.7720 58.9627 29.1304 179.2009 171 W 3.9524 7.9623 127.5377 60.6411 31.1047 177.4666 172 M 3.4771 7.9417 118.4951 58.5327 31.2939 178.3655 173 M 4.0556 7.8377 118.8603 58.7003 32.0220 178.8831 174 S 4.2182 7.6097 111.3935 60.0787 63.3374 175.4211 175 R 4.2044 7.0727 120.2184 54.9321 30.6219 176.3714 176 L 4.2611 7.0827 119.3616 54.3137 42.3266 177.3621 177 K 4.1258 8.5690 120.1433 56.9160 31.9311 176.9820 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 15 Q 8.34 4.29 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 16 E 8.65 4.33 0.00 1.95 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 2.29 2.38 0.00 17 H 8.98 4.83 0.00 2.74 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.79 4.95 0.00 2.06 2.01 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.70 1.85 7.81 19 V 9.26 5.36 2.35 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 1.24 0.00 0.00 1.34 0.00 0.00 20 I 8.85 5.19 2.05 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 1.34 1.24 1.03 0.00 0.00 21 I 9.21 5.11 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 1.01 0.00 0.00 22 V 9.85 4.82 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 0.87 0.00 0.00 1.03 0.00 0.00 23 G 8.32 4.40 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 0.00 24 L 7.78 4.39 0.00 1.72 1.62 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.26 4.32 0.00 2.78 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 26 N 8.95 4.34 0.00 2.86 2.99 0.00 0.00 7.03 7.96 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 27 A 7.61 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.44 3.87 0.00 1.82 2.01 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.56 7.81 30 T 7.79 3.85 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 31 T 7.72 3.81 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 1.16 0.00 0.00 32 I 7.90 3.29 1.61 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 0.97 0.65 -0.07 0.00 0.00 33 L 7.32 3.64 0.00 1.61 1.68 1.12 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.07 4.25 0.00 3.06 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 35 Q 8.51 3.96 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.53 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 36 F 8.04 4.55 0.00 3.22 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 37 S 7.74 4.20 0.00 3.80 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 38 M 7.45 4.26 0.00 1.93 2.26 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 39 N 7.57 4.51 0.00 2.83 2.75 0.00 0.00 6.68 7.80 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 40 E 9.02 3.89 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 2.29 2.31 0.00 41 V 7.97 3.78 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 0.67 0.00 0.00 0.97 0.00 0.00 42 V 7.34 4.30 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 0.87 0.00 0.00 0.90 0.00 0.00 43 H 8.58 4.21 0.00 3.10 3.22 0.00 5.71 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 44 T 8.65 3.84 4.25 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 1.20 0.00 0.00 *51 N 8.83 4.77 0.00 2.44 2.86 0.00 0.00 6.21 7.67 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 52 V 7.72 4.50 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 -0.47 0.00 0.00 0.67 0.00 0.00 53 E 8.81 4.65 0.00 2.08 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 2.20 2.25 0.00 54 E 8.78 4.77 0.00 1.99 1.83 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 2.30 2.48 0.00 55 I 8.97 4.58 1.94 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 1.20 0.87 0.83 0.00 0.00 56 V 8.50 4.93 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 1.07 0.00 0.00 0.95 0.00 0.00 57 I 8.86 4.98 2.05 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.55 0.97 0.00 0.00 58 N 8.99 4.12 0.00 2.86 2.18 0.00 0.00 7.05 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.28 4.79 0.00 2.68 2.81 0.00 0.00 6.77 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 60 T 8.38 4.24 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 0.56 0.00 0.00 61 R 8.27 4.93 0.00 1.69 1.82 0.00 3.09 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 62 F 9.42 5.28 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.08 4.90 0.00 1.99 1.74 0.76 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 64 M 9.10 5.35 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 65 W 9.37 5.11 0.00 3.32 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 66 D 9.27 4.99 0.00 2.73 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 67 I 8.75 3.97 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 0.96 0.00 0.00 68 G 8.66 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 *77 W 7.85 4.71 0.00 3.28 3.30 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 78 N 8.03 4.84 0.00 2.74 2.59 0.00 0.00 6.39 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 79 T 7.92 4.51 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 1.25 0.00 0.00 *80 Y 8.17 3.53 0.00 2.48 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.55 4.48 0.00 2.92 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 82 T 7.16 3.94 4.20 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 1.22 0.00 0.00 83 N 9.04 4.33 0.00 2.90 2.97 0.00 0.00 7.14 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 84 T 7.63 4.07 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 85 E 9.54 4.27 0.00 2.02 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 1.47 2.01 0.00 86 F 8.14 5.52 0.00 3.13 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 87 V 9.12 4.83 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 0.94 0.00 0.00 0.88 0.00 0.00 88 I 9.03 4.94 2.08 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 1.24 0.00 0.00 89 V 8.84 4.72 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 0.90 0.00 0.00 0.89 0.00 0.00 90 V 8.71 4.77 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 0.80 0.00 0.00 1.03 0.00 0.00 91 V 8.66 4.34 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 0.91 0.00 0.00 0.94 0.00 0.00 92 D 8.68 4.82 0.00 2.76 2.54 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 93 S 9.20 4.31 0.00 3.93 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 0.00 94 T 7.99 4.21 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 95 D 7.60 4.60 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.89 3.92 0.00 1.76 1.88 0.00 3.22 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 97 E 8.17 4.12 0.00 2.17 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 2.31 1.97 0.00 98 R 7.73 4.50 0.00 2.06 1.91 0.00 3.13 0.00 0.00 3.09 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 99 I 7.34 3.68 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.27 0.08 0.00 0.00 100 S 7.99 4.51 0.00 4.23 4.37 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.60 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 1.08 0.00 0.00 0.95 0.00 0.00 102 T 7.99 3.87 4.40 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 1.21 0.00 0.00 103 R 8.34 3.96 0.00 2.26 2.28 0.00 2.93 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 104 E 8.23 4.06 0.00 2.37 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 0.00 2.33 2.22 0.00 105 E 8.21 4.00 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 106 L 8.16 3.78 0.00 1.64 1.71 0.61 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.55 4.03 0.00 3.08 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 0.00 108 K 8.37 4.14 0.00 1.96 2.07 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.53 7.81 109 M 8.32 4.03 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.33 0.00 110 L 7.98 3.98 0.00 1.79 1.70 0.58 0.71 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 0.00 111 A 7.48 4.38 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.93 4.38 0.00 3.44 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.86 4.07 0.00 2.09 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 0.00 2.32 2.37 0.00 114 D 8.27 4.48 0.00 2.84 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.81 4.57 0.00 1.72 1.53 -0.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.97 4.06 0.00 1.81 1.99 0.00 3.21 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 117 K 7.86 4.30 0.00 1.96 1.79 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 0.98 7.81 118 A 7.67 4.25 1.25 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 0.00 0.00 119 G 8.59 4.03 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 0.00 0.00 0.00 120 L 9.47 5.34 0.00 1.80 1.82 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.26 4.74 0.00 1.77 1.49 0.46 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.47 4.76 1.80 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 1.14 0.52 0.88 0.00 0.00 123 F 9.23 5.10 0.00 2.98 2.89 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 0.00 124 A 9.02 4.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 9.38 4.88 0.00 2.84 2.78 0.00 0.00 7.09 6.54 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 0.00 126 K 8.45 4.42 0.00 2.01 1.86 0.00 2.19 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.38 7.81 127 Q 7.88 4.22 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 128 D 7.98 4.42 0.00 2.81 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 0.00 129 V 7.82 3.79 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 0.88 0.00 0.00 0.96 0.00 0.00 130 K 8.52 3.95 0.00 1.81 1.60 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.05 7.81 131 E 8.96 3.90 0.00 2.11 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 0.00 2.19 2.22 0.00 132 C 7.41 4.48 0.00 3.06 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 0.00 133 M 8.72 4.47 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.43 0.00 134 T 9.02 4.32 4.25 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 1.22 0.00 0.00 135 V 8.56 3.59 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 0.95 0.00 0.00 0.95 0.00 0.00 136 A 7.96 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.27 3.95 0.00 2.30 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 2.36 2.38 0.00 138 I 8.02 3.73 2.02 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 1.38 0.75 0.92 0.00 0.00 139 S 8.37 4.01 0.00 3.94 4.07 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 0.00 140 Q 8.37 3.94 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 141 F 8.24 4.00 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.23 4.23 0.00 1.59 1.66 0.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.93 3.83 0.00 1.91 1.76 0.00 1.42 0.00 0.00 1.44 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.40 7.81 144 L 7.57 3.35 0.00 0.85 0.13 0.59 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.77 4.50 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 1.50 0.00 0.00 146 S 7.78 4.57 0.00 4.00 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 0.00 147 I 7.59 3.98 1.92 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.42 1.11 0.00 0.00 148 K 8.81 4.55 0.00 2.02 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 0.99 7.81 149 D 8.23 4.92 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 0.00 150 H 7.94 5.03 0.00 3.23 3.30 0.00 5.70 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 0.00 151 Q 8.78 4.61 0.00 2.22 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 152 W 8.47 6.17 0.00 3.30 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 0.00 153 H 7.97 4.11 0.00 1.40 1.31 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.03 4.79 2.03 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 1.21 1.15 1.04 0.00 0.00 155 Q 8.86 4.45 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 156 A 8.76 4.75 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 C 8.93 5.14 0.00 3.03 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 0.00 158 C 8.82 4.86 0.00 2.97 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 0.00 159 A 8.70 4.13 1.18 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 0.00 0.00 0.00 160 L 7.89 4.15 0.00 1.62 1.72 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.74 4.38 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 1.20 0.00 0.00 162 G 8.27 3.90 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 0.00 0.00 0.00 163 E 7.70 4.19 0.00 2.11 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 2.33 2.13 0.00 164 G 8.92 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.86 4.19 0.00 1.91 1.99 0.73 -0.30 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 0.00 166 C 8.16 4.09 0.00 3.12 2.97 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 0.00 167 Q 8.28 4.14 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 168 G 8.22 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 0.00 169 L 8.20 3.75 0.00 1.73 1.46 0.65 -0.24 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 0.00 170 E 8.48 3.92 0.00 2.21 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 2.31 2.49 0.00 171 W 7.96 3.95 0.00 3.06 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 M 7.94 3.48 0.00 1.04 1.70 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.65 0.00 173 M 7.84 4.06 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.82 0.00 174 S 7.61 4.22 0.00 3.90 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 0.00 175 R 7.07 4.20 0.00 1.32 1.99 0.00 2.58 0.00 0.00 2.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.39 0.00 176 L 7.08 4.26 0.00 1.69 1.59 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.57 4.13 0.00 1.74 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.