NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5690 8.2227 120.3121 52.7994 41.1197 175.5483 4 I 3.4526 8.1709 117.7856 64.0414 37.4203 176.0293 5 N 4.3803 8.9937 117.8589 56.2125 38.9212 176.5010 6 E 4.2000 8.2959 119.6596 59.2395 29.6844 178.8960 7 I 3.8040 7.7258 119.8675 64.5477 37.0327 178.1422 8 R 4.2571 7.9073 114.7049 57.3579 29.8269 177.4898 9 E 4.3856 8.2436 118.4063 56.4073 30.4309 175.7756 10 Y 4.8209 8.0387 114.5919 57.2687 39.8442 175.4949 11 L 4.7751 7.7223 119.4287 52.2824 44.8998 174.6097 12 P 4.5821 0.0000 0.0000 63.5303 32.1137 176.1528 13 H 4.3272 8.1070 117.0407 56.2575 29.2679 174.4899 14 R 4.7940 8.2074 120.6964 53.8985 34.3139 173.7057 15 Y 4.4397 8.6893 119.6777 58.1976 39.0199 174.6729 16 P 4.0859 0.0000 0.0000 62.5985 31.7178 175.3923 17 F 4.3142 8.3853 116.5029 58.6438 40.4653 173.4940 18 L 4.4850 8.0756 121.1877 53.3861 41.7219 175.9300 19 L 4.6067 8.8121 129.0436 54.2198 42.2011 177.1272 20 V 4.2237 7.6000 117.8207 61.4078 33.5833 174.3751 21 D 4.5374 8.6582 127.8896 56.0165 41.6668 177.0479 22 R 4.1564 6.8974 116.1113 55.0555 32.6311 173.3885 23 V 4.3691 8.0074 124.1109 61.3724 32.1927 175.6649 24 V 3.9622 8.3792 121.5960 63.6229 32.4605 176.6920 25 E 4.5750 8.5399 120.8071 54.3054 33.0737 174.2269 26 L 4.6801 8.6144 128.5059 53.3479 43.5122 174.6204 27 D 4.6069 8.9546 126.2317 52.7712 40.6031 176.3348 28 I 3.7358 8.2477 126.4683 63.5011 38.7178 178.0954 29 E 4.0132 8.4302 119.2809 59.5244 29.3244 178.0993 30 G 3.7509 8.9722 104.6897 45.0073 0.0000 173.0879 31 K 3.8692 7.6202 119.5357 56.4882 31.0964 173.6229 32 R 5.2628 8.2011 114.5182 55.4885 33.7850 175.1078 33 I 5.1889 9.3133 119.6881 59.4606 42.4347 174.2278 34 R 5.0577 9.0709 124.7316 54.7333 33.7950 174.3438 35 A 4.9713 9.1772 125.9840 51.4254 23.3345 173.4955 36 Y 5.2457 8.3903 113.6760 56.3409 41.9685 173.6898 37 K 4.9508 9.1024 121.3814 54.7011 35.3234 174.7259 38 N 4.9020 10.2533 126.7510 53.0681 39.6277 174.7202 39 V 4.6131 8.6705 124.4228 61.6891 32.8178 174.5550 40 S 5.0742 9.5963 122.8794 56.3065 65.4984 174.6326 41 I 3.3849 8.3867 123.0766 62.7320 38.1402 175.1909 42 N 4.8089 7.3142 119.0851 54.3452 39.2215 174.2089 43 E 4.7636 7.8415 116.0058 53.2300 32.3043 175.7129 44 P 4.2854 0.0000 0.0000 65.7632 31.1036 177.5108 45 F 4.3724 7.5587 112.7675 58.5532 38.7457 177.4149 46 F 4.3898 7.2760 120.9010 60.6214 38.3398 177.1380 47 N 4.5815 8.3753 115.0013 55.3105 38.4275 176.3625 48 G 4.1630 7.4122 103.0790 44.0781 0.0000 174.1109 49 H 3.7472 7.7507 119.9296 54.6322 31.4216 171.8759 50 F 5.0503 9.5412 121.5184 54.0414 43.2562 172.9956 51 P 4.4620 0.0000 0.0000 64.5981 31.4651 176.9883 52 E 4.0114 9.4363 121.1102 57.0198 28.3279 174.6389 53 H 4.7727 8.3403 115.7094 53.2142 30.1045 168.7059 54 P 5.0535 0.0000 0.0000 61.6604 31.7026 174.9026 55 I 4.7719 8.7919 129.9127 60.0763 41.0821 175.4737 *57 P 3.7066 0.0000 0.0000 62.9187 32.1329 176.9269 58 G 3.0414 8.5145 110.9380 47.9729 0.0000 176.0816 59 V 3.7385 7.5259 113.8002 64.0717 31.5144 178.1795 60 L 3.7687 7.6889 118.3116 56.8448 41.1810 179.3219 61 I 3.7466 7.3346 119.1688 64.0047 37.2246 177.8789 62 I 3.7723 7.4737 119.9610 64.3499 37.2020 177.6883 63 E 3.7995 8.1204 119.9594 58.9634 29.3923 179.2301 64 A 3.9487 7.8342 117.4172 52.8865 18.1582 178.7929 *66 A 4.0405 7.9581 125.4062 53.6726 20.5439 180.1891 67 Q 3.7198 8.0976 114.8440 58.6715 28.6700 178.8052 68 A 3.8064 7.7800 121.7883 54.7757 18.3375 179.3745 69 A 3.5236 7.6830 118.9603 55.1904 18.3421 179.8276 70 G 3.2224 7.8519 104.2256 47.9581 0.0000 175.9119 71 I 3.5319 7.0757 121.9116 63.6391 36.8097 178.2748 72 L 3.9579 7.3368 120.2176 58.0511 42.1065 178.6029 73 G 4.0702 8.0633 104.6449 48.3634 0.0000 175.1006 74 F 4.4838 7.9316 120.6938 59.7636 38.7916 178.5677 75 K 4.1347 7.9038 115.7545 56.7115 31.4827 178.2307 *77 L 4.2956 7.6979 116.9501 53.3965 43.7640 176.4319 78 D 4.3898 7.6054 116.8809 55.1031 39.6886 173.6918 79 V 3.9225 8.0473 118.1752 61.4005 32.7153 175.0486 80 K 4.2884 8.0161 126.3629 53.3558 34.6782 173.9220 81 P 4.2562 0.0000 0.0000 63.0259 30.8826 175.7750 *85 T 4.9949 7.8707 116.2116 61.5366 69.4237 172.6744 86 L 4.8797 8.3039 120.8375 54.3483 46.1110 176.1774 87 Y 5.2116 8.5849 123.8296 56.0042 36.7273 173.5361 88 Y 4.3655 8.4863 122.8997 58.2707 40.4360 174.8642 89 F 4.9358 8.5757 128.9472 58.2131 39.0630 174.9807 90 V 3.8162 8.5819 120.0685 60.6766 32.9976 176.3568 91 G 3.6059 6.4161 105.2923 47.4371 0.0000 170.9733 92 S 5.0787 7.8119 110.5689 59.0310 64.4929 175.7254 93 D 4.5654 8.9953 125.2113 55.4518 41.9710 176.7908 94 K 4.5423 7.7822 120.5358 54.3965 35.0519 174.4683 95 L 5.1088 8.5060 128.7499 53.3792 45.2150 175.6101 96 R 4.6364 8.5557 123.4510 54.5592 35.0087 173.8027 97 F 5.2315 8.7313 120.4185 56.2406 40.9755 175.1691 98 R 4.6150 9.3590 122.8709 57.6251 31.3049 176.9118 99 Q 4.6507 7.8480 113.6594 53.5210 31.6136 172.4911 100 P 4.3953 0.0000 0.0000 62.7484 32.1426 175.6994 101 V 4.3090 8.2231 120.3325 61.5612 32.8670 175.0764 102 L 4.9341 9.0008 126.6239 51.7277 44.6326 174.0580 103 P 4.3632 0.0000 0.0000 64.5338 31.4493 177.3651 104 G 3.9704 9.2442 111.4527 45.0476 0.0000 173.2357 105 D 4.6434 7.9009 120.0365 53.7726 42.6371 175.5778 106 Q 4.5306 8.4490 123.7090 54.4141 30.0324 175.1458 107 L 4.2868 8.8472 131.0883 54.5569 42.8584 175.6738 108 Q 4.6506 9.1242 127.2733 55.6786 30.2415 175.3186 109 L 5.1811 9.4402 124.4811 53.2278 44.9065 175.0410 110 H 5.4805 9.4496 121.2612 53.9038 31.9572 173.0588 111 A 5.1897 9.0827 124.1106 50.0430 22.5954 174.4940 112 K 4.8892 9.1722 124.0298 54.1306 34.8492 175.1632 113 F 4.2962 9.4477 131.1737 59.4138 39.4080 173.8211 114 I 4.0939 6.8737 125.7890 61.4933 38.7034 175.7648 115 S 4.1563 5.9561 113.4835 57.5947 65.6104 174.9547 116 V 4.8886 8.2800 119.5060 59.0238 34.0071 175.0409 117 K 4.2117 8.2141 123.4345 56.7804 34.6653 176.2661 118 R 3.9831 9.1072 122.1348 56.8789 27.1224 176.8201 119 S 4.0164 8.1106 109.9282 58.6625 61.2310 168.3537 120 I 4.7260 7.2288 122.3588 60.2035 38.2419 174.8398 121 W 4.8808 9.3593 128.4350 55.7378 31.0989 175.9485 122 K 5.1085 8.5973 122.4418 54.7015 35.1205 175.3229 123 F 5.3274 9.6743 123.4869 55.6522 43.2002 173.7186 124 D 4.9827 9.0821 121.9209 53.2368 42.5709 174.9710 125 C 5.5533 8.9986 123.6700 58.5954 32.0631 172.9059 126 H 5.3562 9.1349 116.8669 54.4648 33.4593 172.3654 127 A 5.4446 9.3416 123.0133 50.6323 22.4932 175.1941 128 T 5.1308 8.8028 109.8618 60.3695 73.2291 172.8573 129 V 4.4849 8.2825 121.4829 61.8787 34.9519 175.1354 130 D 4.4806 9.7934 127.0046 55.5635 38.4324 174.1105 131 D 4.5204 7.9963 115.0162 54.7046 39.6081 174.3083 132 K 4.4964 7.9397 120.1312 54.0300 33.4745 174.4016 133 P 4.6589 0.0000 0.0000 63.0721 32.2728 175.4496 134 V 4.3291 8.8901 121.5984 64.3199 33.8394 174.6844 135 C 5.4987 8.0626 118.2192 58.2859 35.5586 172.4169 136 S 4.9608 7.9235 115.1719 57.4874 65.8008 173.0265 137 A 4.9369 8.3351 122.5414 52.3356 23.4698 174.7717 138 E 4.8124 8.4016 120.3577 54.7515 31.2527 174.7875 139 I 4.4652 8.5097 129.1704 60.9577 39.0756 175.2506 140 I 5.1463 8.7450 126.9809 59.8805 40.0584 174.5660 141 C 5.5950 9.6612 123.8949 58.0637 32.5894 173.0902 142 A 5.2581 8.7201 121.4523 50.3107 21.4032 176.3764 143 E 4.5386 9.1460 122.5138 57.8541 30.6115 176.6261 144 R 4.2220 9.1111 119.8543 57.0022 36.1074 175.1720 145 K 4.5939 8.0466 119.8308 57.0900 33.2183 173.9758 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 3 D 8.22 4.57 0.00 2.90 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 4 I 8.17 3.45 1.84 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 1.63 1.19 0.90 0.00 0.00 5 N 8.99 4.38 0.00 2.94 2.87 0.00 0.00 7.10 7.30 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 6 E 8.30 4.20 0.00 2.20 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 2.45 2.42 0.00 7 I 7.73 3.80 2.03 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 1.47 0.81 0.87 0.00 0.00 8 R 7.91 4.26 0.00 1.93 1.97 0.00 3.16 0.00 0.00 3.36 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 9 E 8.24 4.39 0.00 2.06 1.49 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 2.14 2.39 0.00 10 Y 8.04 4.82 0.00 2.93 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 11 L 7.72 4.78 0.00 1.58 1.57 0.82 0.78 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 12 P 0.00 4.58 0.00 2.18 2.20 0.00 3.83 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 1.88 2.03 0.00 13 H 8.11 4.33 0.00 3.14 3.52 0.00 5.84 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 14 R 8.21 4.79 0.00 1.83 1.86 0.00 3.36 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 15 Y 8.69 4.44 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 16 P 0.00 4.09 0.00 1.82 0.89 0.00 3.71 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 1.90 1.75 0.00 17 F 8.39 4.31 0.00 2.84 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 18 L 8.08 4.49 0.00 1.68 1.63 0.89 1.00 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 19 L 8.81 4.61 0.00 1.39 1.44 0.35 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.60 4.22 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 0.70 0.00 0.00 0.85 0.00 0.00 21 D 8.66 4.54 0.00 2.74 2.65 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 22 R 6.90 4.16 0.00 1.41 0.66 0.00 3.20 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 23 V 8.01 4.37 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 0.87 0.00 0.00 0.82 0.00 0.00 24 V 8.38 3.96 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 0.90 0.00 0.00 1.01 0.00 0.00 25 E 8.54 4.58 0.00 2.02 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 2.24 0.00 26 L 8.61 4.68 0.00 1.57 1.50 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.95 4.61 0.00 3.09 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 28 I 8.25 3.74 1.87 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 1.41 1.06 0.92 0.00 0.00 29 E 8.43 4.01 0.00 2.28 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 2.33 2.27 0.00 30 G 8.97 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 0.00 0.00 0.00 31 K 7.62 3.87 0.00 2.16 2.05 0.00 1.34 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.30 7.81 32 R 8.20 5.26 0.00 2.14 2.08 0.00 2.82 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 33 I 9.31 5.19 1.87 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 1.18 1.57 1.00 0.00 0.00 34 R 9.07 5.06 0.00 1.75 1.77 0.00 3.20 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 35 A 9.18 4.97 1.10 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 0.00 0.00 36 Y 8.39 5.25 0.00 3.03 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 37 K 9.10 4.95 0.00 1.88 1.69 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.61 7.81 38 N 10.25 4.90 0.00 2.84 2.83 0.00 0.00 6.92 5.12 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 39 V 8.67 4.61 2.31 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 1.11 0.00 0.00 1.10 0.00 0.00 40 S 9.60 5.07 0.00 3.91 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 41 I 8.39 3.38 1.64 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.83 0.00 0.00 42 N 7.31 4.81 0.00 2.82 2.78 0.00 0.00 6.99 7.53 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 43 E 7.84 4.76 0.00 1.32 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 2.31 2.44 0.00 44 P 0.00 4.29 0.00 2.16 2.28 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 45 F 7.56 4.37 0.00 2.99 3.14 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 46 F 7.28 4.39 0.00 3.05 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 47 N 8.38 4.58 0.00 2.69 2.92 0.00 0.00 6.73 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 48 G 7.41 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.75 3.75 0.00 2.83 3.06 0.00 5.53 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 50 F 9.54 5.05 0.00 3.25 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 51 P 0.00 4.46 0.00 2.11 2.06 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 52 E 9.44 4.01 0.00 1.84 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 2.18 2.25 0.00 53 H 8.34 4.77 0.00 3.22 3.25 0.00 5.61 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 54 P 0.00 5.05 0.00 1.41 1.85 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 55 I 8.79 4.77 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 1.07 0.00 0.00 *57 P 0.00 3.71 0.00 1.59 1.59 0.00 2.54 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.20 0.00 58 G 8.51 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 0.00 0.00 0.00 59 V 7.53 3.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.80 0.00 0.00 60 L 7.69 3.77 0.00 1.26 1.16 -0.21 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.33 3.75 2.22 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 1.62 0.55 0.99 0.00 0.00 62 I 7.47 3.77 2.04 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 1.43 0.87 0.67 0.00 0.00 63 E 8.12 3.80 0.00 1.89 1.81 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 1.95 2.15 0.00 64 A 7.83 3.95 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 *66 A 7.96 4.04 1.02 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 0.00 0.00 67 Q 8.10 3.72 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 1.95 2.27 0.00 68 A 7.78 3.81 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 69 A 7.68 3.52 0.33 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 70 G 7.85 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 0.00 0.00 0.00 71 I 7.08 3.53 1.82 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 1.27 0.85 0.71 0.00 0.00 72 L 7.34 3.96 0.00 1.65 1.96 0.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.06 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 0.00 0.00 0.00 74 F 7.93 4.48 0.00 2.94 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 75 K 7.90 4.13 0.00 1.91 1.71 0.00 1.48 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.03 1.35 7.81 *77 L 7.70 4.30 0.00 1.82 1.88 1.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.61 4.39 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 79 V 8.05 3.92 1.11 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 0.84 0.00 0.00 80 K 8.02 4.29 0.00 1.65 1.60 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.59 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.23 7.81 81 P 0.00 4.26 0.00 2.14 2.08 0.00 3.67 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 1.92 1.88 0.00 *85 T 7.87 4.99 4.56 0.00 0.00 0.00 0.00 0.00 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 86 L 8.30 4.88 0.00 1.82 1.62 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.58 5.21 0.00 2.63 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 88 Y 8.49 4.37 0.00 3.12 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 89 F 8.58 4.94 0.00 2.87 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 90 V 8.58 3.82 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 0.95 0.00 0.00 91 G 6.42 3.61 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 0.00 0.00 0.00 92 S 7.81 5.08 0.00 3.94 3.72 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 93 D 9.00 4.57 0.00 2.66 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 94 K 7.78 4.54 0.00 1.76 1.59 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 95 L 8.51 5.11 0.00 1.55 1.42 0.55 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.56 4.64 0.00 1.70 1.66 0.00 3.11 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 97 F 8.73 5.23 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 98 R 9.36 4.61 0.00 1.86 2.01 0.00 3.33 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 99 Q 7.85 4.65 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 100 P 0.00 4.40 0.00 2.26 2.13 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 101 V 8.22 4.31 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 0.97 0.00 0.00 0.99 0.00 0.00 102 L 9.00 4.93 0.00 1.70 1.54 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.36 0.00 1.83 1.65 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.00 104 G 9.24 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.90 4.64 0.00 2.87 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 0.00 106 Q 8.45 4.53 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.16 0.00 0.00 0.00 0.00 0.00 1.93 2.17 0.00 107 L 8.85 4.29 0.00 1.86 1.77 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 9.12 4.65 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 109 L 9.44 5.18 0.00 1.47 1.49 0.86 0.45 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 0.00 110 H 9.45 5.48 0.00 3.17 3.21 0.00 5.56 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 0.00 111 A 9.08 5.19 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 0.00 112 K 9.17 4.89 0.00 1.91 1.76 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 113 F 9.45 4.30 0.00 3.29 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 0.00 114 I 6.87 4.09 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.69 0.00 0.00 115 S 5.96 4.16 0.00 3.60 3.61 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 0.00 116 V 8.28 4.89 0.71 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 0.59 0.00 0.00 0.02 0.00 0.00 117 K 8.21 4.21 0.00 1.83 1.81 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.39 7.81 118 R 9.11 3.98 0.00 1.99 2.12 0.00 3.25 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 119 S 8.11 4.02 0.00 4.32 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 0.00 120 I 7.23 4.73 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.36 0.93 0.00 0.00 121 W 9.36 4.88 0.00 3.29 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.60 5.11 0.00 1.41 1.56 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.26 7.81 123 F 9.67 5.33 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.08 4.98 0.00 2.78 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 0.00 125 C 9.00 5.55 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 0.00 126 H 9.13 5.36 0.00 3.12 3.16 0.00 5.75 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 0.00 127 A 9.34 5.44 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 0.00 128 T 8.80 5.13 4.38 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 1.26 0.00 0.00 129 V 8.28 4.48 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 1.13 0.00 0.00 0.97 0.00 0.00 130 D 9.79 4.48 0.00 2.83 2.70 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 0.00 131 D 8.00 4.52 0.00 2.82 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 0.00 132 K 7.94 4.50 0.00 1.90 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.56 7.81 133 P 0.00 4.66 0.00 2.20 2.08 0.00 3.74 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 2.01 1.97 0.00 134 V 8.89 4.33 2.27 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 0.90 0.00 0.00 1.01 0.00 0.00 135 C 8.06 5.50 0.00 3.15 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 0.00 136 S 7.92 4.96 0.00 3.66 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 0.00 137 A 8.34 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.40 4.81 0.00 2.04 1.85 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 2.30 2.49 0.00 139 I 8.51 4.47 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 1.18 0.00 0.00 140 I 8.75 5.15 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.08 0.99 0.00 0.00 141 C 9.66 5.60 0.00 2.92 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 0.00 142 A 8.72 5.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 9.15 4.54 0.00 2.05 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 2.76 2.53 0.00 144 R 9.11 4.22 0.00 1.69 1.77 0.00 2.82 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 145 K 8.05 4.59 0.00 1.85 2.06 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.