NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.8572 8.1449 121.6877 57.7789 39.8923 173.5941 3 R 3.0479 7.5200 117.4730 54.1604 27.5354 174.7907 4 P 4.4015 0.0000 0.0000 62.0092 33.0267 175.0369 5 K 3.8416 8.4622 120.4415 58.5092 32.3374 176.0189 6 D 4.5737 9.0066 123.1562 55.5145 38.0266 172.9203 7 H 4.8947 8.2728 116.4447 54.1866 30.8266 174.0105 8 G 4.2666 8.7536 110.8051 44.9977 0.0000 171.5583 9 W 5.1093 7.4870 115.8325 55.8324 31.7260 172.9271 10 V 5.0296 9.2000 119.7514 60.9515 33.9547 173.8845 11 E 5.5400 9.5234 125.6536 54.7300 32.7001 175.1378 12 V 5.0365 9.2498 115.5943 59.6535 35.7588 174.6358 13 I 4.9652 8.9819 125.0397 59.7968 39.8714 175.0954 14 V 5.2975 8.8849 119.7031 57.9308 36.2068 175.3073 15 G 3.9655 8.2523 109.4821 46.5393 0.0000 170.5056 16 P 4.3514 0.0000 0.0000 64.9774 30.9344 176.9285 *18 Y 4.7052 8.2155 114.9144 56.7568 40.2061 176.4059 19 S 4.2517 8.0185 115.7212 59.7295 63.6426 175.1867 20 G 4.1913 8.3813 110.2455 45.6683 0.0000 175.7353 21 K 3.9648 8.4110 121.1049 59.3548 31.9969 179.1970 22 S 4.0980 7.9629 114.8800 61.4289 62.8505 176.0705 23 E 3.9141 8.1450 121.5503 59.3667 29.4342 178.4224 24 E 3.9365 8.2907 119.2554 59.0649 29.7411 178.3720 25 L 3.9586 8.2368 120.7777 58.3584 42.1109 179.0606 26 I 3.7154 8.1605 120.1123 64.2434 37.0885 178.3336 27 R 3.8696 7.9595 119.5767 59.6809 29.9290 178.8959 28 R 4.0266 8.1750 117.6399 58.9007 30.0871 179.2027 29 I 3.6864 7.7203 119.9570 64.5265 37.1655 178.7015 30 R 3.9780 8.1822 118.9415 59.1454 29.7949 179.4306 31 R 3.9237 8.0078 117.7047 59.0203 30.0709 178.7766 32 A 4.0071 7.9983 120.6615 55.2118 18.3596 179.8721 33 K 3.9539 7.9883 116.7293 59.6839 31.8772 179.7288 34 I 3.7681 7.5453 118.9876 63.8453 37.0959 177.4892 35 A 4.2053 7.8783 119.2526 51.6988 18.5247 177.1705 36 K 3.8381 7.9079 115.6692 57.5419 29.9853 175.4305 37 Q 4.6084 7.8497 117.7462 53.7038 30.4214 176.0980 38 K 4.0517 8.6501 126.0837 56.7405 33.2741 175.2354 39 I 5.1786 8.2306 126.2961 59.3503 41.6165 173.8961 40 Q 4.5043 8.8802 126.2321 53.9591 31.9558 174.5271 41 V 4.6955 7.7998 122.7299 61.0947 34.3592 174.1926 42 F 5.6627 9.5373 125.6125 55.7584 43.1428 174.0028 43 K 5.2531 8.8160 120.6200 54.7815 36.3119 173.9089 44 P 5.5112 0.0000 0.0000 61.5183 32.8655 174.7730 45 E 3.7814 8.6745 119.4090 56.6383 29.6525 177.5311 *53 E 4.2246 8.4516 127.0000 56.1695 31.1151 175.3787 54 D 4.9229 8.1932 117.9219 53.2094 43.2247 176.9831 55 V 4.0998 8.5836 116.0871 60.7487 32.7879 175.6488 56 V 4.9171 8.3834 118.4835 59.5141 34.6266 175.0368 57 S 4.7384 8.4376 118.2550 56.5588 64.1187 175.5634 58 H 4.3241 8.6525 126.5048 55.4970 27.4779 177.0892 *60 G 3.9409 7.7933 108.1501 45.4640 0.0000 173.8541 61 E 4.1611 7.6889 119.4059 56.1740 30.2858 176.0782 62 K 5.1775 7.9460 117.8271 56.1152 35.5972 174.8969 63 E 4.7803 8.9706 119.9923 54.3952 33.9954 175.2124 64 Q 4.4083 8.7026 121.7868 56.4750 29.4196 175.4333 65 A 4.5661 8.2179 123.1854 50.7682 23.1902 175.6429 66 V 4.2683 8.3354 119.5890 60.9034 33.0601 175.0614 67 A 4.7202 8.7309 131.3172 52.0260 19.1164 176.5774 68 I 4.8126 9.1358 114.8941 59.1723 40.7720 176.9004 69 K 4.0941 8.8557 123.3862 59.1524 32.1784 176.3248 70 N 5.0815 7.7569 113.5878 51.7996 40.2647 174.4686 71 S 4.0982 9.0190 113.6132 61.9027 63.1387 177.1375 72 R 3.8845 8.2607 118.8339 59.5266 29.7347 178.6019 73 E 4.0559 8.3659 117.2731 58.7274 29.3342 179.4387 74 I 3.0370 7.5744 120.5051 64.2813 36.9393 178.3545 75 L 4.0204 7.3156 117.7756 57.3435 41.3882 179.2531 76 K 4.0534 7.7486 118.8321 59.3361 32.3878 177.6793 77 Y 4.5355 7.9340 114.4855 57.7995 38.4765 175.7823 78 F 4.5913 7.8170 123.4265 58.2444 40.1094 173.8393 79 E 4.4357 8.2116 127.2679 54.1456 31.1855 176.9365 80 E 3.7244 8.6112 123.8165 58.8489 29.7886 177.9736 81 D 4.3759 7.7322 117.7176 56.7275 41.6191 176.6608 82 T 4.0671 7.6088 109.4484 61.6136 69.6132 173.9313 83 E 4.4533 9.0368 123.4485 57.1126 31.8422 176.1184 84 V 4.8514 7.6315 118.7563 60.9213 35.1805 174.2208 85 I 5.0510 8.7950 128.2331 59.4739 39.8990 174.2103 86 A 5.2369 9.1639 129.1597 50.1184 21.9055 174.9386 87 I 5.0135 9.0732 123.1686 59.6361 40.5811 174.8071 88 D 4.9795 9.2400 127.0443 52.0070 43.6925 175.0967 89 E 3.8287 8.5892 117.6132 57.0326 27.3894 177.4901 90 V 4.0360 8.0751 119.8357 65.8869 32.0133 177.5024 91 Q 3.7905 7.6847 116.4771 58.0827 28.1374 177.1678 92 F 4.6490 7.2107 116.0184 58.6649 39.5509 176.3343 93 F 4.4051 7.8031 119.3425 56.6649 39.5105 174.8289 94 D 4.7459 8.0884 121.2377 52.8869 40.3464 177.0998 95 D 4.5451 8.5735 118.3553 56.7216 40.6208 178.5472 96 E 4.0607 8.8186 119.8178 58.8165 29.3408 178.6886 97 I 3.6043 7.6212 118.6018 63.6355 37.7610 178.0884 98 V 3.4968 7.6199 119.0352 66.0105 31.3942 177.6272 99 E 3.8757 8.0527 118.5426 59.1820 29.5675 178.5202 100 I 3.5594 7.6882 119.9007 64.4193 37.1679 178.6143 101 V 3.4599 8.0444 119.4013 65.9022 31.2554 177.5556 102 N 4.2824 8.3417 117.0323 56.5717 38.7505 177.0148 103 K 3.9066 8.3585 120.3590 59.4793 31.9862 179.4242 104 I 3.5152 7.5935 119.8096 64.1480 36.9475 178.3883 105 A 4.4768 7.8560 123.0416 54.7151 18.0143 179.3629 106 E 3.9508 8.2865 117.2446 58.9842 29.7850 178.4657 107 S 4.3982 7.7028 112.5685 59.2174 63.2137 174.8188 108 G 3.9937 8.1330 111.2573 45.3836 0.0000 173.0307 109 R 4.6081 7.6684 117.9724 53.9276 34.1406 174.4741 110 R 3.8990 8.0692 120.6200 54.5827 31.9775 174.9891 111 V 4.6955 8.0180 125.6026 61.0748 34.7010 173.9514 112 I 4.9209 8.9303 129.0793 59.9253 39.5401 174.2278 113 C 5.3649 9.2183 125.3114 57.8064 31.1493 173.0569 114 A 5.1832 8.8813 124.0338 49.8162 22.2514 175.3733 115 G 4.1509 8.3726 108.5356 45.6587 0.0000 172.7361 116 L 4.6145 8.6575 120.8166 54.4060 42.1172 177.5411 117 D 4.4982 8.6026 120.8347 54.0789 40.2968 175.4967 *119 D 4.3645 7.5987 119.6823 52.9133 40.2869 175.7132 120 F 4.8214 8.7804 112.1939 59.2566 37.7542 176.2060 121 R 3.7779 7.1730 118.4296 56.4845 30.2211 177.1436 122 G 3.9052 8.3885 106.6009 45.4416 0.0000 173.3298 123 K 4.4478 7.9605 118.3778 53.5351 33.5156 174.9071 124 P 4.2788 0.0000 0.0000 63.3698 31.5039 175.4380 125 F 4.9199 9.4457 126.4643 57.5882 40.8633 175.3867 126 G 3.9918 8.9232 119.0965 46.4223 0.0000 173.5337 127 P 4.4272 0.0000 0.0000 64.9520 31.8803 178.4193 128 I 3.6424 7.1882 119.8634 64.1128 37.0181 175.6362 129 P 4.4327 0.0000 0.0000 65.9005 31.4472 178.2035 130 E 4.1978 8.1301 116.6424 59.0727 29.4443 179.9762 131 L 4.3595 8.0536 118.1372 54.8563 41.4518 179.0207 *133 A 4.2962 8.0289 123.9751 51.7999 20.3348 178.6631 134 I 4.0842 7.4605 106.7514 61.6366 38.5627 176.3324 135 A 4.2637 7.6896 124.5118 52.0626 18.7713 177.3716 136 E 4.0518 8.7130 121.2637 58.3558 30.4842 177.6057 137 F 5.0335 8.1521 117.6720 55.4886 42.7354 174.4727 138 V 4.8639 8.6870 122.4941 61.2912 34.2732 174.1311 139 D 4.9031 9.3631 128.5839 52.5360 43.3759 175.0580 140 K 4.9578 8.7421 126.2353 55.0110 32.7721 175.5395 141 I 4.6488 8.9088 121.6452 59.3701 40.5800 174.5794 142 Q 4.8494 8.6390 121.2204 54.5888 31.8158 175.2673 143 A 4.8767 8.6349 123.6795 50.7386 22.5439 175.0158 144 I 4.7559 8.0753 115.8421 59.5212 39.8574 175.6038 145 C 4.4874 9.1123 128.3042 59.5283 31.9347 174.6964 146 V 3.8260 8.4180 119.4996 63.0087 31.5394 177.2893 147 V 4.0298 7.7927 119.3684 64.3085 31.9926 176.0206 148 C 4.6980 8.0597 109.5621 57.1082 30.7386 174.6034 149 G 3.9383 8.3812 109.2503 45.3842 0.0000 173.4312 150 N 4.7494 7.6965 116.8379 51.8057 40.4694 172.5321 151 P 4.7788 0.0000 0.0000 63.1663 32.0017 176.0287 152 A 4.8600 9.6248 127.6365 50.9731 20.6101 177.3182 153 T 4.6779 8.6686 109.5902 61.1194 70.4930 173.7646 154 R 4.7227 8.6679 121.5331 54.8871 34.6944 174.2339 155 T 4.8673 8.3749 118.0569 62.2426 70.7921 173.2110 156 Q 4.8921 9.7022 129.1990 54.8519 30.9059 174.0424 157 R 4.9208 8.8646 126.7497 54.9758 32.3302 174.6565 158 L 5.0566 8.8887 125.4297 52.9518 46.0325 175.4850 159 I 4.5239 8.7020 123.1552 60.0549 40.3032 175.6529 160 N 4.1807 9.8229 122.8940 54.0832 35.8854 175.2313 161 G 3.9602 8.5598 104.7098 45.2134 0.0000 173.7962 162 K 4.6744 7.7965 118.8106 53.0081 35.3175 173.9614 163 P 4.6100 0.0000 0.0000 63.1242 31.5173 176.1389 164 A 4.4313 8.0290 124.3799 51.8357 19.1167 177.1898 165 F 4.4500 9.0323 118.3236 57.3664 39.8539 175.3198 166 Y 4.1820 9.0194 122.1351 60.5665 38.5270 178.2997 167 D 4.4985 8.1169 117.9037 54.5321 41.0276 176.5216 168 D 4.8138 7.9263 119.0559 51.8121 42.3510 174.4285 169 P 4.6189 0.0000 0.0000 62.2856 32.1727 175.4424 170 V 4.2648 8.0017 111.3474 60.0250 34.1835 174.8632 *177 E 4.2078 8.5926 124.0265 56.1362 30.4942 174.5567 178 S 4.7626 8.6234 119.6245 56.9977 67.2887 172.0960 179 Y 5.6105 8.3456 116.4307 56.6612 41.5995 174.8077 180 E 4.9515 9.1652 117.9480 55.4349 33.6687 174.0247 181 A 4.9801 8.5665 123.1846 51.8716 20.3809 176.6306 182 R 5.0786 9.3064 120.0120 54.5660 35.6056 174.8348 183 C 4.6865 8.4690 115.8059 57.0084 31.3837 174.5751 184 R 3.9102 8.5265 119.1328 59.3727 29.4935 177.8060 185 K 4.0835 7.9170 117.9033 59.8777 32.4688 178.1791 186 C 4.3794 7.9799 114.4045 60.8749 28.4483 173.5742 187 H 4.4100 7.8874 121.2553 56.0572 29.7679 174.3795 188 V 4.2110 9.2315 126.9156 60.9861 33.2646 175.0231 189 V 4.3709 8.0053 126.8065 60.0531 32.9298 172.3636 190 P 4.3068 0.0000 0.0000 62.2725 32.7370 176.2666 191 Q 4.4073 8.3839 123.0085 56.3524 29.0174 174.7263 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 Y 8.14 4.86 0.00 2.74 2.88 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 3 R 7.52 3.05 0.00 1.78 1.44 0.00 3.01 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 4 P 0.00 4.40 0.00 2.11 2.12 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 5 K 8.46 3.84 0.00 1.78 1.82 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.54 7.81 6 D 9.01 4.57 0.00 2.96 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 7 H 8.27 4.89 0.00 3.28 3.36 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.75 4.27 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 0.00 0.00 0.00 9 W 7.49 5.11 0.00 3.55 3.31 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 10 V 9.20 5.03 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 1.02 0.00 0.00 0.91 0.00 0.00 11 E 9.52 5.54 0.00 2.27 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 2.50 2.36 0.00 12 V 9.25 5.04 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 1.04 0.00 0.00 13 I 8.98 4.97 1.89 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 1.26 1.11 0.93 0.00 0.00 14 V 8.88 5.30 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 1.12 0.00 0.00 0.95 0.00 0.00 15 G 8.25 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 16 P 0.00 4.35 0.00 2.29 2.25 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 *18 Y 8.22 4.71 0.00 3.05 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 19 S 8.02 4.25 0.00 4.18 4.09 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 0.00 0.00 0.00 0.00 20 G 8.38 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 0.00 0.00 0.00 0.00 21 K 8.41 3.96 0.00 1.79 1.86 0.00 1.91 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.53 7.81 22 S 7.96 4.10 0.00 3.84 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 23 E 8.15 3.91 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 24 E 8.29 3.94 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 25 L 8.24 3.96 0.00 1.92 1.81 0.93 1.14 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 26 I 8.16 3.72 2.06 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 1.39 0.55 0.90 0.00 0.00 27 R 7.96 3.87 0.00 1.89 2.14 0.00 3.09 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 28 R 8.18 4.03 0.00 2.03 1.97 0.00 3.20 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 29 I 7.72 3.69 2.02 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 1.49 1.23 0.87 0.00 0.00 30 R 8.18 3.98 0.00 1.84 1.97 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 31 R 8.01 3.92 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 32 A 8.00 4.01 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 33 K 7.99 3.95 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.64 7.81 34 I 7.55 3.77 2.01 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 1.45 0.59 0.91 0.00 0.00 35 A 7.88 4.21 1.38 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 0.00 0.00 36 K 7.91 3.84 0.00 1.93 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.56 7.81 37 Q 7.85 4.61 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 38 K 8.65 4.05 0.00 1.80 1.64 0.00 1.60 0.00 0.00 1.91 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.39 7.81 39 I 8.23 5.18 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.86 0.00 0.00 40 Q 8.88 4.50 0.00 2.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 41 V 7.80 4.70 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 1.07 0.00 0.00 0.85 0.00 0.00 42 F 9.54 5.66 0.00 2.91 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 43 K 8.82 5.25 0.00 1.79 1.92 0.00 1.31 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.44 7.81 44 P 0.00 5.51 0.00 1.82 1.36 0.00 3.49 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 45 E 8.67 3.78 0.00 1.79 1.96 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 2.33 2.30 0.00 *53 E 8.45 4.22 0.00 1.99 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 2.28 2.34 0.00 54 D 8.19 4.92 0.00 2.52 2.56 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 0.00 55 V 8.58 4.10 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 0.78 0.00 0.00 0.98 0.00 0.00 56 V 8.38 4.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 66 V 8.34 4.27 1.69 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 0.30 0.00 0.00 0.65 0.00 0.00 67 A 8.73 4.72 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 68 I 9.14 4.81 2.05 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 1.65 1.14 1.10 0.00 0.00 69 K 8.86 4.09 0.00 1.87 1.94 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.44 7.81 70 N 7.76 5.08 0.00 2.85 2.84 0.00 0.00 6.05 7.64 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 71 S 9.02 4.10 0.00 3.92 3.87 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 72 R 8.26 3.88 0.00 2.02 1.97 0.00 3.27 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 1.83 1.68 0.00 73 E 8.37 4.06 0.00 2.30 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 2.34 2.62 0.00 74 I 7.57 3.04 1.65 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 83 E 9.04 4.45 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 2.24 2.38 0.00 84 V 7.63 4.85 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 1.00 0.00 0.00 0.87 0.00 0.00 85 I 8.80 5.05 1.90 0.00 0.00 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 1.33 0.93 1.11 0.00 0.00 86 A 9.16 5.24 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 87 I 9.07 5.01 1.86 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 1.20 0.93 0.86 0.00 0.00 88 D 9.24 4.98 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.59 3.83 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 2.32 2.29 0.00 90 V 8.08 4.04 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 1.02 0.00 0.00 1.04 0.00 0.00 91 Q 7.68 3.79 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 92 F 7.21 4.65 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 93 F 7.80 4.41 0.00 3.09 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 94 D 8.09 4.75 0.00 2.93 2.88 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 95 D 8.57 4.55 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.82 4.06 0.00 2.11 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 2.33 2.41 0.00 97 I 7.62 3.60 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 1.00 0.00 0.00 98 V 7.62 3.50 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 1.00 0.00 0.00 0.95 0.00 0.00 99 E 8.05 3.88 0.00 2.04 1.89 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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 1.23 0.85 0.91 0.00 0.00 135 A 7.69 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.05 0.00 1.74 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 2.29 2.25 0.00 137 F 8.15 5.03 0.00 3.09 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 0.00 138 V 8.69 4.86 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 0.86 0.00 0.00 0.98 0.00 0.00 139 D 9.36 4.90 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.74 4.96 0.00 1.78 1.74 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.58 7.81 141 I 8.91 4.65 1.89 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 1.39 0.79 0.93 0.00 0.00 142 Q 8.64 4.85 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 143 A 8.63 4.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.08 4.76 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 1.25 0.98 0.91 0.00 0.00 145 C 9.11 4.49 0.00 3.03 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 0.00 146 V 8.42 3.83 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 0.61 0.00 0.00 0.97 0.00 0.00 147 V 7.79 4.03 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 0.84 0.00 0.00 0.94 0.00 0.00 148 C 8.06 4.70 0.00 3.07 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 0.00 149 G 8.38 3.94 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 0.00 0.00 0.00 150 N 7.70 4.75 0.00 2.71 2.77 0.00 0.00 7.15 8.03 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 0.00 151 P 0.00 4.78 0.00 1.95 2.22 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 152 A 9.62 4.86 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 0.00 153 T 8.67 4.68 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 1.23 0.00 0.00 154 R 8.67 4.72 0.00 1.61 1.37 0.00 3.16 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 155 T 8.37 4.87 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 1.36 0.00 0.00 156 Q 9.70 4.89 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 157 R 8.86 4.92 0.00 2.10 1.77 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.00 158 L 8.89 5.06 0.00 1.44 1.43 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.70 4.52 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.88 0.00 0.00 160 N 9.82 4.18 0.00 2.88 2.91 0.00 0.00 7.31 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 0.00 161 G 8.56 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 0.00 162 K 7.80 4.67 0.00 1.81 1.68 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.33 7.81 163 P 0.00 4.61 0.00 2.17 2.05 0.00 3.74 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 1.90 1.92 0.00 164 A 8.03 4.43 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 9.03 4.45 0.00 2.96 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 0.00 166 Y 9.02 4.18 0.00 2.94 3.09 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 0.00 0.00 0.00 0.00 167 D 8.12 4.50 0.00 2.79 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 0.00 168 D 7.93 4.81 0.00 2.88 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 0.00 169 P 0.00 4.62 0.00 2.09 2.04 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 170 V 8.00 4.26 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 0.77 0.00 0.00 0.96 0.00 0.00 *177 E 8.59 4.21 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.14 0.00 178 S 8.62 4.76 0.00 3.82 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 0.00 179 Y 8.35 5.61 0.00 2.99 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 0.00 180 E 9.17 4.95 0.00 2.00 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 2.27 2.31 0.00 181 A 8.57 4.98 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 0.00 182 R 9.31 5.08 0.00 1.74 1.82 0.00 3.34 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 183 C 8.47 4.69 0.00 3.12 3.20 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 0.00 184 R 8.53 3.91 0.00 1.84 2.02 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 185 K 7.92 4.08 0.00 1.80 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.54 7.81 186 C 7.98 4.38 0.00 3.01 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 0.00 187 H 7.89 4.41 0.00 3.26 3.26 0.00 5.89 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 0.00 188 V 9.23 4.21 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 0.75 0.00 0.00 0.98 0.00 0.00 189 V 8.01 4.37 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 0.95 0.00 0.00 0.80 0.00 0.00 190 P 0.00 4.31 0.00 1.20 1.76 0.00 3.74 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.31 0.00 191 Q 8.38 4.41 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.