NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3152 8.1749 117.3713 63.4140 70.7175 174.4093 4 I 3.9124 7.6765 121.8647 60.8830 37.7770 174.3132 5 R 4.5888 9.5891 126.6987 54.3591 33.4230 174.8416 6 R 4.8967 8.1766 121.1854 54.5875 32.8882 174.6150 7 Y 4.6180 9.0073 121.4615 56.2464 41.8106 174.8157 8 D 4.6022 8.4178 119.3275 55.2715 39.3225 173.4010 9 V 4.1803 7.4535 118.3958 62.1467 33.2426 174.5401 10 N 4.7480 8.7078 126.0938 51.5415 39.0753 174.4983 11 E 3.9717 8.6062 127.8521 59.1145 30.2745 178.5753 12 D 4.3860 8.2934 117.5413 57.3722 40.8737 177.7387 13 R 4.1326 8.0971 115.4547 55.8792 30.8449 176.3823 14 G 3.9854 7.5164 106.4916 46.6815 0.0000 172.2388 15 H 5.1280 7.9266 111.9885 54.0234 33.1549 173.0194 16 T 4.7481 8.4314 115.2927 61.7626 70.1703 174.9620 17 G 3.7635 9.0991 114.3318 48.8523 0.0000 173.4783 18 L 5.2796 8.4958 122.8670 53.4333 46.0185 174.9704 19 V 4.9198 9.1309 126.6368 61.2232 34.1576 173.6372 20 E 4.6372 9.4827 129.4959 54.8440 31.4770 174.4978 21 A 4.6959 9.0979 129.2323 49.4159 21.3038 177.1191 22 G 3.6889 8.6701 113.6873 48.0811 0.0000 173.6441 23 D 4.6605 8.7631 125.2888 53.6423 41.2432 175.1195 24 F 5.3245 8.1396 118.9363 55.9383 42.0580 174.3407 25 Y 5.1551 8.9745 118.9595 56.5183 41.7223 173.9028 26 Y 5.0686 9.5641 122.2021 56.2416 40.5401 174.7587 27 L 4.8958 8.7518 125.3727 53.5212 42.7821 176.5888 28 N 4.6480 8.8392 123.1022 53.2148 39.8844 173.8481 29 Y 4.4823 8.5472 120.0355 58.1202 38.5772 175.5034 30 C 5.2210 9.6948 119.6045 57.2588 31.5272 173.3361 31 V 4.7007 8.3374 120.7319 60.6966 34.2199 173.8965 32 G 3.9314 8.9034 109.5816 45.5038 0.0000 172.2158 33 N 4.0894 8.4787 113.6775 54.0295 36.1549 175.0514 34 V 3.7458 7.4835 115.4246 63.8264 32.8010 175.7498 35 G 4.1340 8.8834 113.0193 45.3207 0.0000 173.7030 36 Q 4.4921 7.2100 118.4523 54.3821 30.3704 175.1627 37 D 4.6656 8.1936 119.2076 52.9517 41.5461 176.9181 38 I 3.6258 8.2059 118.8272 64.2537 37.8528 177.1872 39 E 3.8480 8.1040 119.5392 59.4697 29.5632 178.7731 40 S 4.1066 8.3535 115.1447 61.7804 62.7753 176.7917 41 Q 4.4767 8.0053 122.0742 58.2123 28.4025 178.7737 42 I 2.8999 7.4614 121.0012 64.1629 36.9597 178.2106 43 N 4.5338 8.2588 117.5566 56.2655 38.3714 177.7804 44 G 3.5669 8.5793 107.3398 47.6130 0.0000 175.6664 45 A 4.0589 8.0557 122.5754 55.1150 18.5212 179.5094 46 F 4.7971 7.9880 115.1978 60.8105 39.2218 177.3093 47 D 4.6061 8.6106 119.0895 57.1623 40.3647 178.8625 48 E 4.2806 8.2066 118.1875 56.6697 29.6619 178.2973 *50 E 4.1941 8.1776 118.6895 55.8862 31.6707 178.1492 51 R 3.8644 8.1378 117.3925 59.5549 30.3925 178.5827 52 R 4.0369 7.9462 117.6497 59.3307 30.1030 178.9093 53 L 3.8298 7.9390 118.0289 57.8397 41.5818 179.3603 54 A 3.8864 8.0948 120.5089 54.8698 17.9985 179.3038 55 L 3.9058 7.3713 116.5420 57.2458 41.6211 178.7101 56 V 4.0286 7.0875 109.1348 60.6264 31.9885 175.7340 57 G 3.7466 7.8315 106.4141 46.4594 0.0000 174.2240 58 L 4.4343 7.5336 119.4611 52.8562 43.8950 174.9956 59 T 4.6220 7.5439 108.4405 59.7875 72.0589 174.5339 60 L 3.8748 8.1508 119.8807 57.3068 41.5242 179.1885 61 D 4.3071 7.7209 117.1159 56.4962 41.2901 176.6393 62 A 4.2921 8.0451 120.8418 52.6291 19.2193 176.9403 63 V 4.2489 7.4930 116.9877 62.7484 32.1799 175.8413 64 V 4.3546 8.9698 120.3657 62.3704 34.3319 174.9572 65 Q 5.6487 7.5492 119.3651 55.1420 33.2906 172.4664 *67 D 4.8164 8.5006 118.5205 54.4406 42.6749 174.5645 68 C 4.8025 8.9931 121.4102 57.8532 30.9049 172.7340 69 L 5.1510 8.2565 124.5818 52.9809 43.7480 175.5217 70 F 5.4539 9.0478 122.7814 55.6466 41.6831 176.7772 71 R 4.1173 9.2116 123.1785 58.0516 31.0481 175.7065 72 D 4.9622 8.3350 117.8022 51.5415 42.6606 175.9271 73 V 3.2960 9.3016 128.5875 63.4540 31.2680 177.6047 74 W 4.1958 7.9969 118.5388 58.3591 29.2469 176.7754 75 N 4.6627 8.0648 116.3749 53.5195 37.7969 176.4204 76 I 3.5319 6.8343 122.8405 64.3412 37.6592 175.7666 77 P 4.4095 0.0000 0.0000 65.4241 30.7566 178.2061 78 V 3.7789 7.3053 114.3440 63.5686 31.2370 176.4305 *80 E 4.3469 8.2680 119.7329 55.9466 31.2623 178.1815 81 K 3.7458 7.8212 115.7702 57.8591 32.3583 177.9158 *83 I 4.2838 7.8373 119.5075 61.2152 38.8736 178.1593 84 K 4.2253 8.1354 118.2994 59.5045 32.0249 178.4935 85 E 4.1943 8.3066 117.6891 58.5729 29.4801 177.9431 86 R 4.4598 7.9794 115.1514 56.3814 32.4197 176.5310 87 F 4.2212 8.8057 115.4326 56.5284 39.5680 175.0271 88 N 4.1718 9.0920 118.1651 54.6637 36.9250 174.6919 89 G 3.4991 8.3067 102.4828 45.3987 0.0000 173.9685 90 R 4.1106 7.2208 118.0853 54.4183 31.0719 174.4585 91 Y 4.8182 7.7702 120.0605 55.5415 40.0453 174.3758 92 P 4.7467 0.0000 0.0000 61.8377 32.9288 175.8432 93 A 4.4400 8.7637 123.2157 52.4368 19.6025 176.8308 94 R 5.0084 8.2343 115.6572 55.5243 32.7876 173.5807 95 K 4.7823 8.4265 116.8432 55.8067 36.2800 174.9254 96 S 5.4605 8.6431 116.2861 56.8004 66.3299 173.6355 97 I 4.7049 9.0649 116.9154 59.0799 41.0214 173.9605 98 Q 4.8586 8.6579 125.8431 55.9573 29.3976 174.6001 99 T 4.5918 8.5929 119.8557 60.3802 71.3412 173.0254 100 E 3.9314 8.5408 125.4520 56.2558 30.2607 176.3518 101 F 4.9863 8.1675 118.7146 55.6180 42.3059 175.4668 102 A 4.4463 8.4114 124.4781 51.8628 17.9288 177.2621 103 H 4.9816 7.8961 119.1032 55.4469 33.5695 173.0986 104 H 4.1282 8.7411 120.5466 56.5160 29.0368 174.7756 105 G 4.1218 8.6655 110.8013 47.1035 0.0000 172.8599 106 G 4.0022 8.7629 109.9308 44.4823 0.0000 170.1774 107 P 4.4981 0.0000 0.0000 64.3621 31.7126 175.8734 108 Q 4.1651 8.3091 120.0987 55.8675 26.3912 174.0052 109 G 4.0980 7.8548 106.0908 43.9055 0.0000 173.9524 110 L 4.2626 8.0794 121.5106 54.7718 42.6118 176.3842 111 L 5.0515 8.9563 123.6539 54.5593 44.5675 175.8794 112 F 5.2837 7.6201 118.4821 57.3435 42.2314 172.9833 113 Q 4.6288 8.0447 123.2506 54.1679 33.6482 174.2195 114 V 4.7792 8.2435 119.6356 60.3150 35.2557 174.2567 115 D 4.9306 9.2961 121.4872 53.4830 42.8234 173.8207 116 G 4.1060 7.6798 103.9620 47.0105 0.0000 171.3744 117 V 4.9181 8.2355 118.6049 60.9530 34.8821 174.4807 118 A 5.3630 9.2793 128.0844 50.4150 22.9576 174.0671 119 Y 4.9816 8.8970 119.6738 56.1475 42.0992 174.8301 120 S 4.0929 8.3236 120.8024 56.5728 66.1143 173.0947 121 K 3.9538 8.0799 129.2425 56.5731 32.5677 176.1554 122 H 4.4023 9.2486 123.0825 56.0875 28.6728 175.0699 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 T 8.17 4.32 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 I 7.68 3.91 1.84 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 1.33 0.56 0.90 0.00 0.00 5 R 9.59 4.59 0.00 1.77 1.36 0.00 3.12 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 6 R 8.18 4.90 0.00 1.55 1.78 0.00 3.12 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 7 Y 9.01 4.62 0.00 3.02 2.84 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 8 D 8.42 4.60 0.00 2.98 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 9 V 7.45 4.18 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 0.82 0.00 0.00 0.93 0.00 0.00 10 N 8.71 4.75 0.00 2.69 2.41 0.00 0.00 6.55 7.76 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 11 E 8.61 3.97 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 12 D 8.29 4.39 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.10 4.13 0.00 1.52 1.94 0.00 3.57 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 14 G 7.52 3.99 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 0.00 0.00 0.00 15 H 7.93 5.13 0.00 3.22 3.42 0.00 5.41 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 16 T 8.43 4.75 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 1.36 0.00 0.00 17 G 9.10 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 0.00 0.00 0.00 18 L 8.50 5.28 0.00 1.82 1.61 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.13 4.92 2.24 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 0.87 0.00 0.00 1.00 0.00 0.00 20 E 9.48 4.64 0.00 2.36 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 2.11 1.69 0.00 21 A 9.10 4.70 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 22 G 8.67 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 23 D 8.76 4.66 0.00 2.61 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 0.00 0.00 0.00 0.00 24 F 8.14 5.32 0.00 3.23 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 25 Y 8.97 5.16 0.00 2.82 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 26 Y 9.56 5.07 0.00 2.89 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 27 L 8.75 4.90 0.00 1.71 1.65 0.98 1.10 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 28 N 8.84 4.65 0.00 2.87 2.48 0.00 0.00 7.22 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 29 Y 8.55 4.48 0.00 2.92 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 30 C 9.69 5.22 0.00 2.94 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 31 V 8.34 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 0.67 0.00 0.00 0.88 0.00 0.00 32 G 8.90 3.93 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 0.00 0.00 0.00 33 N 8.48 4.09 0.00 2.97 2.84 0.00 0.00 6.45 7.68 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 34 V 7.48 3.75 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 0.66 0.00 0.00 0.86 0.00 0.00 35 G 8.88 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 36 Q 7.21 4.49 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 37 D 8.19 4.67 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 38 I 8.21 3.63 1.93 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 1.62 1.18 0.94 0.00 0.00 39 E 8.10 3.85 0.00 2.06 1.92 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 2.37 2.39 0.00 40 S 8.35 4.11 0.00 4.01 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 41 Q 8.01 4.48 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 42 I 7.46 2.90 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.29 0.00 0.00 43 N 8.26 4.53 0.00 2.97 2.90 0.00 0.00 6.96 7.13 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 44 G 8.58 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.06 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.80 0.00 3.23 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 47 D 8.61 4.61 0.00 2.89 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 48 E 8.21 4.28 0.00 2.22 1.92 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 2.30 2.45 0.00 *50 E 8.18 4.19 0.00 2.07 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 2.16 2.43 0.00 51 R 8.14 3.86 0.00 1.91 2.12 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 52 R 7.95 4.04 0.00 2.00 1.95 0.00 3.29 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 53 L 7.94 3.83 0.00 1.58 1.58 0.87 0.61 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 54 A 8.09 3.89 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 55 L 7.37 3.91 0.00 1.53 1.58 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.09 4.03 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 0.18 0.00 0.00 0.47 0.00 0.00 57 G 7.83 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 58 L 7.53 4.43 0.00 1.47 1.38 0.05 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.54 4.62 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 60 L 8.15 3.87 0.00 1.27 1.06 -0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.72 4.31 0.00 2.59 2.63 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 62 A 8.05 4.29 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 63 V 7.49 4.25 2.39 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 0.93 0.00 0.00 0.99 0.00 0.00 64 V 8.97 4.35 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 0.75 0.00 0.00 1.06 0.00 0.00 65 Q 7.55 5.65 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.21 0.00 *67 D 8.50 4.82 0.00 3.02 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 68 C 8.99 4.80 0.00 3.10 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 69 L 8.26 5.15 0.00 1.62 1.67 0.89 0.77 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 70 F 9.05 5.45 0.00 3.00 3.18 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 71 R 9.21 4.12 0.00 2.20 2.20 0.00 3.18 0.00 0.00 3.11 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.49 0.00 72 D 8.33 4.96 0.00 2.78 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 73 V 9.30 3.30 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 0.44 0.00 0.00 0.66 0.00 0.00 74 W 8.00 4.20 0.00 3.44 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 75 N 8.06 4.66 0.00 3.01 3.00 0.00 0.00 6.85 6.58 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 76 I 6.83 3.53 1.62 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 -0.16 0.84 0.00 0.00 77 P 0.00 4.41 0.00 2.17 2.13 0.00 3.66 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 2.16 2.17 0.00 78 V 7.31 3.78 2.24 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 0.75 0.00 0.00 0.96 0.00 0.00 *80 E 8.27 4.35 0.00 2.23 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 2.25 2.51 0.00 81 K 7.82 3.75 0.00 1.95 2.00 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 *83 I 7.84 4.28 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.68 0.51 0.00 0.00 84 K 8.14 4.23 0.00 1.94 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.52 7.81 85 E 8.31 4.19 0.00 2.07 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 2.39 2.34 0.00 86 R 7.98 4.46 0.00 1.81 1.78 0.00 3.31 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 87 F 8.81 4.22 0.00 3.46 3.28 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 88 N 9.09 4.17 0.00 2.77 2.77 0.00 0.00 7.09 7.98 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 89 G 8.31 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.22 4.11 0.00 1.72 1.79 0.00 3.17 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.61 0.00 91 Y 7.77 4.82 0.00 2.96 2.66 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 92 P 0.00 4.75 0.00 1.94 2.04 0.00 3.44 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.17 0.00 93 A 8.76 4.44 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 94 R 8.23 5.01 0.00 1.83 1.90 0.00 3.10 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 95 K 8.43 4.78 0.00 1.81 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 96 S 8.64 5.46 0.00 3.77 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 97 I 9.06 4.70 1.87 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 1.11 0.72 0.92 0.00 0.00 98 Q 8.66 4.86 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 99 T 8.59 4.59 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 0.71 0.00 0.00 100 E 8.54 3.93 0.00 1.90 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 2.24 2.23 0.00 101 F 8.17 4.99 0.00 3.00 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 0.00 102 A 8.41 4.45 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 0.00 103 H 7.90 4.98 0.00 3.09 3.10 0.00 5.95 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.74 4.13 0.00 3.20 3.38 0.00 5.50 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 0.00 105 G 8.67 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.50 0.00 2.07 2.04 0.00 3.86 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 2.04 2.14 0.00 108 Q 8.31 4.17 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 109 G 7.85 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.08 4.26 0.00 1.39 1.49 0.75 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.96 5.05 0.00 1.68 1.79 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.62 5.28 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.04 4.63 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 1.92 1.55 0.00 114 V 8.24 4.78 1.86 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 0.97 0.00 0.00 1.18 0.00 0.00 115 D 9.30 4.93 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.24 4.92 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 0.81 0.00 0.00 0.92 0.00 0.00 118 A 9.28 5.36 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 0.00 119 Y 8.90 4.98 0.00 2.59 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 0.00 120 S 8.32 4.09 0.00 3.62 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.95 0.00 1.70 1.63 0.00 1.94 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 122 H 9.25 4.40 0.00 3.16 3.20 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.