NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0843 8.1633 120.7252 55.1812 33.8610 173.8743 2 R 4.9083 9.1230 122.6967 51.5681 34.0701 169.5458 3 V 4.8590 8.5922 122.7267 59.9251 35.4479 174.1103 4 V 4.9206 8.6378 124.4764 61.4570 33.5168 174.1367 5 I 4.8308 8.9008 130.0013 60.0753 39.2221 174.9240 6 Q 5.1224 9.0003 125.5644 53.9241 32.5944 174.5665 7 R 4.4502 9.0830 125.5452 56.2419 31.1392 175.6472 8 V 4.9035 8.9424 119.6372 59.7080 35.0376 176.6047 9 K 4.1479 9.0471 121.9216 58.2726 33.1719 176.8944 10 G 4.3967 7.7664 104.6913 45.4899 0.0000 172.8019 11 A 5.3481 8.1803 120.1341 52.1739 22.5585 175.5612 12 I 4.5736 8.3300 123.9537 60.7400 39.2436 174.7919 13 L 4.9726 9.2298 129.3563 53.4858 44.4327 175.1100 14 S 5.1700 9.7544 123.5736 56.8956 66.2480 173.6777 15 V 4.9394 8.0433 113.8914 59.9750 35.9730 175.2591 16 R 4.6709 8.4286 122.9571 55.3921 32.2672 176.2737 *25 K 4.0002 8.4223 121.3326 55.7170 32.8387 171.8481 26 E 4.6573 8.4684 119.8379 53.1572 31.5646 172.4179 27 L 4.5312 8.1308 118.0672 55.8626 42.7628 177.0895 28 E 4.6136 8.8413 119.0551 55.2377 32.8299 174.5318 29 I 3.9672 8.6829 125.8318 62.2841 37.0867 175.7495 30 I 4.6180 8.9582 118.4752 60.5914 39.5991 175.5829 31 S 4.8346 7.8909 117.3842 57.0604 67.4912 172.4490 32 E 5.8185 8.7254 121.2936 55.3866 32.6729 174.1243 33 I 5.1485 8.0406 117.6924 56.9805 41.7412 174.6856 34 K 4.7043 9.2846 129.4301 55.6598 30.6358 179.2107 35 N 4.6600 8.6592 125.7265 53.9136 39.6147 173.6525 36 G 4.3434 6.7971 109.5360 45.4341 0.0000 172.9299 37 L 5.2879 8.7671 124.4564 52.9151 46.2462 174.6855 38 I 4.5734 8.7292 123.7052 59.5003 40.1726 174.0211 39 C 5.0160 9.0071 126.7017 58.0279 31.4247 173.2496 40 F 5.2460 8.9992 124.7126 56.3676 39.9614 174.8533 41 L 5.0310 9.6316 128.4892 53.3517 44.0169 175.1095 42 G 4.2644 9.5150 114.6215 44.7327 0.0000 172.1535 43 I 5.1535 8.6618 126.2853 59.7129 39.2317 174.8708 44 H 3.9358 10.4589 129.3888 55.4357 30.4820 176.4147 45 K 3.8401 8.4106 123.6302 59.8488 32.3618 177.4823 46 N 4.8331 8.1954 114.4516 52.8455 38.7357 174.5174 47 D 4.5907 7.5580 119.5278 54.4530 41.5703 176.3426 48 T 4.7581 9.2543 114.0194 59.5399 71.4515 175.4750 49 W 4.3822 9.1495 131.0206 61.0117 30.5013 177.4169 50 E 3.9368 7.9326 118.8122 59.8014 28.9497 179.5188 51 D 4.3382 8.1068 118.2278 57.2659 41.0460 178.2259 52 A 3.8528 8.0633 120.8146 55.4149 18.1777 179.3760 53 L 3.5877 7.5026 118.2302 57.7536 41.9670 178.5879 54 Y 3.9375 7.6716 120.0451 60.5263 38.7905 177.4829 55 I 3.5980 7.5464 120.2818 64.5229 37.2711 178.2791 56 I 3.1321 7.3381 120.2124 64.3668 36.7273 178.4761 57 R 3.8644 7.6820 119.2453 59.1507 29.7047 178.7886 58 K 3.8237 7.8943 118.3504 59.5797 31.9066 178.9162 59 C 4.0913 8.2486 115.7947 63.1863 28.2494 176.2525 60 L 4.1809 8.4000 118.9734 56.7308 41.2654 177.5823 61 N 4.9028 7.5118 113.5862 52.6905 40.8857 174.9932 62 L 3.9142 7.9121 118.5936 55.4219 42.1389 177.8142 63 R 4.6028 8.5674 122.9562 55.3893 28.8077 176.1812 64 L 5.0421 8.5499 120.1140 54.0117 43.4541 176.0858 65 W 4.7338 8.5498 119.7920 54.6088 32.0404 175.5179 66 N 4.8860 8.6465 120.6123 53.2212 39.2745 174.7065 67 N 4.7687 9.8101 118.1919 54.9525 41.0795 176.1068 *69 N 4.7486 8.2512 113.6627 51.7033 39.8792 178.8129 70 K 4.7666 8.4319 118.8001 54.2599 35.5417 175.8431 71 T 4.3240 8.3993 111.9508 61.3226 70.5140 174.2601 72 W 3.8000 7.6635 120.5264 56.9960 27.3893 174.8126 73 D 4.6935 8.2681 117.3463 55.6973 42.2507 175.9348 74 K 4.6626 8.4152 118.9037 54.5497 34.5543 175.7933 75 N 5.4915 8.2202 119.5096 51.2902 40.0468 175.3586 76 V 3.4407 8.5681 116.1534 66.4850 31.3392 178.0590 77 K 3.5568 7.7417 117.1612 59.6668 31.7672 178.8189 78 D 4.3519 8.4728 117.7828 56.5401 40.7554 178.0041 79 L 4.1348 6.7069 114.6393 52.8668 42.5587 175.5512 80 N 4.1882 7.7597 116.2284 54.8362 37.6624 173.5834 81 Y 4.9762 7.5382 114.5187 57.4025 39.7569 174.5273 82 E 5.0108 8.8807 118.9388 54.9777 33.4295 175.5663 83 L 4.9869 8.9164 120.3321 53.0694 45.7817 175.4774 84 L 4.7980 9.0065 126.8835 53.4986 43.9327 174.9583 85 I 4.6241 8.4399 128.6720 59.7383 38.5405 175.5621 86 V 4.4423 9.2877 128.3188 60.7454 34.4601 174.5588 87 S 4.6738 8.4522 122.9223 58.6547 63.2492 174.0216 88 Q 4.2856 9.6065 126.1580 53.6947 30.2839 175.4299 89 F 4.4078 8.5557 120.0451 59.6075 38.4873 178.3281 90 T 3.5631 6.7432 111.0341 64.0825 68.3184 175.7180 91 L 3.9689 7.5615 121.1192 56.7622 41.2684 177.4023 92 F 5.1476 8.8331 118.3367 57.1124 40.3930 175.3650 93 G 4.2439 8.4464 107.8999 46.0713 0.0000 173.6431 94 N 4.9049 9.2929 126.7060 52.7176 40.2370 175.3896 95 T 4.5812 8.3173 114.2209 61.2307 69.8431 174.8394 96 K 4.0624 8.3277 122.8150 59.7699 32.8355 177.5461 97 K 3.7663 8.1213 118.5180 57.8137 31.2906 179.1393 98 G 4.0240 8.4135 110.7748 44.7858 0.0000 172.5004 99 N 4.5534 8.4540 114.7147 54.1103 39.4251 175.6753 100 K 4.0678 7.8584 119.8179 55.4924 32.6005 174.6810 101 P 4.6332 0.0000 0.0000 61.9094 32.4201 175.0519 102 D 4.5025 8.1768 119.5001 51.5952 41.5462 176.8904 103 F 5.4755 7.8663 121.2288 56.4149 39.0521 176.2383 104 H 4.2682 8.0156 116.1717 56.8464 29.8684 176.8112 105 L 4.2362 7.8041 118.2247 55.5804 42.8545 176.2596 106 A 4.4014 7.3375 122.0014 50.9806 18.7600 177.5720 107 K 3.8478 8.5522 124.8472 56.4306 33.4242 176.2095 108 E 3.9713 9.0349 126.1905 56.6312 30.1886 176.3332 109 P 4.2659 0.0000 0.0000 65.5172 31.4581 178.0189 110 N 4.2183 8.0622 115.0253 56.3949 38.6013 176.8754 111 E 4.2255 8.4558 118.0516 57.7609 29.6699 178.7389 112 A 4.3586 7.8565 121.3564 54.6761 19.1799 178.9474 113 L 2.9612 7.4925 118.8304 58.1039 41.5425 179.4350 114 I 3.8453 7.5743 119.8587 64.1146 37.0753 178.2176 115 F 4.2819 8.1903 121.7537 61.5164 39.2467 176.3335 116 Y 4.2648 9.0447 119.5315 61.2147 38.7277 177.8673 117 N 4.3679 8.5614 116.7160 56.3777 38.5011 177.6269 118 K 4.0986 7.8457 119.6146 59.4120 31.9091 179.4591 119 I 3.6593 7.5149 119.3959 64.0968 37.2354 178.2479 120 I 3.9352 7.9681 120.8636 64.5441 36.9546 177.8918 121 D 4.4622 8.0121 119.7282 57.8379 40.5736 179.1442 122 E 4.1325 7.8478 117.0693 58.3885 29.7870 178.5341 123 F 4.2703 8.2991 118.4620 60.5556 38.9993 177.6500 124 K 4.2109 8.2055 117.4956 59.6737 31.8183 179.2028 125 K 3.8329 7.8212 117.2977 59.5058 32.0969 177.4135 126 Q 4.4919 7.6379 116.3771 55.8494 29.0815 174.4023 127 Y 5.0659 7.6390 117.7126 57.3610 45.5150 174.0671 128 N 4.2787 8.0740 109.7798 53.0981 42.5102 173.9658 129 D 4.7788 8.8092 124.7174 53.4414 39.6533 176.1765 130 D 4.7259 8.7614 119.9467 54.8620 42.8847 177.2255 131 K 4.0556 7.4464 116.6490 57.5288 32.4438 175.8843 132 I 4.7113 7.4586 119.8461 59.5973 38.3349 175.1672 133 K 4.8072 9.4435 127.5657 54.4278 35.3941 175.3442 134 I 4.9543 8.2845 115.2831 59.3455 40.8609 175.0247 135 G 4.0305 7.9396 111.4765 44.5780 0.0000 172.5124 136 K 4.5538 8.3222 120.1138 54.0335 34.2886 175.8464 137 F 3.6256 8.8924 126.1902 59.5902 39.6476 176.2988 138 G 4.1557 8.4930 113.0432 46.2777 0.0000 173.2642 139 N 4.8650 7.7282 116.6216 51.6252 40.1718 174.1709 140 Y 4.0784 8.4761 121.7371 57.7950 39.3758 174.7064 141 M 4.8346 7.5764 126.1766 53.4184 35.0841 174.2674 142 N 4.7901 9.2124 122.6639 52.1375 41.3375 173.8593 143 I 5.4127 8.0163 125.5482 58.6341 40.6160 174.4436 144 D 4.5204 8.7222 128.2650 54.1882 41.8613 175.6915 145 V 4.5321 8.3904 123.2618 61.4180 34.3776 175.0305 146 T 4.4293 8.6027 125.3988 62.0399 69.0541 173.5845 147 N 4.7708 8.6240 124.2882 53.2960 39.4790 175.4071 148 D 4.4910 10.6100 124.8337 51.8501 39.9617 174.7535 149 G 3.9461 8.2744 117.8474 44.6062 0.0000 169.7690 150 P 4.4496 0.0000 0.0000 61.0732 33.0324 175.3416 151 V 4.4267 7.9870 117.1616 61.6264 34.4418 173.8359 152 T 5.2237 8.6933 124.1014 61.8375 71.4925 173.4822 153 I 4.6768 9.1775 126.8285 59.5445 40.9711 173.8885 154 Y 5.2616 8.6250 126.0627 55.9326 41.4913 174.3753 155 I 4.3632 8.0163 126.8404 59.2675 40.8822 173.8174 156 D 5.1932 8.3251 126.3505 52.3924 42.5989 175.9100 157 T 3.8771 8.9608 117.6909 64.9947 68.9445 175.9704 158 H 4.3175 8.1232 115.4162 57.1992 28.3132 175.2288 159 D 4.8568 8.1766 120.4931 54.5266 41.4921 177.0154 160 I 3.9952 7.4669 122.7996 59.8482 36.0716 179.7921 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 1 M 8.16 5.08 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.12 4.91 0.00 1.26 1.70 0.00 2.35 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 3 V 8.59 4.86 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 0.70 0.00 0.00 1.03 0.00 0.00 4 V 8.64 4.92 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 1.18 0.00 0.00 1.12 0.00 0.00 5 I 8.90 4.83 1.88 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 1.25 0.47 0.91 0.00 0.00 6 Q 9.00 5.12 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 7 R 9.08 4.45 0.00 1.56 1.62 0.00 2.21 0.00 0.00 2.45 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.00 8 V 8.94 4.90 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 0.71 0.00 0.00 0.97 0.00 0.00 9 K 9.05 4.15 0.00 1.57 1.83 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.53 7.81 10 G 7.77 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 11 A 8.18 5.35 1.19 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 12 I 8.33 4.57 1.87 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 1.23 0.68 0.91 0.00 0.00 13 L 9.23 4.97 0.00 1.60 1.62 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.75 5.17 0.00 3.70 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.04 4.94 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 0.74 0.00 0.00 0.97 0.00 0.00 16 R 8.43 4.67 0.00 1.84 1.92 0.00 3.19 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 1.63 1.72 0.00 *25 K 8.42 4.00 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 26 E 8.47 4.66 0.00 1.97 1.76 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 2.17 1.88 0.00 27 L 8.13 4.53 0.00 1.66 1.66 0.98 0.98 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 28 E 8.84 4.61 0.00 2.03 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 2.22 2.31 0.00 29 I 8.68 3.97 1.88 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 0.54 0.91 0.00 0.00 30 I 8.96 4.62 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 1.25 0.73 1.01 0.00 0.00 31 S 7.89 4.83 0.00 3.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.73 5.82 0.00 1.91 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 2.18 2.13 0.00 33 I 8.04 5.15 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 1.31 1.67 0.87 0.00 0.00 34 K 9.28 4.70 0.00 1.87 1.08 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 35 N 8.66 4.66 0.00 1.44 1.42 0.00 0.00 6.70 7.59 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 36 G 6.80 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.77 5.29 0.00 1.61 1.51 1.05 0.65 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 38 I 8.73 4.57 1.70 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 1.40 0.84 0.00 0.00 39 C 9.01 5.02 0.00 2.69 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 40 F 9.00 5.25 0.00 2.98 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 41 L 9.63 5.03 0.00 1.83 1.74 1.17 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.52 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.66 5.15 2.11 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.91 0.00 0.00 44 H 10.46 3.94 0.00 2.99 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.41 3.84 0.00 1.83 1.84 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 46 N 8.20 4.83 0.00 2.63 2.82 0.00 0.00 6.93 8.06 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 47 D 7.56 4.59 0.00 2.48 2.25 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 48 T 9.25 4.76 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 1.32 0.00 0.00 49 W 9.15 4.38 0.00 3.48 3.24 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 50 E 7.93 3.94 0.00 2.26 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 2.46 2.60 0.00 51 D 8.11 4.34 0.00 3.11 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 52 A 8.06 3.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.50 3.59 0.00 1.29 1.50 0.75 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.67 3.94 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.55 3.60 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.72 0.96 0.00 0.00 56 I 7.34 3.13 1.53 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.30 0.42 0.00 0.00 57 R 7.68 3.86 0.00 1.82 1.87 0.00 3.04 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 58 K 7.89 3.82 0.00 1.76 1.68 0.00 1.51 0.00 0.00 1.39 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 1.19 7.81 59 C 8.25 4.09 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.40 4.18 0.00 1.62 1.64 0.94 0.98 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 61 N 7.51 4.90 0.00 2.71 2.78 0.00 0.00 7.00 7.75 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 62 L 7.91 3.91 0.00 1.69 1.66 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.57 4.60 0.00 2.04 2.13 0.00 3.12 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 64 L 8.55 5.04 0.00 0.92 1.35 0.85 0.97 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 65 W 8.55 4.73 0.00 3.45 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 66 N 8.65 4.89 0.00 2.54 2.83 0.00 0.00 6.67 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 67 N 9.81 4.77 0.00 2.64 2.82 0.00 0.00 7.69 6.59 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 *69 N 8.25 4.75 0.00 2.81 2.76 0.00 0.00 6.59 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.43 4.77 0.00 1.75 1.71 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.51 7.81 71 T 8.40 4.32 3.79 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 1.12 0.00 0.00 72 W 7.66 3.80 0.00 3.46 3.46 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 73 D 8.27 4.69 0.00 2.65 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 74 K 8.42 4.66 0.00 1.83 1.65 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.46 7.81 75 N 8.22 5.49 0.00 3.08 3.17 0.00 0.00 6.73 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 76 V 8.57 3.44 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 1.21 0.00 0.00 1.14 0.00 0.00 77 K 7.74 3.56 0.00 1.71 1.57 0.00 1.48 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.41 1.32 7.81 78 D 8.47 4.35 0.00 2.72 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 79 L 6.71 4.13 0.00 0.36 0.13 0.20 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.76 4.19 0.00 2.75 2.79 0.00 0.00 7.15 7.16 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 81 Y 7.54 4.98 0.00 2.69 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 82 E 8.88 5.01 0.00 1.91 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 2.22 2.29 0.00 83 L 8.92 4.99 0.00 1.43 1.27 1.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.01 4.80 0.00 1.62 1.40 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.44 4.62 1.75 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.32 0.90 0.00 0.00 86 V 9.29 4.44 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 0.91 0.00 0.00 0.80 0.00 0.00 87 S 8.45 4.67 0.00 3.12 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 88 Q 9.61 4.29 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 89 F 8.56 4.41 0.00 3.26 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 90 T 6.74 3.56 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 0.16 0.00 0.00 91 L 7.56 3.97 0.00 1.65 1.39 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.83 5.15 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.45 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 0.00 0.00 0.00 0.00 94 N 9.29 4.90 0.00 2.89 2.99 0.00 0.00 6.27 6.76 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 95 T 8.32 4.58 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 1.20 0.00 0.00 96 K 8.33 4.06 0.00 1.76 1.91 0.00 2.02 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.50 7.81 97 K 8.12 3.77 0.00 1.67 1.55 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.48 7.81 98 G 8.41 4.02 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 0.00 99 N 8.45 4.55 0.00 2.71 2.87 0.00 0.00 6.73 7.61 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 0.00 100 K 7.86 4.07 0.00 1.70 1.69 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.46 7.81 101 P 0.00 4.63 0.00 1.76 1.90 0.00 3.63 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 2.13 2.08 0.00 102 D 8.18 4.50 0.00 2.81 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 0.00 103 F 7.87 5.48 0.00 3.17 3.26 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 0.00 0.00 0.00 0.00 104 H 8.02 4.27 0.00 3.27 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.80 4.24 0.00 1.58 1.27 0.93 1.06 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 0.00 106 A 7.34 4.40 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.55 3.85 0.00 1.94 1.78 0.00 1.79 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.36 7.81 108 E 9.03 3.97 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 109 P 0.00 4.27 0.00 2.19 2.10 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 110 N 8.06 4.22 0.00 3.00 2.82 0.00 0.00 7.15 7.66 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 0.00 111 E 8.46 4.23 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 2.35 2.47 0.00 112 A 7.86 4.36 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.49 2.96 0.00 0.80 1.50 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.57 3.85 1.98 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 1.42 0.89 0.97 0.00 0.00 115 F 8.19 4.28 0.00 3.34 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 0.00 116 Y 9.04 4.26 0.00 3.52 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.37 0.00 2.89 2.97 0.00 0.00 7.16 7.39 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 0.00 118 K 7.85 4.10 0.00 2.10 2.09 0.00 1.49 0.00 0.00 0.95 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.59 7.81 119 I 7.51 3.66 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.36 0.81 0.00 0.00 120 I 7.97 3.94 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.37 0.89 0.00 0.00 121 D 8.01 4.46 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.85 4.13 0.00 2.20 2.25 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 2.17 2.22 0.00 123 F 8.30 4.27 0.00 3.38 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 K 8.21 4.21 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.84 7.81 125 K 7.82 3.83 0.00 1.93 1.97 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.61 7.81 126 Q 7.64 4.49 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 127 Y 7.64 5.07 0.00 2.84 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 0.00 128 N 8.07 4.28 0.00 2.25 1.49 0.00 0.00 6.64 8.49 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 0.00 129 D 8.81 4.78 0.00 2.81 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 0.00 130 D 8.76 4.73 0.00 2.50 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 0.00 131 K 7.45 4.06 0.00 1.34 1.78 0.00 1.92 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.03 0.87 7.81 132 I 7.46 4.71 1.83 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 1.49 0.89 0.72 0.00 0.00 133 K 9.44 4.81 0.00 1.56 1.65 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.64 7.81 134 I 8.28 4.95 2.12 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 1.34 0.76 0.97 0.00 0.00 135 G 7.94 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 0.00 136 K 8.32 4.55 0.00 1.76 1.78 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.37 7.81 137 F 8.89 3.63 0.00 3.08 2.85 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 0.00 138 G 8.49 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 0.00 139 N 7.73 4.87 0.00 2.98 2.81 0.00 0.00 6.89 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 0.00 140 Y 8.48 4.08 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 0.00 141 M 7.58 4.83 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 142 N 9.21 4.79 0.00 2.93 2.73 0.00 0.00 6.60 7.84 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 0.00 143 I 8.02 5.41 1.90 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 1.32 0.94 0.96 0.00 0.00 144 D 8.72 4.52 0.00 2.60 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 0.00 145 V 8.39 4.53 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 0.89 0.00 0.00 0.95 0.00 0.00 146 T 8.60 4.43 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 1.21 0.00 0.00 147 N 8.62 4.77 0.00 2.61 2.75 0.00 0.00 6.97 8.06 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 0.00 148 D 10.61 4.49 0.00 2.62 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 0.00 149 G 8.27 3.95 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 0.00 0.00 0.00 150 P 0.00 4.45 0.00 2.19 2.07 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 151 V 7.99 4.43 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 1.07 0.00 0.00 0.92 0.00 0.00 152 T 8.69 5.22 4.26 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 0.00 0.00 0.00 1.26 0.00 0.00 153 I 9.18 4.68 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.00 0.89 0.00 0.00 154 Y 8.62 5.26 0.00 2.92 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 0.00 155 I 8.02 4.36 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.66 0.97 0.00 0.00 156 D 8.33 5.19 0.00 2.60 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 0.00 157 T 8.96 3.88 4.28 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 1.35 0.00 0.00 158 H 8.12 4.32 0.00 3.36 3.37 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.18 4.86 0.00 2.77 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 0.00 160 I 7.47 4.00 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 1.27 0.74 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.