NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2471 8.0244 121.4624 61.0245 38.4254 175.1632 3 D 4.3793 8.9755 124.9386 53.9424 41.9209 172.7854 4 E 4.2226 9.2699 121.6304 56.8845 30.6568 179.0223 5 K 3.9129 7.9523 124.9463 59.7748 32.0643 184.3165 6 F 4.3959 8.1146 117.5729 59.2339 38.2486 177.7133 7 L 3.6264 6.6038 122.3495 58.2899 40.8090 184.2182 8 I 3.7898 7.1391 118.5986 64.8373 37.0810 178.2037 9 E 3.9286 7.7275 119.1540 59.3594 29.2070 179.7059 10 S 4.0271 7.3780 114.8292 61.7346 62.8549 176.5400 11 N 4.3166 7.8671 118.7867 56.2291 38.2379 177.4393 12 E 3.9143 8.1501 120.1399 59.1070 29.3076 179.0618 13 L 3.9068 7.6405 119.3926 58.2083 42.5915 178.8843 14 V 3.1843 7.5345 118.0370 65.9685 31.1957 177.8782 15 E 4.1125 8.2347 117.4226 58.6730 29.3774 178.5511 16 S 4.5390 7.8515 112.6593 57.9750 63.8416 174.1830 17 S 4.5505 7.4935 120.6204 58.2487 63.8468 174.6546 18 K 4.3988 8.7952 125.8923 55.1942 32.7889 173.5320 19 I 4.7004 7.6148 118.5801 59.3454 40.0940 175.3544 20 V 3.8686 7.5691 125.1791 60.6601 31.9304 175.4494 *22 V 3.8539 8.3520 118.0365 62.6280 32.9428 174.5883 23 G 4.5397 8.8040 116.1024 44.9097 0.0000 172.4850 24 T 5.0980 8.8194 114.2776 59.6934 73.0904 172.8298 25 N 4.8287 8.8337 120.1314 52.9736 39.3821 175.1618 26 G 4.1406 8.7035 113.6254 44.3464 0.0000 171.8040 27 E 4.1821 8.6520 119.8352 57.5720 30.0792 177.1065 28 N 4.3102 9.6837 120.6839 54.2606 36.0001 175.1015 29 G 3.8688 8.1151 103.9316 45.2808 0.0000 173.0984 30 Y 4.6740 7.6400 117.6326 55.4188 40.0772 173.9993 31 P 4.9657 0.0000 0.0000 62.8568 32.5919 175.3621 32 N 5.1690 9.0939 117.8105 51.7565 43.0890 173.7010 33 I 5.1104 8.2678 121.4317 59.5901 40.8289 174.7980 34 K 4.6474 8.6460 125.7922 54.7939 35.3029 175.7200 35 A 4.5966 8.4097 127.9492 51.0253 19.7812 176.7163 *38 R 4.0867 8.2802 118.6904 56.7689 30.4325 175.0781 39 L 4.4425 9.5016 127.2583 57.0951 42.5835 176.9786 40 K 4.8567 8.1933 117.4675 56.1348 35.6515 173.4302 41 H 5.2783 8.6185 118.4030 54.5823 32.2128 172.2886 42 D 4.4635 8.9163 118.4477 51.8555 43.3973 175.7373 43 G 3.7411 8.7173 118.5687 47.2769 0.0000 173.0056 44 L 4.8139 8.5762 123.7829 54.3760 42.2320 176.6481 45 K 4.2405 7.9561 121.5190 57.6457 33.0524 176.4397 46 K 4.8103 7.2741 116.6265 54.3945 36.4432 175.5531 47 F 5.0987 8.6164 121.9879 55.6250 43.3135 173.5355 48 W 5.2972 9.9260 124.2663 55.1876 31.0705 175.3719 49 L 5.3864 9.3204 124.5023 52.9097 45.1569 175.6418 50 S 5.7149 8.5751 114.7358 56.4320 66.3595 172.4421 51 T 4.7783 8.1681 114.4697 60.9585 71.1220 171.7451 52 N 5.1952 8.7271 121.4433 52.5656 38.1249 175.2361 53 T 3.8869 8.6016 118.5844 63.8013 69.8428 173.5146 54 S 4.6411 8.3445 119.3606 57.5264 65.2813 174.3047 55 T 4.0325 8.6528 118.9161 64.6577 69.1802 176.7752 56 R 3.9256 7.9597 118.2747 57.2876 30.0165 177.6758 *58 V 4.0541 7.8875 117.6155 62.6816 33.3729 177.4150 59 E 3.9943 8.3250 119.2032 59.2143 29.1235 178.9447 60 R 3.8573 8.0675 118.7738 59.8861 29.9335 178.6374 61 L 4.3388 8.0776 117.9252 56.5752 41.7592 179.0560 62 K 4.1861 7.8124 118.3623 59.6017 32.7539 179.2079 63 K 4.4171 7.8678 119.0852 57.9824 31.9678 176.8887 64 N 4.6613 8.4659 120.3444 52.8351 40.3288 173.0763 65 N 4.9519 8.6776 122.7976 52.6444 39.0177 174.2925 66 K 4.8600 8.1000 119.9143 56.5602 32.8546 176.3090 67 I 5.0408 9.0889 118.2825 59.5656 41.9204 173.3952 68 C 5.2897 8.9144 115.7436 56.6508 33.1990 172.8511 69 L 4.6488 8.5242 120.2077 53.0215 43.6442 175.4209 70 Y 4.8141 7.9987 122.6675 55.7964 41.9523 174.2349 71 F 4.6364 8.6422 125.6605 55.4922 41.3073 174.9976 72 V 4.1245 8.4009 124.8556 62.5909 32.2448 174.7804 73 D 4.6878 8.6298 128.5419 54.0878 41.2832 175.8894 74 D 4.6987 9.0053 124.9307 55.2155 41.4568 176.4736 75 N 4.9952 8.1323 115.1618 52.4531 39.9952 173.9336 76 K 4.3857 7.3974 115.1799 55.9275 34.6830 175.6467 77 F 4.5045 8.7803 122.4861 57.8091 37.9193 173.8198 78 A 4.3005 7.4629 125.9373 51.1635 22.5495 174.6327 79 G 3.8946 7.8649 105.5221 45.9629 0.0000 171.6872 80 L 5.5244 7.6745 121.3683 51.9861 46.1384 174.6177 *82 L 4.7051 8.2298 117.1195 54.7933 43.4988 176.3329 83 V 4.8904 8.8503 122.3096 60.9560 34.5387 175.2010 84 G 4.5222 8.4157 113.9064 46.4714 0.0000 171.7771 85 T 5.3059 7.7214 111.3684 59.9276 72.4420 173.2505 86 I 5.2939 8.4333 122.4105 59.2928 41.4682 174.3690 87 E 4.7978 8.9814 124.0235 54.5766 32.9628 174.5844 88 I 4.1371 8.4770 124.0633 61.2818 38.1774 176.0581 89 L 4.4861 8.4756 127.8276 53.7591 40.6171 176.2782 90 H 4.3729 8.6574 121.3809 57.3821 29.5826 176.5248 91 D 4.6237 7.8400 120.5565 52.6348 41.3592 177.1602 92 R 3.8487 8.6004 122.2605 59.3155 29.9324 178.3610 93 A 3.9914 7.9948 119.3662 55.5641 18.4058 179.2874 94 S 4.2174 8.1920 111.8312 61.8058 62.9872 176.9142 95 K 4.2653 7.6991 119.6454 59.1340 31.5613 179.2194 96 E 4.1673 8.4346 117.3478 56.8868 29.1900 178.0800 *98 L 4.2157 7.8481 116.9846 53.2603 43.6980 177.1065 99 W 4.2530 8.0586 129.4877 57.4147 31.1971 175.0846 100 T 4.5759 7.4260 114.8305 59.1438 70.8963 172.9830 101 D 4.5236 8.6492 123.5620 55.5796 41.3101 175.6358 102 G 3.8958 9.5179 115.4536 46.6813 0.0000 176.0155 103 C 3.9601 7.8760 118.5215 62.0905 27.5019 175.7785 104 E 4.2968 7.8269 117.9911 59.1228 29.1452 178.8885 105 I 3.6542 7.0225 120.6878 64.3225 37.1631 177.2773 106 Y 4.2053 7.2747 115.5557 58.7392 39.4073 175.3299 107 Y 5.1625 7.8713 118.3333 55.0366 38.0114 174.2332 108 P 4.3303 0.0000 0.0000 65.1099 31.8996 178.2309 109 L 4.2969 8.4165 117.3386 54.6906 42.5264 178.0810 110 G 3.4471 8.4047 106.8013 44.2082 0.0000 174.6474 111 I 3.5008 7.2834 118.8502 64.4030 37.1515 176.4328 112 D 4.6368 7.7303 116.6873 53.9353 41.4526 175.9118 113 D 4.4459 8.1779 121.4827 53.9347 41.4050 175.4620 114 P 4.4534 0.0000 0.0000 65.0557 31.7537 176.7478 115 D 4.6286 8.6310 118.1019 54.6766 41.2780 175.0461 116 Y 3.8434 7.6374 121.3112 57.3062 38.6742 174.7417 117 T 4.5034 8.5133 123.3852 61.5244 72.0570 173.1585 118 A 5.1350 8.2446 126.5743 50.3725 22.4543 175.0042 119 L 5.1466 9.0255 118.7384 53.3617 47.1862 174.9526 120 C 4.8761 9.2570 121.8878 57.6903 34.2936 172.2888 121 F 5.2361 9.2882 129.8119 57.1866 41.2657 174.3611 122 T 4.5875 8.1746 122.5891 61.4906 70.5737 173.3880 123 A 4.2064 8.1618 129.2198 51.5857 19.3117 176.5466 124 E 4.3673 9.4835 120.3512 56.7837 32.6444 176.3094 125 W 5.4427 8.1198 117.0570 54.7890 33.8721 174.6892 126 G 3.8683 8.9354 109.0196 44.3083 0.0000 171.5445 127 N 5.2057 8.2948 118.4839 52.2192 42.2507 172.1326 128 Y 5.2111 9.4031 129.0042 56.4784 41.0271 173.5815 129 Y 4.8970 8.2862 125.0501 56.3820 40.2513 174.7831 130 R 4.5238 9.0271 122.9615 55.9438 34.3282 174.0744 131 H 4.2947 9.1773 119.3277 57.5316 26.0769 174.9026 132 L 3.8542 8.4865 113.4485 55.5740 39.5058 174.2784 133 K 4.9957 8.0402 116.8756 54.6904 36.7490 174.7769 134 N 5.3176 8.5095 117.1973 51.4953 40.6576 173.6187 135 I 4.4116 8.5754 121.7568 59.9632 39.7555 174.6058 136 T 5.1759 8.5713 123.8254 62.1551 70.2457 174.0684 137 F 5.2753 8.8460 119.7616 55.2991 42.3942 173.0306 138 K 4.0128 8.7334 121.5169 55.1307 33.3248 177.4596 139 I 3.8774 8.2894 128.7393 64.7179 37.1996 177.9941 140 D 4.4959 7.7278 117.6433 56.1713 40.8604 177.0403 141 E 4.2148 7.8510 118.1152 57.4098 30.0269 176.6061 142 I 4.0842 7.5492 116.3158 60.8192 37.6481 175.0697 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 I 8.02 4.25 1.93 0.00 0.00 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 1.45 1.30 1.08 0.00 0.00 3 D 8.98 4.38 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.27 4.22 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 5 K 7.95 3.91 0.00 1.76 1.81 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.06 7.81 6 F 8.11 4.40 0.00 2.99 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 7 L 6.60 3.63 0.00 1.67 1.71 0.92 0.83 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 8 I 7.14 3.79 1.95 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 1.42 0.37 0.84 0.00 0.00 9 E 7.73 3.93 0.00 1.71 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 0.00 2.35 2.32 0.00 10 S 7.38 4.03 0.00 3.79 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 11 N 7.87 4.32 0.00 2.81 2.97 0.00 0.00 7.10 7.11 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 12 E 8.15 3.91 0.00 2.12 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 2.30 2.40 0.00 13 L 7.64 3.91 0.00 1.84 1.84 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.53 3.18 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 0.89 0.00 0.00 0.22 0.00 0.00 15 E 8.23 4.11 0.00 2.14 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 2.43 2.42 0.00 16 S 7.85 4.54 0.00 4.08 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 17 S 7.49 4.55 0.00 4.30 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 18 K 8.80 4.40 0.00 1.79 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.01 7.81 19 I 7.61 4.70 1.88 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 1.49 1.33 0.87 0.00 0.00 20 V 7.57 3.87 1.59 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 0.69 0.00 0.00 -0.00 0.00 0.00 *22 V 8.35 3.85 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 0.80 0.00 0.00 23 G 8.80 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.82 5.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 25 N 8.83 4.83 0.00 2.64 2.83 0.00 0.00 6.83 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 26 G 8.70 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.65 4.18 0.00 2.12 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 0.00 2.38 1.91 0.00 28 N 9.68 4.31 0.00 3.19 3.15 0.00 0.00 7.21 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 29 G 8.12 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 0.00 0.00 0.00 30 Y 7.64 4.67 0.00 2.87 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 31 P 0.00 4.97 0.00 1.94 1.97 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 32 N 9.09 5.17 0.00 2.61 2.62 0.00 0.00 7.09 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 33 I 8.27 5.11 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.83 0.00 0.00 34 K 8.65 4.65 0.00 1.69 1.57 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 35 A 8.41 4.60 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 *38 R 8.28 4.09 0.00 2.05 2.06 0.00 3.54 0.00 0.00 3.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.02 0.00 39 L 9.50 4.44 0.00 1.87 1.83 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.19 4.86 0.00 1.85 1.79 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.41 7.81 41 H 8.62 5.28 0.00 2.37 3.06 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.92 4.46 0.00 2.80 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 0.00 0.00 0.00 43 G 8.72 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 0.00 0.00 0.00 44 L 8.58 4.81 0.00 1.78 1.94 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.96 4.24 0.00 1.82 1.70 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.32 7.81 46 K 7.27 4.81 0.00 1.28 0.74 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.68 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.15 1.27 7.81 47 F 8.62 5.10 0.00 3.32 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 9.93 5.30 0.00 3.44 3.12 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 49 L 9.32 5.39 0.00 1.61 1.56 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.58 5.71 0.00 4.26 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 51 T 8.17 4.78 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 1.25 0.00 0.00 52 N 8.73 5.20 0.00 2.91 2.96 0.00 0.00 5.99 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.60 3.89 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 1.23 0.00 0.00 54 S 8.34 4.64 0.00 3.81 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 55 T 8.65 4.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 56 R 7.96 3.93 0.00 1.87 1.93 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 *58 V 7.89 4.05 2.23 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 0.99 0.00 0.00 1.06 0.00 0.00 59 E 8.32 3.99 0.00 2.04 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 2.48 2.47 0.00 60 R 8.07 3.86 0.00 1.99 1.95 0.00 3.10 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 61 L 8.08 4.34 0.00 1.68 1.74 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 4.19 0.00 2.23 2.06 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 63 K 7.87 4.42 0.00 1.96 1.92 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.55 7.81 64 N 8.47 4.66 0.00 2.67 2.66 0.00 0.00 6.92 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 65 N 8.68 4.95 0.00 3.03 3.21 0.00 0.00 6.20 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.10 4.86 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.42 7.81 67 I 9.09 5.04 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.98 0.00 0.00 68 C 8.91 5.29 0.00 3.11 3.03 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 69 L 8.52 4.65 0.00 0.94 0.95 -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.00 4.81 0.00 2.75 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 71 F 8.64 4.64 0.00 2.88 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 72 V 8.40 4.12 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 0.86 0.00 0.00 1.14 0.00 0.00 73 D 8.63 4.69 0.00 2.84 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 74 D 9.01 4.70 0.00 2.73 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 75 N 8.13 5.00 0.00 2.72 2.84 0.00 0.00 6.78 6.92 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 76 K 7.40 4.39 0.00 1.87 1.78 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.41 7.81 77 F 8.78 4.50 0.00 2.92 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 78 A 7.46 4.30 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 79 G 7.86 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 0.00 0.00 0.00 80 L 7.67 5.52 0.00 1.98 1.65 1.31 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *82 L 8.23 4.71 0.00 1.86 1.95 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.85 4.89 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.42 4.52 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 0.00 0.00 0.00 85 T 7.72 5.31 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 1.30 0.00 0.00 86 I 8.43 5.29 2.03 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 1.35 1.14 0.96 0.00 0.00 87 E 8.98 4.80 0.00 2.04 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 2.21 2.30 0.00 88 I 8.48 4.14 1.73 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 1.31 0.52 0.62 0.00 0.00 89 L 8.48 4.49 0.00 1.52 1.66 1.18 1.07 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 90 H 8.66 4.37 0.00 3.15 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.84 4.62 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.60 3.85 0.00 1.88 1.96 0.00 3.18 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 93 A 7.99 3.99 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 94 S 8.19 4.22 0.00 4.00 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 95 K 7.70 4.27 0.00 1.85 1.88 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.98 1.40 7.81 96 E 8.43 4.17 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 *98 L 7.85 4.22 0.00 1.92 1.88 1.05 0.39 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 99 W 8.06 4.25 0.00 3.64 3.16 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 0.00 100 T 7.43 4.58 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 1.26 0.00 0.00 101 D 8.65 4.52 0.00 2.67 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 0.00 102 G 9.52 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 7.88 3.96 0.00 1.23 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 0.00 104 E 7.83 4.30 0.00 2.31 2.37 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 2.28 2.40 0.00 105 I 7.02 3.65 1.21 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 1.43 0.56 0.35 0.00 0.00 106 Y 7.27 4.21 0.00 1.74 2.22 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 0.00 107 Y 7.87 5.16 0.00 3.36 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 0.00 108 P 0.00 4.33 0.00 2.23 2.23 0.00 4.08 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 109 L 8.42 4.30 0.00 1.87 1.77 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.40 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 0.00 0.00 0.00 111 I 7.28 3.50 1.60 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.92 0.00 0.00 112 D 7.73 4.64 0.00 2.63 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 0.00 113 D 8.18 4.45 0.00 3.01 2.75 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 0.00 114 P 0.00 4.45 0.00 2.25 2.20 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 115 D 8.63 4.63 0.00 3.13 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 0.00 116 Y 7.64 3.84 0.00 2.26 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 0.00 117 T 8.51 4.50 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 118 A 8.24 5.14 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 0.00 119 L 9.03 5.15 0.00 1.67 1.64 1.02 0.64 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 0.00 120 C 9.26 4.88 0.00 3.08 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 0.00 121 F 9.29 5.24 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.17 4.59 4.01 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 1.03 0.00 0.00 123 A 8.16 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 0.00 124 E 9.48 4.37 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 125 W 8.12 5.44 0.00 3.17 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 0.00 126 G 8.94 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 0.00 0.00 0.00 127 N 8.29 5.21 0.00 2.64 2.56 0.00 0.00 6.45 7.56 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 0.00 128 Y 9.40 5.21 0.00 3.41 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 0.00 129 Y 8.29 4.90 0.00 2.76 2.64 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 0.00 0.00 0.00 0.00 130 R 9.03 4.52 0.00 1.40 1.68 0.00 3.39 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.45 0.00 131 H 9.18 4.29 0.00 3.39 3.39 0.00 5.91 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.49 3.85 0.00 1.83 1.81 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.04 5.00 0.00 1.66 1.65 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.59 7.81 134 N 8.51 5.32 0.00 2.30 2.12 0.00 0.00 5.87 7.81 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 0.00 135 I 8.58 4.41 1.48 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.47 0.60 0.00 0.00 136 T 8.57 5.18 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 1.23 0.00 0.00 137 F 8.85 5.28 0.00 3.18 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 0.00 138 K 8.73 4.01 0.00 1.29 1.46 0.00 1.05 0.00 0.00 1.49 0.00 0.00 2.47 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.88 0.21 7.81 139 I 8.29 3.88 1.78 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 1.36 1.27 0.98 0.00 0.00 140 D 7.73 4.50 0.00 2.51 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 0.00 141 E 7.85 4.21 0.00 2.14 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 2.29 2.14 0.00 142 I 7.55 4.08 1.71 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 1.15 0.84 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.