NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6854 8.3649 120.5334 54.5138 42.3041 174.6074 3 Q 4.3993 8.4527 119.5304 53.9817 32.7728 172.8449 4 L 3.8757 8.1301 120.9485 54.8877 42.8643 177.0622 5 T 4.7210 8.3678 113.1425 59.1192 72.9517 174.5023 6 E 4.0461 8.8421 122.2244 59.5667 29.3494 179.7205 7 E 4.1529 7.9946 117.7662 58.7398 30.0909 177.9198 8 Q 3.8116 8.1630 119.9278 59.3814 29.0462 178.4801 9 I 3.9224 8.3885 120.4954 64.6937 37.1666 178.0310 10 A 4.0836 7.6831 119.8736 55.7876 18.1571 178.4737 11 E 3.7792 8.8336 117.7254 59.7869 29.5074 178.7782 12 F 4.7133 8.4811 117.1023 60.9171 39.2715 177.6867 13 K 3.8595 8.9858 119.3388 59.7162 31.7032 177.9544 14 E 3.8681 8.2901 117.7601 59.3842 29.8428 178.0741 15 A 4.1023 8.2088 120.4141 55.3833 18.2988 178.9746 16 F 3.8396 9.0788 119.0228 61.8316 39.2856 177.3510 17 S 4.3433 8.5346 110.2756 60.3820 62.2334 175.3525 18 L 3.9094 7.8764 121.1487 56.1838 42.3828 176.9020 19 F 5.1028 7.1544 114.8256 57.0640 39.1698 176.6947 20 D 4.8867 7.3337 119.2436 51.1871 41.2198 175.1095 21 K 3.4487 9.4750 118.5280 59.1829 32.8661 178.4644 22 D 4.3899 8.0798 122.7641 56.2868 40.5231 179.2661 23 G 3.8978 8.5715 106.4796 45.4005 0.0000 173.6013 24 D 4.5482 8.0964 121.1709 54.9846 41.6577 177.4626 25 G 4.4579 8.5215 107.8646 45.8087 0.0000 174.1370 26 T 4.9330 7.5270 110.2665 57.4646 68.7048 172.7016 27 I 3.6999 7.8688 130.3537 62.6632 38.7018 175.3396 28 T 4.5308 8.3023 116.5535 60.6064 70.3332 175.4870 29 T 3.8490 7.9002 114.0467 65.5403 67.0672 176.1706 30 K 3.8433 7.8907 119.6551 59.5254 32.4369 178.9662 31 E 3.9845 8.1938 118.5747 58.9009 29.0665 179.5470 32 L 3.8740 7.7070 120.1869 57.9902 42.3409 178.4628 33 G 3.8978 7.2669 103.8969 48.4020 0.0000 175.0938 34 T 3.9105 7.6231 117.8931 66.1508 68.5851 177.0452 35 V 3.8512 7.4575 117.0850 63.8399 31.3622 177.7270 *37 R 5.0372 7.9078 117.6918 56.0964 31.7457 177.3530 38 S 4.3873 7.9502 109.6872 59.9856 62.3075 174.0927 39 L 4.7868 7.5366 115.3730 55.2182 42.9194 177.1827 40 G 4.0034 8.8164 106.1106 45.3696 0.0000 173.7565 41 Q 4.8220 7.8562 117.9144 53.9308 31.8076 174.3595 42 N 4.8095 8.2369 116.8256 49.7181 36.9575 171.4685 43 P 4.3123 0.0000 0.0000 63.6174 32.3957 178.0417 44 T 4.0544 8.4624 113.8474 61.3551 70.5498 175.0873 45 E 3.8019 8.9159 123.4102 59.4708 29.6943 179.0996 46 A 4.2115 7.8305 119.9432 55.0058 18.9088 178.9431 47 E 4.0492 8.8166 117.5802 59.7881 29.2711 179.5922 48 L 4.0451 8.0126 119.5485 57.7643 41.0914 178.5054 49 Q 4.1331 8.4854 120.2357 58.6726 29.5621 177.8311 50 D 4.7630 7.3090 120.6484 54.7097 38.3775 177.0000 *52 I 4.1163 7.8501 120.6825 60.4556 40.0135 177.7854 53 N 4.5560 7.7130 122.5753 56.2292 36.9181 175.7224 54 E 3.5487 7.1873 116.1134 59.5200 30.3087 176.8555 55 V 4.1045 7.0267 122.5890 61.7531 32.0721 178.2115 56 D 4.6064 7.2874 116.0052 54.2895 42.7604 174.2227 57 A 4.4054 8.1477 122.1899 51.6596 18.9243 177.7704 58 D 4.7304 7.9880 114.1046 52.7218 40.8308 176.2790 59 G 4.4165 7.7659 104.8900 46.9785 0.0000 172.4350 60 N 4.5538 8.5072 117.9595 53.6646 40.7838 175.3302 61 G 4.3501 8.5208 112.3661 46.0600 0.0000 173.6058 62 T 4.5814 7.3673 109.3918 60.7048 70.2815 173.0260 63 I 4.6036 9.0105 123.2733 59.3213 41.1183 173.7934 64 D 4.9040 8.8240 128.0839 53.4520 42.4056 176.5812 65 F 3.2132 9.2275 127.8413 61.0936 39.2983 175.8627 66 P 3.9339 0.0000 0.0000 65.5953 30.9003 178.3477 67 E 4.2344 7.9080 117.0662 58.7888 29.4980 178.6563 68 F 4.3555 8.2029 119.7958 61.4279 39.5842 176.5166 69 L 3.2580 7.6963 119.5764 57.4929 42.8796 178.5548 70 T 3.9629 7.1246 116.6297 62.3391 65.2004 174.3812 *73 A 4.1607 7.7488 125.6545 51.9773 20.2863 178.2538 74 R 4.0010 6.8569 114.4294 57.2286 30.7698 176.1063 75 K 3.6318 7.7673 121.4823 57.0320 33.3417 177.8114 *77 K 4.3638 7.9846 114.4067 55.8165 33.4597 175.2856 78 D 4.7841 7.9396 115.2949 54.0016 44.8530 176.2579 79 T 4.2136 7.8754 115.8762 63.2871 69.5152 173.5129 80 D 4.7545 8.1193 123.0857 52.2419 42.3596 174.9056 81 S 4.1917 8.6425 111.9015 61.5676 64.3560 176.7958 82 E 3.6976 8.7264 112.7303 60.1505 29.2270 180.1669 83 E 3.8310 9.0520 124.8377 59.8722 31.1226 178.4518 84 E 4.0802 7.8712 120.1330 59.1899 29.5410 178.8250 85 I 3.8811 8.1070 119.2445 64.2331 37.4963 178.2032 86 R 4.1924 8.5923 119.8513 59.6585 29.9281 178.0579 87 E 3.9634 8.7126 118.4799 59.7131 29.5315 179.0690 88 A 3.9633 7.6270 118.8479 55.6911 18.4565 179.7313 89 F 4.5804 8.1603 114.5612 59.6571 38.7825 176.8085 90 R 4.4982 8.0740 117.3670 56.9691 30.1316 177.4045 91 V 3.7514 8.1707 117.5581 65.9542 31.6746 176.5170 92 F 4.3921 7.8234 114.2623 58.5904 39.4331 176.0439 93 D 4.7513 7.7255 122.1569 52.4040 39.5145 176.2845 94 K 3.9960 8.2131 122.6356 59.1598 32.8604 178.2881 95 D 4.4335 8.2162 116.8155 57.7176 39.1968 176.9560 96 G 3.9150 7.9084 107.3972 44.5864 0.0000 174.4716 97 N 4.1431 8.9444 118.2704 55.6173 36.9888 175.7431 98 G 3.8957 8.2018 103.8860 45.0180 0.0000 172.6930 99 Y 4.8100 7.8416 117.6108 55.9853 39.9731 175.2903 100 I 4.3848 8.2692 117.9803 59.1119 40.2372 175.6791 101 S 4.4055 8.3964 114.1134 57.2153 61.9563 173.5419 102 A 3.5395 8.6589 132.2798 55.0831 17.9826 178.8667 103 A 3.9650 7.8830 118.7287 55.4564 18.8095 179.3826 104 E 3.9672 9.1658 118.1108 59.6684 29.4120 179.5517 105 L 3.2399 8.5534 119.9924 57.5381 42.0108 178.9205 106 R 3.9724 7.3074 118.3096 59.7616 30.3516 177.4090 107 H 4.3255 8.1921 117.9666 59.3069 29.7927 177.0016 108 V 3.5023 7.6388 117.4095 64.8223 31.6739 177.3875 *110 T 4.4751 7.7029 107.3387 61.4401 70.9454 174.4391 111 N 4.5158 8.9640 120.8841 55.5168 39.4135 175.8958 112 L 4.4285 7.6058 116.3176 55.1258 42.1641 176.9736 113 G 3.9239 7.9455 105.6690 46.7539 0.0000 174.8596 114 E 4.3489 8.0944 118.8655 58.3568 30.4732 178.2960 115 K 3.9145 7.3281 115.3756 58.6040 32.2767 176.7759 116 L 5.0085 7.2738 115.5891 52.8663 44.5456 176.0569 117 T 4.7151 8.2404 109.5385 59.0899 73.1392 174.2915 118 D 4.7658 8.6916 122.5663 58.1708 41.0428 179.1672 119 E 4.1036 8.2729 118.6628 59.3558 29.1950 178.7684 120 E 3.9596 7.5221 117.7133 59.0479 29.8378 178.5352 121 V 3.5773 8.3973 118.0446 66.2548 31.7187 177.5740 122 D 4.4875 8.6230 118.7618 57.0233 40.3091 179.3333 123 E 3.7436 7.8308 117.7909 56.7342 29.9691 178.4734 *125 I 4.3458 7.8037 120.1214 61.0458 39.1540 178.1553 126 R 3.9101 7.8295 118.6789 59.2475 30.1909 177.6516 127 E 3.9961 7.9449 116.6472 58.9184 29.8925 177.6555 128 A 4.2605 7.1644 118.6646 52.8998 18.8104 177.4613 129 D 4.6234 8.4386 121.8781 53.2347 39.7405 175.2271 130 I 4.2845 7.8035 124.0839 60.1065 38.6058 175.8301 131 D 4.7674 8.5100 124.4087 51.5832 41.5583 177.2755 132 G 3.6827 8.7136 107.3098 49.1894 0.0000 174.5285 133 D 4.3589 8.0782 116.8717 54.9171 40.9866 177.2283 134 G 3.8098 8.0395 108.3725 44.9171 0.0000 174.3307 135 Q 4.1591 8.0852 119.7143 56.1611 29.3104 175.8618 136 V 4.5532 7.6419 118.6803 59.1691 34.2072 175.0222 137 N 4.2573 8.3664 120.2254 52.9243 38.3335 174.8800 138 Y 3.3355 8.2378 127.4144 59.9150 37.6681 178.4049 139 E 3.9935 7.3979 120.0870 59.2783 29.3056 178.6263 140 E 3.8752 8.4523 118.8509 59.5622 29.5957 179.1026 141 F 4.7341 7.8023 116.1306 60.5787 39.0891 177.5825 142 V 3.8725 7.6420 116.7043 65.4911 32.8811 175.9449 143 Q 4.1141 8.4458 121.8027 56.3242 26.6904 176.5677 *146 T 4.1359 7.7226 113.0884 61.5364 69.1779 174.7702 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 D 8.36 4.69 0.00 2.69 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 3 Q 8.45 4.40 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 4 L 8.13 3.88 0.00 1.65 1.66 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.37 4.72 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 1.29 0.00 0.00 6 E 8.84 4.05 0.00 2.03 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 0.00 2.43 2.46 0.00 7 E 7.99 4.15 0.00 1.98 1.94 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 2.34 2.34 0.00 8 Q 8.16 3.81 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 9 I 8.39 3.92 2.04 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 1.58 0.46 1.10 0.00 0.00 10 A 7.68 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 3.78 0.00 2.06 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 0.00 2.09 2.32 0.00 12 F 8.48 4.71 0.00 3.51 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 13 K 8.99 3.86 0.00 1.93 2.03 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.20 1.26 7.81 14 E 8.29 3.87 0.00 1.98 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 0.00 2.32 2.38 0.00 15 A 8.21 4.10 1.65 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 0.00 0.00 16 F 9.08 3.84 0.00 3.51 3.53 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 17 S 8.53 4.34 0.00 3.95 4.04 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 18 L 7.88 3.91 0.00 1.23 0.23 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.15 5.10 0.00 2.98 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 20 D 7.33 4.89 0.00 2.32 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 9.47 3.45 0.00 1.73 1.68 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.43 7.81 22 D 8.08 4.39 0.00 2.79 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 23 G 8.57 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 24 D 8.10 4.55 0.00 2.89 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 25 G 8.52 4.46 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 0.00 26 T 7.53 4.93 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 1.28 0.00 0.00 27 I 7.87 3.70 1.50 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.72 0.00 0.00 28 T 8.30 4.53 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 1.23 0.00 0.00 29 T 7.90 3.85 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 1.20 0.00 0.00 30 K 7.89 3.84 0.00 1.78 1.79 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 31 E 8.19 3.98 0.00 2.15 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 2.50 2.30 0.00 32 L 7.71 3.87 0.00 1.71 1.84 1.01 1.04 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 33 G 7.27 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 34 T 7.62 3.91 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 0.42 0.00 0.00 35 V 7.46 3.85 2.19 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 1.20 0.00 0.00 1.05 0.00 0.00 *37 R 7.91 5.04 0.00 1.89 1.98 0.00 3.40 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 38 S 7.95 4.39 0.00 4.13 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.54 4.79 0.00 1.87 1.73 1.38 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.82 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 41 Q 7.86 4.82 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 42 N 8.24 4.81 0.00 2.78 2.95 0.00 0.00 6.09 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 43 P 0.00 4.31 0.00 2.22 2.15 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 44 T 8.46 4.05 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 1.28 0.00 0.00 45 E 8.92 3.80 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 46 A 7.83 4.21 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 47 E 8.82 4.05 0.00 2.19 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 2.34 2.34 0.00 48 L 8.01 4.05 0.00 1.82 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.49 4.13 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 50 D 7.31 4.76 0.00 2.63 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 *52 I 7.85 4.12 1.99 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 1.75 1.14 0.92 0.00 0.00 53 N 7.71 4.56 0.00 2.96 2.99 0.00 0.00 7.06 7.54 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 54 E 7.19 3.55 0.00 2.16 1.89 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 2.33 2.27 0.00 55 V 7.03 4.10 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 0.92 0.00 0.00 56 D 7.29 4.61 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.15 4.41 1.27 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 58 D 7.99 4.73 0.00 2.72 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 59 G 7.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 4.55 0.00 2.90 2.85 0.00 0.00 7.48 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 61 G 8.52 4.35 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 0.00 62 T 7.37 4.58 4.43 0.00 0.00 0.00 0.00 0.00 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 63 I 9.01 4.60 1.94 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.84 1.02 0.00 0.00 64 D 8.82 4.90 0.00 3.23 2.52 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 65 F 9.23 3.21 0.00 2.48 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 66 P 0.00 3.93 0.00 2.18 2.07 0.00 3.64 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 2.16 2.28 0.00 67 E 7.91 4.23 0.00 2.17 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 2.32 2.25 0.00 68 F 8.20 4.36 0.00 3.01 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 69 L 7.70 3.26 0.00 0.80 1.42 0.71 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.12 3.96 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 1.13 0.00 0.00 *73 A 7.75 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 6.86 4.00 0.00 1.75 1.81 0.00 3.16 0.00 0.00 3.11 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 75 K 7.77 3.63 0.00 1.77 1.77 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 *77 K 7.98 4.36 0.00 1.78 1.93 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 78 D 7.94 4.78 0.00 2.74 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 79 T 7.88 4.21 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 1.25 0.00 0.00 80 D 8.12 4.75 0.00 2.84 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 81 S 8.64 4.19 0.00 3.89 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 82 E 8.73 3.70 0.00 2.26 1.77 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 2.36 2.38 0.00 83 E 9.05 3.83 0.00 2.23 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 2.62 2.45 0.00 84 E 7.87 4.08 0.00 2.37 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 2.40 0.00 85 I 8.11 3.88 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 1.13 0.00 0.00 86 R 8.59 4.19 0.00 1.85 2.09 0.00 3.33 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 87 E 8.71 3.96 0.00 2.16 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 2.51 2.65 0.00 88 A 7.63 3.96 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 89 F 8.16 4.58 0.00 3.38 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 90 R 8.07 4.50 0.00 2.01 2.05 0.00 3.44 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 91 V 8.17 3.75 1.87 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 0.60 0.00 0.00 0.95 0.00 0.00 92 F 7.82 4.39 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.73 4.75 0.00 2.85 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 94 K 8.21 4.00 0.00 1.82 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.63 7.81 95 D 8.22 4.43 0.00 2.81 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 96 G 7.91 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.94 4.14 0.00 2.89 3.18 0.00 0.00 7.14 7.03 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 98 G 8.20 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 99 Y 7.84 4.81 0.00 3.34 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 0.00 100 I 8.27 4.38 2.06 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 1.45 0.58 1.16 0.00 0.00 101 S 8.40 4.41 0.00 3.97 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 0.00 102 A 8.66 3.54 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 0.00 103 A 7.88 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.17 3.97 0.00 2.14 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 2.42 2.39 0.00 105 L 8.55 3.24 0.00 1.05 1.62 0.38 1.16 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 0.00 106 R 7.31 3.97 0.00 2.10 1.99 0.00 3.33 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 107 H 8.19 4.33 0.00 3.30 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.64 3.50 2.35 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 1.10 0.00 0.00 1.21 0.00 0.00 *110 T 7.70 4.48 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 1.25 0.00 0.00 111 N 8.96 4.52 0.00 2.82 2.89 0.00 0.00 6.74 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.61 4.43 0.00 1.54 1.75 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.95 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.09 4.35 0.00 2.21 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 2.33 2.37 0.00 115 K 7.33 3.91 0.00 1.81 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.41 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.73 7.81 116 L 7.27 5.01 0.00 1.60 1.50 0.83 0.73 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 0.00 117 T 8.24 4.72 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 1.25 0.00 0.00 118 D 8.69 4.77 0.00 2.76 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 0.00 119 E 8.27 4.10 0.00 2.01 1.95 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 2.36 2.40 0.00 120 E 7.52 3.96 0.00 2.23 1.94 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 2.31 2.28 0.00 121 V 8.40 3.58 2.17 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 0.75 0.00 0.00 0.86 0.00 0.00 122 D 8.62 4.49 0.00 2.81 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 0.00 123 E 7.83 3.74 0.00 2.20 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 2.30 2.34 0.00 *125 I 7.80 4.35 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.03 1.13 0.00 0.00 126 R 7.83 3.91 0.00 1.97 1.95 0.00 3.13 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 127 E 7.94 4.00 0.00 1.99 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 2.36 2.29 0.00 128 A 7.16 4.26 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.62 0.00 2.66 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 0.00 130 I 7.80 4.28 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.68 1.02 0.00 0.00 131 D 8.51 4.77 0.00 2.81 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 0.00 132 G 8.71 3.68 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 0.00 0.00 0.00 133 D 8.08 4.36 0.00 2.79 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 0.00 134 G 8.04 3.81 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 0.00 0.00 0.00 135 Q 8.09 4.16 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 136 V 7.64 4.55 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 0.45 0.00 0.00 0.65 0.00 0.00 137 N 8.37 4.26 0.00 2.63 2.73 0.00 0.00 6.73 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 0.00 138 Y 8.24 3.34 0.00 3.13 3.19 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 0.00 139 E 7.40 3.99 0.00 1.86 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 2.02 2.20 0.00 140 E 8.45 3.88 0.00 1.72 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 2.24 2.43 0.00 141 F 7.80 4.73 0.00 3.23 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 0.00 142 V 7.64 3.87 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.15 0.00 0.00 143 Q 8.45 4.11 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.32 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 *146 T 7.72 4.14 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 1.34 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.