NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3126 8.2649 123.5972 52.0922 19.8320 176.6168 2 N 4.5541 8.3906 116.7402 50.9738 40.7570 172.8431 3 A 4.4011 8.4535 127.9011 50.6739 21.5933 175.3221 4 F 4.3046 8.6911 119.9958 58.9149 39.5181 171.2738 5 L 3.2509 7.9300 135.0000 54.0322 41.4994 174.4717 *8 L 4.2974 8.4441 122.4205 54.5982 43.6362 177.9056 9 R 4.0879 7.6507 116.0085 55.0407 30.6291 174.4243 10 P 4.4652 0.0000 0.0000 61.7278 32.1720 176.5207 11 G 3.5350 8.1930 108.7003 45.8422 0.0000 173.6865 12 S 4.2022 8.1042 116.8945 56.2409 64.0987 173.7409 13 L 3.5663 8.3043 127.5333 56.3070 41.4391 177.9509 *15 R 4.2358 7.8971 114.4469 56.0630 31.3538 176.3883 *17 C 4.9992 8.0793 113.9220 57.4258 42.0043 174.0222 18 K 4.3351 7.6777 117.6900 56.8526 31.9029 176.9540 *21 Q 4.2936 8.0548 117.5234 56.0304 29.6380 173.9183 22 C 5.0982 9.0116 118.3181 53.6828 43.8365 174.6517 23 S 4.7323 8.3357 115.9032 57.7978 65.3010 174.2428 24 F 3.0031 8.0999 118.6577 57.5154 37.3892 175.7035 *27 A 4.1222 7.9009 127.8700 51.8805 21.0159 180.6906 28 R 4.7298 7.6967 118.2416 55.4774 28.9187 178.3282 *30 I 3.8485 7.6929 118.6844 61.3714 39.0984 177.9165 31 F 4.1794 7.5594 117.1597 58.3263 38.9433 176.2119 32 K 4.2814 8.0699 123.4244 57.5138 31.1302 176.5270 33 D 4.4783 7.6580 117.0206 54.2253 43.1341 176.9499 34 A 4.0222 8.4654 127.5972 55.3875 18.8085 179.6662 35 E 3.9411 8.2604 117.3801 59.5204 29.6180 179.2323 36 R 3.7846 8.8098 118.2792 59.6886 30.3239 179.0446 37 T 3.6953 7.9118 115.4065 66.4851 68.3531 176.9015 38 K 4.2651 8.5871 120.7889 59.4768 31.9648 178.8633 39 L 3.9545 7.5634 119.1025 58.2883 42.1496 178.6972 40 F 4.1770 8.0030 120.1580 61.0209 39.3920 176.7499 41 W 3.9614 8.8336 128.4725 60.4924 30.2912 177.2979 42 I 3.6580 8.0856 117.6999 64.6097 37.4967 177.3667 43 S 4.1742 7.8302 114.8714 61.4743 62.8730 175.7776 44 Y 3.4756 6.7521 121.2470 60.0143 38.5273 177.7509 45 S 4.1085 6.9549 111.8042 57.8981 63.7583 174.9297 46 D 4.3360 8.3240 124.1373 55.1857 40.9811 175.9763 47 G 3.8165 7.6221 106.6410 45.8457 0.0000 173.0072 48 D 4.8756 8.1896 122.1634 52.7258 39.7401 176.4357 49 Q 4.2643 8.6354 125.4150 58.1763 29.1796 177.8195 50 C 4.2405 9.0818 115.2512 58.1383 40.7450 175.3204 51 A 3.5659 8.1161 123.3708 55.3906 17.8129 178.5998 52 S 4.2260 7.9469 106.6513 58.4061 63.7447 174.3187 53 S 3.6081 8.3228 116.5437 59.4428 60.2313 170.0744 54 P 4.2618 0.0000 0.0000 65.3800 32.1043 179.1925 55 C 4.4608 7.8458 115.5646 56.8699 41.2986 172.7576 56 Q 4.4623 8.6298 122.3884 54.2447 31.2613 174.7231 57 N 3.9093 9.4426 112.8712 54.5020 35.8116 175.5609 58 G 3.7951 8.3192 102.0599 45.5792 0.0000 174.2132 59 G 3.9577 7.5818 106.8598 45.9111 0.0000 173.6657 60 S 4.8153 8.7318 115.2694 56.6518 66.0122 173.0732 61 C 5.0134 8.8625 125.2354 55.7662 44.7518 172.7013 62 K 4.5406 8.9527 126.1642 54.3298 34.3460 174.8641 63 D 4.9253 8.7634 127.7156 54.8159 42.5717 175.0187 64 Q 4.5048 8.8246 122.3470 53.9199 33.0408 175.6862 65 L 4.2412 8.1386 117.9767 55.5116 39.8791 177.1653 66 Q 3.5241 8.8136 125.9951 56.2180 26.3211 173.3494 67 S 4.6047 7.6031 110.9009 58.8817 65.1544 174.4248 68 Y 5.3933 7.5753 117.2728 56.2537 41.0507 174.0892 69 I 4.7054 8.9514 119.7804 59.8320 41.2068 173.8700 70 C 5.5376 9.0467 123.7872 55.4792 38.1425 173.3965 71 F 4.5822 9.4043 123.1374 56.1980 39.7806 175.0309 72 C 5.0125 8.6719 121.3526 56.0086 42.5438 173.6160 73 L 4.5997 8.7700 119.6562 53.9358 42.4718 176.9926 74 P 4.0067 0.0000 0.0000 64.6343 31.6843 177.5025 75 A 4.1852 7.8297 116.6784 52.2686 18.8341 175.9089 76 F 5.9591 8.1011 115.0313 56.2069 43.4057 173.9268 77 E 4.6689 8.8150 119.4550 54.9119 34.5238 175.1983 78 G 4.2751 9.0897 105.5928 45.4268 0.0000 174.4293 79 R 3.8551 8.5112 120.2015 58.7952 30.1311 177.0446 80 N 5.0270 8.5315 113.7042 52.8241 39.2756 174.1983 81 C 4.4930 8.3887 113.2160 58.0836 38.2778 173.7113 82 E 4.3195 8.2999 114.7193 56.8955 29.5842 175.9524 83 T 4.5819 8.1435 117.8000 62.3227 70.3338 173.0725 84 H 4.8756 8.9868 124.3550 54.5771 29.2269 175.4363 85 K 4.0848 8.4814 125.8678 59.6198 31.9921 178.9872 86 D 4.6450 7.9696 114.4555 55.5621 40.4657 176.0477 87 D 4.9761 7.8833 118.0860 54.3354 41.4387 176.2669 88 Q 4.5538 7.9393 115.8310 55.7926 29.6000 176.9649 89 L 4.3141 7.7730 119.7169 54.7990 40.5489 174.9789 90 I 4.6077 7.0088 114.5092 58.8434 41.0868 177.9817 91 C 4.4888 8.9726 118.2825 59.6908 40.1408 176.9115 92 V 3.2919 7.7295 118.1220 63.6282 31.5129 175.6157 93 N 4.4812 8.0626 119.5624 52.7307 38.1239 174.1857 94 E 3.6925 9.0909 129.1945 58.3300 27.2460 174.6846 95 N 4.4439 8.3126 108.5564 53.2122 37.9586 174.1887 96 G 4.2970 8.8157 100.6404 45.5577 0.0000 175.3310 97 G 3.8985 8.7759 105.5765 45.7662 0.0000 174.0067 98 C 4.5428 8.0325 117.0599 56.2449 39.9066 173.8130 99 E 3.9589 9.1939 124.3498 58.3611 30.5486 177.7680 100 Q 4.4255 8.0531 111.9799 56.0977 30.7815 176.1377 101 Y 4.9561 5.6090 120.4603 57.7595 40.7836 174.7876 102 C 5.4886 8.8179 122.1595 54.9548 48.2025 173.3335 103 S 4.6178 9.1451 120.9653 56.6128 65.8586 173.5805 104 D 4.7184 8.6787 124.6763 54.9971 41.4975 176.6792 105 H 4.7542 8.5989 118.0989 54.6496 32.2767 172.6938 106 T 3.8418 8.6437 114.2741 64.2249 68.3302 173.1284 107 G 4.2654 9.0361 121.5624 45.8254 0.0000 173.5604 108 T 4.2174 6.8418 113.1334 60.1948 68.6639 173.6423 109 K 4.5388 8.1896 122.0631 56.0274 33.8924 176.8545 110 R 4.5479 8.4825 117.5598 56.1704 30.6929 175.6731 111 S 4.9861 8.8807 114.5227 56.8586 66.2464 172.1344 112 C 5.5230 8.7335 117.9560 55.4448 43.9394 173.4059 113 R 4.8084 9.1681 121.7849 54.6004 34.0457 173.3980 114 C 5.1056 8.4667 116.1026 55.2467 38.6296 173.7811 115 H 4.5531 9.3793 120.6989 55.0014 30.3145 174.2473 116 E 4.1584 8.1707 123.8127 57.7657 30.0037 177.3066 117 G 3.9326 9.2869 112.5759 45.3091 0.0000 172.0832 118 Y 5.2725 7.6330 115.3630 56.1043 41.8954 174.8977 119 S 4.7439 9.1336 115.7251 56.3414 66.2232 172.6258 120 L 4.6850 8.5361 128.6237 54.5970 42.6161 176.4804 121 L 4.3940 9.0331 126.8843 54.0829 42.7244 178.1593 122 A 4.0075 8.6675 122.7935 55.1966 18.7082 178.7207 123 D 4.3667 8.0688 114.8857 54.5257 39.5231 178.2639 124 G 4.0905 8.2478 107.9005 45.6518 0.0000 174.2238 125 V 4.4222 7.6645 109.7557 60.8792 34.7490 175.8146 126 S 5.1772 8.9990 116.8161 56.6291 65.2401 172.5851 127 C 5.5530 8.6966 117.8731 55.5559 42.0836 173.5864 128 T 4.8994 8.7767 117.8074 59.3525 70.2144 171.5597 129 P 4.5490 0.0000 0.0000 63.0178 31.7625 176.2448 130 T 4.5221 8.8962 111.6407 61.3561 70.1541 173.6887 131 V 4.4113 7.3539 114.1466 59.1643 35.0325 175.0643 132 E 3.8615 8.4345 120.8500 58.6284 29.9666 176.3411 133 Y 4.8945 7.2525 114.8342 55.4444 38.7305 172.7839 134 P 4.3015 0.0000 0.0000 61.9019 32.6871 176.9547 135 C 4.2147 8.5640 116.0413 59.9605 29.6885 174.4508 136 G 4.0007 8.8907 107.9711 45.5497 0.0000 173.5147 137 K 4.6717 7.4627 117.7755 54.6701 34.6758 176.6771 138 I 4.3326 7.7388 123.3787 59.0545 36.8105 175.4337 139 P 4.1846 0.0000 0.0000 65.4176 31.6714 178.2238 140 I 3.9868 7.7452 106.9750 61.5848 37.1653 175.9717 141 L 4.7195 8.5022 119.4563 54.3956 43.5936 176.4181 142 E 4.2532 8.0769 123.2322 56.3811 29.5193 175.7287 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 A 8.26 4.31 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 2 N 8.39 4.55 0.00 2.77 2.74 0.00 0.00 6.92 6.46 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 3 A 8.45 4.40 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.69 4.30 0.00 2.95 3.05 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 5 L 7.93 3.25 0.00 1.36 1.34 0.60 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 8.44 4.30 0.00 1.78 1.70 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.65 4.09 0.00 1.75 1.81 0.00 3.18 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 10 P 0.00 4.47 0.00 1.98 1.95 0.00 3.64 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 1.98 2.04 0.00 11 G 8.19 3.54 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 12 S 8.10 4.20 0.00 3.71 3.66 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 13 L 8.30 3.57 0.00 1.33 1.43 0.29 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.90 4.24 0.00 1.82 1.93 0.00 3.31 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 *17 C 8.08 5.00 0.00 3.15 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 18 K 7.68 4.34 0.00 1.76 1.89 0.00 1.85 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.61 7.81 *21 Q 8.05 4.29 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 22 C 9.01 5.10 0.00 3.19 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 23 S 8.34 4.73 0.00 4.09 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 24 F 8.10 3.00 0.00 2.18 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 *27 A 7.90 4.12 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 28 R 7.70 4.73 0.00 1.45 1.73 0.00 3.20 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 *30 I 7.69 3.85 1.32 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.12 0.00 0.00 31 F 7.56 4.18 0.00 2.97 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 32 K 8.07 4.28 0.00 1.94 1.97 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.48 7.81 33 D 7.66 4.48 0.00 2.77 2.57 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 34 A 8.47 4.02 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 35 E 8.26 3.94 0.00 2.11 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 0.00 2.39 2.48 0.00 36 R 8.81 3.78 0.00 1.98 1.83 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.99 0.00 37 T 7.91 3.70 4.31 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 0.66 0.00 0.00 38 K 8.59 4.27 0.00 2.02 1.98 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.89 7.81 39 L 7.56 3.95 0.00 1.74 1.82 0.93 0.78 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 40 F 8.00 4.18 0.00 2.63 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 41 W 8.83 3.96 0.00 3.87 3.41 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 42 I 8.09 3.66 2.04 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 1.51 0.95 0.92 0.00 0.00 43 S 7.83 4.17 0.00 3.74 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 44 Y 6.75 3.48 0.00 1.69 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 0.00 0.00 0.00 0.00 45 S 6.95 4.11 0.00 3.70 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 46 D 8.32 4.34 0.00 2.84 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 47 G 7.62 3.82 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 0.00 0.00 0.00 48 D 8.19 4.88 0.00 2.66 2.54 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 49 Q 8.64 4.26 0.00 2.48 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 50 C 9.08 4.24 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.12 3.57 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.95 4.23 0.00 3.93 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 53 S 8.32 3.61 0.00 3.86 3.82 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 54 P 0.00 4.26 0.00 1.72 1.74 0.00 3.50 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.00 55 C 7.85 4.46 0.00 2.95 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 56 Q 8.63 4.46 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.20 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 57 N 9.44 3.91 0.00 1.44 1.42 0.00 0.00 6.96 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 58 G 8.32 3.80 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 0.00 0.00 0.00 59 G 7.58 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.73 4.82 0.00 3.78 3.67 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 61 C 8.86 5.01 0.00 2.92 2.92 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 62 K 8.95 4.54 0.00 1.85 1.97 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.48 7.81 63 D 8.76 4.93 0.00 3.02 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 64 Q 8.82 4.50 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 65 L 8.14 4.24 0.00 1.62 1.64 0.91 1.07 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 66 Q 8.81 3.52 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 67 S 7.60 4.60 0.00 3.85 3.91 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 0.00 0.00 0.00 68 Y 7.58 5.39 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 69 I 8.95 4.71 2.10 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 1.21 1.07 0.84 0.00 0.00 70 C 9.05 5.54 0.00 3.02 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 71 F 9.40 4.58 0.00 2.91 3.06 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 0.00 0.00 0.00 72 C 8.67 5.01 0.00 3.03 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 73 L 8.77 4.60 0.00 2.02 1.71 1.03 1.05 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 74 P 0.00 4.01 0.00 2.03 2.07 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 75 A 7.83 4.19 0.71 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 0.00 0.00 76 F 8.10 5.96 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.81 4.67 0.00 1.89 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 2.30 2.32 0.00 78 G 9.09 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 0.00 0.00 0.00 0.00 79 R 8.51 3.86 0.00 1.77 2.03 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 80 N 8.53 5.03 0.00 2.83 2.94 0.00 0.00 6.95 7.07 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 81 C 8.39 4.49 0.00 3.13 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 82 E 8.30 4.32 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 83 T 8.14 4.58 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 1.27 0.00 0.00 84 H 8.99 4.88 0.00 3.19 3.31 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.48 4.08 0.00 1.70 1.79 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.36 7.81 86 D 7.97 4.65 0.00 2.63 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 87 D 7.88 4.98 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.94 4.55 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.66 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 89 L 7.77 4.31 0.00 1.58 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.01 4.61 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 1.61 0.76 0.91 0.00 0.00 91 C 8.97 4.49 0.00 3.19 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 92 V 7.73 3.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 93 N 8.06 4.48 0.00 2.81 3.00 0.00 0.00 7.34 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 94 E 9.09 3.69 0.00 2.15 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 2.30 2.21 0.00 95 N 8.31 4.44 0.00 2.91 2.79 0.00 0.00 7.58 7.90 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 96 G 8.82 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.78 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 98 C 8.03 4.54 0.00 3.05 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 99 E 9.19 3.96 0.00 2.02 1.88 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 2.20 2.23 0.00 100 Q 8.05 4.43 0.00 1.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.62 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 101 Y 5.61 4.96 0.00 2.95 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 0.00 102 C 8.82 5.49 0.00 3.06 2.92 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 0.00 103 S 9.15 4.62 0.00 3.71 3.60 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 0.00 104 D 8.68 4.72 0.00 2.51 2.57 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 0.00 105 H 8.60 4.75 0.00 3.21 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.64 3.84 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 0.00 107 G 9.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 6.84 4.22 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 1.25 0.00 0.00 109 K 8.19 4.54 0.00 1.81 1.81 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 110 R 8.48 4.55 0.00 1.93 1.97 0.00 3.05 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 111 S 8.88 4.99 0.00 3.96 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 0.00 112 C 8.73 5.52 0.00 3.02 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 0.00 113 R 9.17 4.81 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 114 C 8.47 5.11 0.00 2.80 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 0.00 115 H 9.38 4.55 0.00 2.70 3.00 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.17 4.16 0.00 1.97 1.85 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 2.33 2.34 0.00 117 G 9.29 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 0.00 118 Y 7.63 5.27 0.00 3.01 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 0.00 119 S 9.13 4.74 0.00 3.84 3.66 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 0.00 120 L 8.54 4.69 0.00 1.69 1.58 0.97 1.09 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 0.00 121 L 9.03 4.39 0.00 1.75 1.60 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.67 4.01 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 0.00 123 D 8.07 4.37 0.00 2.87 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 0.00 124 G 8.25 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.66 4.42 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 0.72 0.00 0.00 1.04 0.00 0.00 126 S 9.00 5.18 0.00 3.85 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 0.00 127 C 8.70 5.55 0.00 2.71 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 0.00 128 T 8.78 4.90 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 1.28 0.00 0.00 129 P 0.00 4.55 0.00 1.85 1.69 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 130 T 8.90 4.52 4.20 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 1.26 0.00 0.00 131 V 7.35 4.41 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 0.67 0.00 0.00 0.82 0.00 0.00 132 E 8.43 3.86 0.00 1.68 1.68 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 1.47 1.72 0.00 133 Y 7.25 4.89 0.00 2.95 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 0.00 134 P 0.00 4.30 0.00 1.37 1.58 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.69 0.00 135 C 8.56 4.21 0.00 3.14 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 0.00 136 G 8.89 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 0.00 137 K 7.46 4.67 0.00 1.93 1.76 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.51 1.59 7.81 138 I 7.74 4.33 1.89 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 1.43 0.96 0.92 0.00 0.00 139 P 0.00 4.18 0.00 2.27 2.24 0.00 3.63 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 140 I 7.75 3.99 1.88 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 1.43 0.54 0.93 0.00 0.00 141 L 8.50 4.72 0.00 1.73 1.70 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.08 4.25 0.00 1.99 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 2.44 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.