NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 V 4.0300 8.0544 114.0562 61.2201 33.0042 173.9816 15 E 4.2857 8.3903 122.4634 53.6046 30.5091 173.6922 16 P 4.3146 0.0000 0.0000 62.4346 32.9948 175.6742 17 A 4.5225 8.2979 123.6251 50.8062 18.8726 176.1104 18 R 4.6062 8.1931 120.7073 55.5665 31.8952 175.9967 19 I 5.0519 8.1845 122.3465 59.7243 40.7452 174.7312 20 T 4.8294 8.9502 115.9518 59.8359 72.3137 172.5190 21 L 5.2939 8.4420 123.3984 53.8333 45.6075 175.4176 22 T 4.7737 9.0386 121.5734 61.8619 72.2082 172.1010 23 Y 5.0994 8.7078 126.6058 55.7664 41.4914 173.7650 24 K 4.4332 8.4293 129.2100 54.3055 34.0040 175.4405 25 E 4.0557 8.6883 127.3232 56.8347 30.3053 177.5033 26 G 4.1394 8.3065 110.2168 44.9875 0.0000 173.3678 27 A 4.3646 8.4469 122.2039 50.8602 19.1565 175.9805 28 P 4.3435 0.0000 0.0000 63.0118 31.9519 176.1294 29 I 4.3795 8.0893 122.0758 59.6288 38.9114 175.2584 30 T 4.5779 8.0304 114.3655 59.3914 70.9523 173.9970 31 I 3.7236 8.1831 126.0980 61.6040 37.9584 175.7512 32 M 4.3739 8.5611 126.5869 54.2248 33.5131 177.4495 *33 D 4.4471 8.6410 118.4822 56.3732 39.6577 175.7581 34 N 4.5559 7.9293 113.4276 53.2334 38.3193 175.8433 35 G 4.0645 8.2767 107.7069 45.3003 0.0000 172.6902 36 N 5.0127 8.4690 117.5951 51.2063 40.4601 174.6337 37 I 4.2463 7.7061 114.4968 59.5566 39.0786 175.3038 38 D 4.3307 8.1890 121.1000 54.6680 41.6605 175.6949 39 T 4.3268 8.0714 118.4118 61.6476 68.7057 173.9774 40 E 3.8357 8.6209 121.5341 56.9291 27.8415 174.9344 41 L 4.0362 7.6589 119.9494 54.7196 42.8157 176.5010 42 L 4.3682 8.4793 125.7741 54.7512 41.4791 176.3830 43 V 3.7197 9.0855 128.2892 65.0708 32.7711 175.7068 44 G 4.3298 7.2097 105.1121 46.5437 0.0000 171.7360 45 T 5.1043 7.8998 115.9974 61.5420 72.0933 173.4695 46 L 5.2782 9.0664 126.4199 53.3806 44.5322 175.4444 47 T 4.9536 9.1077 121.2084 61.8061 70.8131 173.0261 48 L 5.0613 8.9321 129.7619 53.9833 44.0616 175.6201 49 G 4.2355 9.2778 112.2449 45.2486 0.0000 172.3618 50 G 4.0753 8.3721 106.4865 46.5523 0.0000 174.2715 51 Y 4.3218 7.0006 116.2178 56.4764 38.8618 175.8038 52 K 4.3132 8.5173 120.2271 56.3307 33.8734 176.6616 53 T 4.2431 8.2950 118.4910 65.1802 68.9227 174.0359 54 G 4.1470 9.1765 113.2295 46.1160 0.0000 174.5927 55 T 3.8848 7.9229 116.8594 64.0923 69.1411 173.3013 56 T 5.0254 8.0019 114.6090 59.3236 71.2413 175.3390 57 S 4.2276 8.8613 118.0211 61.5535 63.0249 176.4530 58 T 4.0582 7.8502 109.5006 63.1723 68.9730 175.1053 59 S 4.5234 7.9554 117.1404 58.0698 63.5907 173.0551 60 V 4.7680 7.4717 121.2818 61.3227 34.3597 173.8247 61 N 5.3096 8.8737 125.6779 52.0453 42.2678 172.6709 62 F 5.1314 9.4005 126.4473 56.3852 40.7330 175.2442 63 T 5.2841 9.1049 114.3510 60.0254 72.2530 172.4375 64 D 5.0893 8.9677 121.2623 51.8374 42.6264 175.3317 65 A 4.0261 8.6762 121.1083 55.1771 18.5361 178.7593 66 A 3.9626 8.1863 118.6264 53.8983 18.4614 178.8194 67 G 4.1621 8.2254 101.3127 46.3157 0.0000 172.9256 68 D 4.4344 7.5223 120.2304 52.7596 41.4236 174.0238 69 P 4.3807 0.0000 0.0000 64.6437 31.6643 176.5335 70 M 3.1472 9.0544 122.5610 55.0211 31.1067 176.1251 71 Y 5.1662 7.2303 114.0822 56.0612 42.3176 174.6872 72 L 4.8236 8.8174 121.6567 53.5874 44.0484 175.5427 73 T 5.0167 8.9866 120.9618 61.8452 70.6353 173.8895 74 F 4.6795 8.8640 125.0105 55.8195 41.7800 174.6614 75 T 5.3371 8.4753 119.7658 61.3964 71.6683 174.0924 76 S 3.9320 8.9401 120.8292 58.2350 63.8106 174.0800 77 Q 4.4770 8.0197 118.9859 55.9419 28.8225 175.9594 78 D 4.6149 7.9586 116.0005 52.7073 39.5979 177.1929 79 G 3.8541 8.0180 106.1029 46.6031 0.0000 174.2373 80 N 4.4924 8.5209 115.6701 52.3186 38.9913 174.4607 81 N 4.1209 7.9835 115.3288 54.5536 37.6546 173.5208 82 H 4.5716 7.9042 113.8022 55.8651 29.7600 175.1657 83 Q 5.5090 8.9363 121.3536 54.2000 32.5942 174.4556 84 F 5.3463 8.8391 115.8732 55.5919 42.0452 173.5513 85 T 5.3228 8.9680 110.2039 60.4893 71.9042 173.1439 86 T 5.3742 8.9682 111.6128 60.0775 72.7932 172.7941 87 K 5.0077 9.1562 121.8919 55.2460 36.2515 174.9440 88 V 4.8774 8.1830 120.2037 61.1508 33.5517 174.4205 89 I 5.0216 8.8603 120.6021 60.0483 41.9022 173.9646 90 G 4.5174 9.3622 109.3355 45.8084 0.0000 171.6162 91 K 5.4220 8.6891 118.4702 54.7070 35.5270 176.6843 92 D 4.8761 8.6583 124.1022 51.7001 41.7546 177.1392 93 S 4.2205 8.7284 112.6736 61.0474 62.5222 175.0503 94 R 4.5301 8.8831 119.9270 55.6846 30.2007 175.8161 95 D 4.5717 8.0213 114.5480 55.2011 40.3527 173.4941 96 F 4.4006 7.9586 116.3003 56.2779 39.6614 174.8885 97 D 5.1754 8.7626 125.1787 54.7407 41.3246 175.5871 98 I 5.0203 9.0718 116.4329 59.5823 41.7934 174.0080 99 S 5.1119 8.3631 115.4232 56.4147 65.4969 172.3022 100 P 4.7967 0.0000 0.0000 62.1518 32.5783 175.8242 101 K 4.1938 8.6487 119.8229 56.6162 33.3037 176.5926 102 V 4.6602 8.4822 123.5408 61.5821 34.3648 175.4186 103 N 4.1674 10.2503 127.5056 54.2957 36.6485 175.4132 104 G 4.0155 9.2089 105.8659 45.2183 0.0000 173.7681 105 E 4.7045 7.5043 117.7879 54.4504 33.5822 174.0733 106 N 4.8977 8.4656 118.8901 52.4410 39.8429 175.3537 107 L 4.1694 8.4524 124.6457 57.0883 42.7199 177.0815 108 V 4.4110 7.5819 115.3302 60.9635 34.3661 175.5379 109 G 3.9947 8.9398 108.3595 46.3563 0.0000 173.2470 *110 D 4.7269 8.0051 117.7030 51.2826 41.1377 175.7269 111 D 4.5231 8.3911 117.3428 56.1732 41.7131 175.9026 112 V 4.6032 8.3790 117.5266 59.4106 36.6699 174.6290 113 V 4.1228 8.3010 123.0510 62.7154 31.9133 175.9871 114 L 4.3908 8.6448 128.1030 54.3096 42.2542 177.1300 115 A 4.1389 8.9662 125.1745 52.3457 18.9468 178.1190 116 T 3.8926 8.3541 118.1835 65.3370 68.6921 173.7460 117 G 4.1727 10.2003 120.8984 44.8104 0.0000 172.9068 118 S 4.7425 7.1774 112.4112 56.3479 66.5132 172.3995 119 Q 4.4422 9.1765 121.7217 54.4525 32.0356 173.6977 120 D 4.9671 8.4887 126.0209 53.6550 42.2458 175.7557 121 F 4.9669 9.0998 120.9437 55.6556 43.1353 173.8513 122 F 5.0779 9.4724 121.5283 55.8736 41.3911 174.9144 123 V 4.6269 8.9546 124.7119 61.9262 32.7093 174.7420 124 R 5.4368 8.9679 127.6457 53.9551 33.6616 175.6697 125 S 4.1467 9.0707 118.5395 59.2949 63.7446 172.7914 126 I 4.2995 8.7296 120.6261 60.2270 38.4575 177.8594 127 G 3.9268 6.9307 107.0050 46.7155 0.0000 170.3678 128 S 5.0165 8.4797 114.3919 56.1270 63.6079 173.9178 129 K 4.0305 9.1342 129.0087 59.4268 32.1774 177.8803 130 G 3.7459 8.1516 106.2283 45.8816 0.0000 175.5905 131 G 3.6917 7.1794 108.2688 47.8581 0.0000 175.1505 132 K 4.7871 7.7919 123.6928 52.8918 30.1776 175.8667 133 L 4.4842 8.3156 124.8604 54.3252 42.6698 176.4529 134 A 4.9240 8.1551 121.2144 49.5991 21.8445 176.4133 135 A 4.1063 8.8434 122.6913 52.1596 19.3773 179.2207 136 G 3.7973 8.0205 107.0157 45.4028 0.0000 171.4924 137 K 4.8174 8.2315 119.9160 55.2936 34.2501 175.4069 138 Y 5.2716 8.9394 121.4599 56.5347 41.4083 174.8233 139 T 5.0251 9.1462 112.3488 60.5146 72.9374 171.9997 140 D 4.7168 8.4277 119.8163 52.8224 44.4376 174.0556 141 A 4.5704 8.3627 126.5913 50.1983 20.8389 175.7785 142 V 4.5561 8.2347 122.7105 61.5260 34.1633 174.7319 143 T 4.4580 8.9301 125.1048 62.1991 70.5625 173.9461 144 V 4.2467 8.2296 125.6636 61.4990 33.3035 174.4782 145 T 4.4857 8.6992 126.0858 61.9168 70.4620 174.0780 146 V 4.6662 8.2950 125.7027 61.2533 34.0140 175.1116 147 S 4.6386 8.8790 125.2249 56.7095 63.0475 173.6038 148 N 4.4776 8.5264 122.5136 52.7580 39.1334 175.7508 149 Q 4.1715 8.6801 120.3509 56.3943 28.7457 176.3323 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 14 V 8.05 4.03 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 0.86 0.00 0.00 0.93 0.00 0.00 15 E 8.39 4.29 0.00 1.98 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 2.23 2.46 0.00 16 P 0.00 4.31 0.00 2.08 1.96 0.00 3.69 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 2.02 2.07 0.00 17 A 8.30 4.52 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 18 R 8.19 4.61 0.00 1.86 1.84 0.00 3.05 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 19 I 8.18 5.05 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.95 0.00 0.00 20 T 8.95 4.83 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 1.21 0.00 0.00 21 L 8.44 5.29 0.00 1.66 1.58 1.16 1.01 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 22 T 9.04 4.77 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 1.23 0.00 0.00 23 Y 8.71 5.10 0.00 3.16 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 24 K 8.43 4.43 0.00 1.70 1.46 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.31 7.81 25 E 8.69 4.06 0.00 1.90 1.90 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 2.60 2.55 0.00 26 G 8.31 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 A 8.45 4.36 1.23 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 0.00 0.00 0.00 28 P 0.00 4.34 0.00 2.04 2.01 0.00 3.64 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 2.12 0.00 29 I 8.09 4.38 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.48 0.68 0.00 0.00 30 T 8.03 4.58 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 1.18 0.00 0.00 31 I 8.18 3.72 1.84 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 1.35 0.46 0.87 0.00 0.00 32 M 8.56 4.37 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 *33 D 8.64 4.45 0.00 2.69 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 34 N 7.93 4.56 0.00 2.79 2.95 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.28 4.06 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 0.00 0.00 0.00 36 N 8.47 5.01 0.00 2.81 2.67 0.00 0.00 6.72 6.75 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 37 I 7.71 4.25 1.56 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.26 0.58 0.00 0.00 38 D 8.19 4.33 0.00 2.57 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 39 T 8.07 4.33 4.21 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 0.00 0.00 1.19 0.00 0.00 40 E 8.62 3.84 0.00 2.16 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 2.40 0.00 41 L 7.66 4.04 0.00 1.53 1.52 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.48 4.37 0.00 1.64 1.63 1.23 1.01 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 43 V 9.09 3.72 2.28 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 0.83 0.00 0.00 0.95 0.00 0.00 44 G 7.21 4.33 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 0.00 45 T 7.90 5.10 4.17 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 1.03 0.00 0.00 46 L 9.07 5.28 0.00 1.76 1.86 0.92 0.86 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 47 T 9.11 4.95 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 1.23 0.00 0.00 48 L 8.93 5.06 0.00 2.11 1.80 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.28 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 50 G 8.37 4.08 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 0.00 0.00 0.00 51 Y 7.00 4.32 0.00 3.09 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 52 K 8.52 4.31 0.00 2.00 2.03 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 53 T 8.29 4.24 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 1.26 0.00 0.00 54 G 9.18 4.15 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 0.00 55 T 7.92 3.88 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 0.97 0.00 0.00 56 T 8.00 5.03 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 1.24 0.00 0.00 57 S 8.86 4.23 0.00 4.22 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 0.00 58 T 7.85 4.06 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 1.27 0.00 0.00 59 S 7.96 4.52 0.00 4.18 4.08 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 60 V 7.47 4.77 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 0.75 0.00 0.00 0.95 0.00 0.00 61 N 8.87 5.31 0.00 2.78 2.52 0.00 0.00 6.78 7.28 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 62 F 9.40 5.13 0.00 2.91 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 63 T 9.10 5.28 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 1.19 0.00 0.00 64 D 8.97 5.09 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 65 A 8.68 4.03 1.26 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 66 A 8.19 3.96 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 67 G 8.23 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 68 D 7.52 4.43 0.00 2.67 2.70 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 69 P 0.00 4.38 0.00 2.06 1.96 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 70 M 9.05 3.15 0.00 1.63 1.43 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 71 Y 7.23 5.17 0.00 2.90 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 72 L 8.82 4.82 0.00 1.71 1.64 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.99 5.02 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 1.17 0.00 0.00 74 F 8.86 4.68 0.00 1.51 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 75 T 8.48 5.34 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 1.21 0.00 0.00 76 S 8.94 3.93 0.00 3.47 2.93 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 77 Q 8.02 4.48 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.13 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 78 D 7.96 4.61 0.00 2.73 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 79 G 8.02 3.85 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 0.00 0.00 0.00 80 N 8.52 4.49 0.00 2.72 2.62 0.00 0.00 6.85 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 81 N 7.98 4.12 0.00 2.77 2.82 0.00 0.00 7.08 7.89 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 82 H 7.90 4.57 0.00 3.27 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.94 5.51 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 84 F 8.84 5.35 0.00 3.27 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 85 T 8.97 5.32 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 1.18 0.00 0.00 86 T 8.97 5.37 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 1.40 0.00 0.00 87 K 9.16 5.01 0.00 1.88 2.14 0.00 1.33 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.43 7.81 88 V 8.18 4.88 1.72 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 0.15 0.00 0.00 0.58 0.00 0.00 89 I 8.86 5.02 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.97 0.00 0.00 90 G 9.36 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 91 K 8.69 5.42 0.00 1.71 1.75 0.00 2.02 0.00 0.00 2.00 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.38 7.81 92 D 8.66 4.88 0.00 2.98 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 93 S 8.73 4.22 0.00 4.04 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 94 R 8.88 4.53 0.00 2.16 2.07 0.00 3.46 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 95 D 8.02 4.57 0.00 2.76 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 96 F 7.96 4.40 0.00 3.53 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 97 D 8.76 5.18 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 9.07 5.02 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 1.04 0.00 0.00 99 S 8.36 5.11 0.00 3.96 3.86 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 0.00 100 P 0.00 4.80 0.00 2.13 1.83 0.00 3.80 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.06 0.00 101 K 8.65 4.19 0.00 1.91 1.79 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 102 V 8.48 4.66 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.81 0.00 0.00 103 N 10.25 4.17 0.00 2.91 2.81 0.00 0.00 7.30 7.47 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 0.00 104 G 9.21 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 0.00 105 E 7.50 4.70 0.00 1.86 1.73 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 2.25 2.21 0.00 106 N 8.47 4.90 0.00 2.69 2.73 0.00 0.00 6.90 7.85 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 0.00 107 L 8.45 4.17 0.00 1.42 1.63 0.91 0.95 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 0.00 108 V 7.58 4.41 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 0.78 0.00 0.00 0.98 0.00 0.00 109 G 8.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 D 8.01 4.73 0.00 2.71 2.47 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 0.00 111 D 8.39 4.52 0.00 2.59 2.59 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 0.00 0.00 0.00 0.00 112 V 8.38 4.60 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 0.67 0.00 0.00 0.96 0.00 0.00 113 V 8.30 4.12 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 0.79 0.00 0.00 0.93 0.00 0.00 114 L 8.64 4.39 0.00 1.24 1.45 0.39 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.97 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 3.89 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 1.21 0.00 0.00 117 G 10.20 4.17 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 0.00 0.00 0.00 118 S 7.18 4.74 0.00 3.91 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 0.00 119 Q 9.18 4.44 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 1.53 1.27 0.00 120 D 8.49 4.97 0.00 2.34 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 9.10 4.97 0.00 2.79 2.59 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 0.00 0.00 0.00 0.00 122 F 9.47 5.08 0.00 3.08 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 0.00 123 V 8.95 4.63 2.36 0.00 0.00 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 0.00 0.00 1.04 0.00 0.00 124 R 8.97 5.44 0.00 1.82 1.81 0.00 3.37 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 125 S 9.07 4.15 0.00 3.77 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 0.00 126 I 8.73 4.30 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.82 0.00 0.00 127 G 6.93 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 0.00 0.00 0.00 128 S 8.48 5.02 0.00 4.01 3.78 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 0.00 129 K 9.13 4.03 0.00 1.75 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 130 G 8.15 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.18 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.79 4.79 0.00 1.71 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 133 L 8.32 4.48 0.00 1.51 1.65 0.69 1.16 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 0.00 134 A 8.16 4.92 1.16 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 0.00 135 A 8.84 4.11 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 0.00 136 G 8.02 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 0.00 137 K 8.23 4.82 0.00 1.75 1.81 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.50 7.81 138 Y 8.94 5.27 0.00 2.99 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 0.00 139 T 9.15 5.03 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 0.00 140 D 8.43 4.72 0.00 1.58 1.63 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 A 8.36 4.57 1.16 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 0.00 142 V 8.23 4.56 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 1.06 0.00 0.00 0.85 0.00 0.00 143 T 8.93 4.46 4.19 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 1.15 0.00 0.00 144 V 8.23 4.25 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 -0.01 0.00 0.00 0.69 0.00 0.00 145 T 8.70 4.49 4.15 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 1.16 0.00 0.00 146 V 8.29 4.67 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 0.82 0.00 0.00 0.87 0.00 0.00 147 S 8.88 4.64 0.00 3.72 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 0.00 148 N 8.53 4.48 0.00 2.72 2.78 0.00 0.00 7.19 7.69 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 0.00 149 Q 8.68 4.17 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.