NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4597 8.3344 116.7946 57.8564 64.6637 172.7648 8 S 4.4466 7.9089 114.5584 56.1992 65.0663 171.6131 9 Q 4.5588 8.7079 125.7406 54.0170 33.0630 173.4466 10 N 4.7706 8.6888 120.3086 51.9737 40.1723 174.1825 11 V 4.4534 8.2464 124.6038 61.1761 34.2353 174.4466 12 T 4.5292 8.4499 122.3279 61.6573 71.1350 173.1704 13 E 4.7627 8.4047 124.9722 54.5654 32.7037 174.8758 14 Y 4.8508 8.4134 119.3743 55.9560 41.5956 175.5523 15 V 4.0044 8.3975 123.2493 62.8432 33.2075 174.5847 16 V 4.9708 8.4000 126.0473 61.2273 33.6974 174.6822 17 R 4.5911 9.1904 126.5019 54.4917 33.5529 175.0855 18 V 4.4043 7.9741 121.3558 59.7066 31.7792 171.6453 19 P 4.3181 0.0000 0.0000 62.2787 31.8041 176.9632 20 K 4.2499 8.6510 122.9762 58.1119 32.6662 177.2373 21 N 4.6537 8.0011 115.7933 51.9089 38.2605 174.4117 22 T 4.4297 7.6682 118.5818 62.6867 69.7406 172.1753 23 T 4.5359 8.5580 117.5011 61.1370 69.2529 173.8751 24 K 4.5433 7.7246 119.7093 54.7108 35.8132 175.5470 25 K 4.5686 8.1863 119.5937 54.8151 34.6151 175.1744 26 Y 4.5606 8.6704 120.8718 56.5406 39.7778 174.5069 27 N 5.6152 8.7850 120.5089 51.5423 42.8340 173.5089 28 I 4.1719 8.5095 121.4050 59.8083 39.5970 174.6376 29 M 4.8590 8.4521 125.9894 53.9200 33.7959 174.2149 30 A 4.8286 8.9850 129.0699 50.1105 21.7152 175.0789 31 F 5.4037 8.7711 120.1052 55.4702 42.4920 174.8909 32 N 4.6248 9.0088 120.4909 52.9766 39.9950 175.8600 33 A 4.0533 8.8090 127.1620 55.2138 18.7450 179.7076 34 A 4.0974 8.6863 118.5988 55.1225 18.4784 178.0560 35 D 4.6027 8.1665 113.4249 54.5705 41.3446 177.3046 36 K 3.7187 7.3764 113.2858 57.5250 29.3598 172.4969 37 V 3.8600 7.3754 119.6570 61.0447 33.0609 174.8583 38 N 4.2933 7.9925 124.3447 51.3234 40.5622 174.3839 39 F 2.7807 7.2849 125.5064 59.7193 39.2724 177.6078 40 A 4.0500 8.0975 122.9370 55.5137 18.0214 178.7735 41 T 4.1540 7.6688 103.8177 63.6042 69.2527 175.3128 42 W 4.5486 8.5535 122.7805 56.9976 29.6793 175.5447 43 N 5.0068 8.8728 116.3150 54.1932 41.9895 175.0518 44 Q 4.7882 7.9209 113.7173 54.6884 32.2576 173.8707 45 A 4.9461 8.4553 121.5223 50.5389 22.8326 175.5019 46 R 4.5035 8.7984 119.9314 54.2679 33.0918 174.6341 47 L 5.2281 8.6555 126.4664 53.4371 43.8565 175.1697 48 E 5.1267 9.1644 125.1795 54.4677 34.1385 175.7789 49 R 3.9312 8.5431 120.8298 56.2532 31.2415 175.6238 50 D 4.6418 8.4278 121.8856 52.5972 42.2211 175.7724 51 L 4.8223 8.1159 124.4572 53.8278 42.2802 177.5780 52 S 4.1470 7.6146 116.7020 61.4442 63.3137 175.6056 53 N 4.6876 7.3874 116.7659 52.1070 37.2450 174.9027 54 K 3.9442 7.6474 124.0156 59.1051 33.2028 176.3577 55 K 4.8117 7.4537 116.0929 55.2718 34.7216 175.5250 56 I 4.2197 7.3802 120.6500 60.5496 41.9350 172.5186 57 Y 5.0167 8.6485 127.5275 56.4624 39.5310 174.7387 58 Q 4.6938 8.6366 125.6743 53.7946 32.1279 174.3584 59 E 4.6760 8.7896 126.7480 56.4397 30.8215 175.3877 60 E 4.8486 9.2756 126.0719 54.1051 33.4532 174.1922 61 E 3.7929 8.8972 127.3627 56.2745 30.4113 176.2521 62 M 4.0738 8.3860 126.6276 56.1064 32.7483 173.3504 63 P 4.1030 0.0000 0.0000 63.8994 30.2002 178.5158 *73 R 4.2253 8.7982 126.5675 56.6426 31.8609 174.2010 74 K 4.7002 8.0585 115.4191 55.3315 35.6487 175.9329 75 L 4.1869 8.2317 119.5841 54.4066 42.2233 177.6064 76 R 4.0443 8.2701 120.3234 56.2650 30.6348 176.9062 77 E 4.1876 8.4081 120.8238 56.0512 30.3628 176.9109 78 E 4.1862 8.4875 120.4886 55.8741 30.5756 177.8799 79 A 4.0259 8.7581 124.0136 55.5214 18.4276 180.2453 80 R 4.1363 8.0147 110.2754 58.3597 29.6188 177.3429 81 R 4.6738 7.9401 116.5188 55.5655 31.2165 175.7605 82 K 4.0798 7.8859 117.3775 56.7280 32.7140 176.3833 83 K 4.7577 8.1912 120.7943 55.3641 34.2951 175.0727 84 Y 5.0586 8.6880 120.0151 56.5850 42.3013 175.0956 85 G 4.4708 9.2479 108.2465 45.1000 0.0000 171.3773 86 I 5.3443 8.3757 112.1052 59.2887 41.3869 174.9456 87 V 4.4834 8.5585 122.0646 61.0705 35.0006 173.9070 88 L 4.4740 8.5938 129.6218 54.3642 42.5427 175.5545 89 K 4.1027 8.5914 126.0263 54.3946 34.5809 174.8424 90 E 4.8494 8.5834 124.4745 55.0222 30.7528 175.7925 91 F 4.5834 8.6749 124.9410 56.6048 40.1325 175.9343 92 R 3.9712 8.6404 123.4438 55.9264 30.4218 175.4036 93 P 3.8127 0.0000 0.0000 65.8094 31.4102 177.0681 94 E 4.2502 8.1237 114.5869 57.5117 29.6946 176.5583 95 D 4.9390 8.7586 119.6558 54.0358 41.0722 175.8923 96 Q 4.5473 7.5766 117.9861 53.5470 30.7749 173.5925 97 P 4.5302 0.0000 0.0000 62.4882 32.9770 175.4817 98 W 4.8156 8.6559 121.9011 55.5548 31.6719 175.2946 99 L 5.2261 9.3382 124.8206 53.4437 44.4819 174.8240 100 L 4.9666 9.6335 129.8960 53.7103 44.1054 175.1901 101 R 4.8348 8.8280 126.4537 54.5706 32.3651 175.1308 102 V 3.9502 8.4611 125.2293 61.4082 32.5404 175.5668 103 N 4.1005 9.1893 124.4935 54.2913 36.9193 174.3484 104 G 4.0834 7.6296 114.7378 46.2853 0.0000 174.6707 105 K 4.5097 8.6440 124.4880 55.5017 33.6900 176.6133 106 S 4.3277 8.2388 113.7548 61.5153 63.5154 174.8970 107 G 3.8840 7.0553 107.9212 44.6629 0.0000 172.9118 108 R 3.9049 8.4120 117.3647 57.1372 31.4697 176.1278 109 K 5.0629 7.9635 119.9588 55.0803 36.6688 175.2132 110 F 5.5022 10.1051 123.5184 55.5479 43.4611 173.7782 111 K 4.9346 9.1117 122.6591 54.6777 34.7866 174.8440 112 G 2.9362 8.8302 115.4804 44.2384 0.0000 172.1212 113 I 4.9400 8.2184 127.2763 58.9823 39.5288 175.3961 114 K 4.0227 8.8321 128.6507 56.1591 32.7404 176.1915 115 K 4.0213 9.1229 130.0788 56.2488 32.8278 176.4800 116 G 3.8161 8.6227 116.9271 44.8631 0.0000 173.0573 117 G 4.0727 8.1681 112.3403 44.0627 0.0000 171.9192 118 V 4.0052 7.6978 120.0522 61.4694 33.0646 175.7928 119 T 4.3772 8.1662 119.0108 62.5286 68.3526 173.9980 120 E 4.8470 8.3485 130.6459 55.7487 31.3233 176.7168 121 N 4.8670 8.7048 123.0743 54.0962 38.9866 174.4905 122 T 4.7294 7.3630 107.2905 60.5863 71.6063 172.8211 123 S 4.6851 8.1018 115.7530 57.3282 66.0716 172.8899 124 Y 4.7606 8.6085 118.7958 57.6511 39.4626 174.2035 125 Y 5.0875 8.8903 119.4271 56.3686 42.0772 174.7420 126 I 4.5721 9.1953 123.8050 60.0471 39.3505 174.6019 127 F 5.1637 9.1943 126.3782 56.1688 40.2981 175.2090 128 T 4.8031 9.0433 114.9326 59.7428 71.6775 173.0054 129 Q 3.8500 8.5238 125.6263 55.5727 29.9641 174.9694 130 C 4.6422 8.4833 123.8787 57.5039 30.1873 173.0515 131 P 4.2082 0.0000 0.0000 65.7993 30.9223 177.8229 132 D 4.4080 7.9247 115.4036 54.5471 39.3697 176.8753 133 G 3.9444 8.3270 108.8968 45.0358 0.0000 173.6912 134 A 4.6464 7.9337 121.0593 51.3699 20.7542 176.3593 135 F 4.8648 9.2877 118.3908 56.3717 41.3191 175.0592 136 E 4.9166 9.2186 121.5693 54.3764 32.5315 174.7117 137 A 4.7684 7.9636 125.9245 49.9491 21.3735 175.8146 138 F 4.9592 8.7417 119.4723 54.6635 43.3932 172.7545 139 P 3.8276 0.0000 0.0000 62.2570 32.1533 176.0780 140 V 3.7872 8.2555 123.8122 63.5384 31.3604 175.0998 141 H 4.5701 9.9914 130.1951 58.7529 29.6826 174.6818 142 N 5.1504 8.8852 114.4038 51.0328 43.5268 172.6225 143 W 4.9004 8.4671 130.3504 55.9131 33.6099 173.4863 144 Y 5.2722 9.1937 125.0548 56.3485 40.9339 174.3502 145 N 5.3690 9.0983 121.0321 51.9326 40.6695 173.8167 146 F 5.5712 9.6264 123.5250 55.2436 41.0577 175.4033 147 T 5.1938 8.6148 111.9063 59.1598 72.8515 171.1365 148 P 4.3067 0.0000 0.0000 63.1143 31.9340 177.3693 149 L 3.9832 8.9897 125.4578 57.8650 42.2540 178.9509 150 A 4.0441 7.9164 120.2388 54.5810 18.3753 178.1975 151 R 4.2094 7.9292 113.4546 57.3583 30.6412 176.1897 152 H 4.9940 8.1280 115.7175 53.7661 30.8605 174.1617 153 R 4.6751 8.0951 117.8540 53.7621 32.3082 174.9746 154 T 3.7511 8.6551 109.0262 62.0003 68.5455 173.6728 155 L 4.2090 8.5288 126.9394 55.0663 42.2343 177.8525 156 T 4.3191 9.0053 114.5261 60.6700 71.2846 175.5364 157 A 3.9970 8.5815 123.7151 55.5736 18.1747 179.5799 158 E 3.8830 8.1786 116.8672 59.6579 29.6906 178.8036 159 E 4.7704 8.2683 119.5019 58.8897 29.4925 179.1237 160 A 4.1256 8.4009 121.1600 55.4069 18.5615 179.5563 161 E 4.0342 8.5073 117.0732 59.7636 29.6940 179.5218 162 E 4.0938 8.5650 118.7281 59.1259 29.5166 179.2014 163 E 3.9751 8.6107 119.9039 59.1375 29.6338 178.3499 164 W 3.8122 8.3457 127.1125 60.4231 30.9438 177.2813 165 E 4.1084 8.3193 118.4811 59.3956 28.9700 178.5087 166 R 3.8838 7.5182 116.2620 59.8778 30.3120 178.8633 167 R 3.9274 7.6373 115.7491 58.2011 30.0725 176.3935 168 N 4.2677 7.2708 120.4725 53.3602 38.9686 173.6994 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 7 S 8.33 4.46 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.91 4.45 0.00 3.83 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 9 Q 8.71 4.56 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 10 N 8.69 4.77 0.00 2.67 2.72 0.00 0.00 6.78 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 11 V 8.25 4.45 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 0.89 0.00 0.00 0.97 0.00 0.00 12 T 8.45 4.53 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 0.94 0.00 0.00 13 E 8.40 4.76 0.00 1.83 1.78 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 2.20 2.26 0.00 14 Y 8.41 4.85 0.00 3.12 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 15 V 8.40 4.00 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 1.02 0.00 0.00 0.97 0.00 0.00 16 V 8.40 4.97 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 0.74 0.00 0.00 1.08 0.00 0.00 17 R 9.19 4.59 0.00 1.62 1.69 0.00 3.10 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 18 V 7.97 4.40 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 0.78 0.00 0.00 0.73 0.00 0.00 19 P 0.00 4.32 0.00 2.29 2.07 0.00 3.15 0.00 0.00 3.40 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 20 K 8.65 4.25 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 21 N 8.00 4.65 0.00 2.88 2.85 0.00 0.00 5.86 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 22 T 7.67 4.43 4.47 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 1.31 0.00 0.00 23 T 8.56 4.54 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 1.21 0.00 0.00 24 K 7.72 4.54 0.00 1.25 1.10 0.00 1.31 0.00 0.00 1.30 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.14 1.20 7.81 25 K 8.19 4.57 0.00 1.68 1.69 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.33 7.81 26 Y 8.67 4.56 0.00 2.94 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 27 N 8.78 5.62 0.00 2.59 3.00 0.00 0.00 7.03 7.45 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 28 I 8.51 4.17 1.02 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 0.81 0.13 -0.31 0.00 0.00 29 M 8.45 4.86 0.00 1.83 1.71 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.86 0.00 30 A 8.99 4.83 1.37 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 0.00 0.00 0.00 0.00 0.00 31 F 8.77 5.40 0.00 2.85 2.96 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 32 N 9.01 4.62 0.00 2.86 3.00 0.00 0.00 7.02 8.67 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 33 A 8.81 4.05 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 34 A 8.69 4.10 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 35 D 8.17 4.60 0.00 3.07 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 36 K 7.38 3.72 0.00 1.87 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 37 V 7.38 3.86 1.34 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 -0.38 0.00 0.00 0.69 0.00 0.00 38 N 7.99 4.29 0.00 2.56 2.50 0.00 0.00 7.21 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 39 F 7.28 2.78 0.00 2.82 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.10 4.05 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 41 T 7.67 4.15 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 1.30 0.00 0.00 42 W 8.55 4.55 0.00 3.37 3.21 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 0.00 43 N 8.87 5.01 0.00 2.78 2.81 0.00 0.00 6.72 7.80 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 44 Q 7.92 4.79 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 45 A 8.46 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.80 4.50 0.00 1.74 1.97 0.00 3.06 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 47 L 8.66 5.23 0.00 1.50 1.46 0.98 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.16 5.13 0.00 2.01 1.81 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 2.29 2.36 0.00 49 R 8.54 3.93 0.00 1.43 1.50 0.00 2.64 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.06 0.00 50 D 8.43 4.64 0.00 2.67 2.45 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 51 L 8.12 4.82 0.00 1.58 1.56 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.61 4.15 0.00 3.84 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 53 N 7.39 4.69 0.00 2.22 2.14 0.00 0.00 6.84 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.65 3.94 0.00 1.90 1.76 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.39 7.81 55 K 7.45 4.81 0.00 1.57 1.41 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.32 7.81 56 I 7.38 4.22 2.15 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 1.14 1.22 0.74 0.00 0.00 57 Y 8.65 5.02 0.00 2.89 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 58 Q 8.64 4.69 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.55 0.00 59 E 8.79 4.68 0.00 1.98 1.79 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 2.35 2.31 0.00 60 E 9.28 4.85 0.00 2.04 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 2.19 2.25 0.00 61 E 8.90 3.79 0.00 1.85 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 1.92 1.48 0.00 62 M 8.39 4.07 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 63 P 0.00 4.10 0.00 2.01 1.71 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 *73 R 8.80 4.23 0.00 1.82 1.95 0.00 3.15 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 74 K 8.06 4.70 0.00 1.78 1.71 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.43 7.81 75 L 8.23 4.19 0.00 1.65 1.64 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.27 4.04 0.00 1.79 1.85 0.00 3.20 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 77 E 8.41 4.19 0.00 1.94 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 2.30 2.36 0.00 78 E 8.49 4.19 0.00 2.04 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 2.40 2.31 0.00 79 A 8.76 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.01 4.14 0.00 1.95 2.10 0.00 2.99 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 81 R 7.94 4.67 0.00 1.78 1.93 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 82 K 7.89 4.08 0.00 1.93 1.55 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.62 7.81 83 K 8.19 4.76 0.00 1.62 1.69 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.43 7.81 84 Y 8.69 5.06 0.00 2.75 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 85 G 9.25 4.47 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 0.00 86 I 8.38 5.34 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.92 0.00 0.00 87 V 8.56 4.48 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 0.79 0.00 0.00 0.96 0.00 0.00 88 L 8.59 4.47 0.00 1.63 1.48 0.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.59 4.10 0.00 0.79 0.74 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.77 7.81 90 E 8.58 4.85 0.00 1.98 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 2.23 2.30 0.00 91 F 8.67 4.58 0.00 3.14 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 92 R 8.64 3.97 0.00 1.80 1.93 0.00 3.26 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 1.67 1.94 0.00 93 P 0.00 3.81 0.00 2.07 2.10 0.00 3.74 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 2.05 2.14 0.00 94 E 8.12 4.25 0.00 1.95 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 2.38 2.45 0.00 95 D 8.76 4.94 0.00 2.74 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 96 Q 7.58 4.55 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 7.05 0.00 0.00 0.00 0.00 0.00 2.59 2.19 0.00 97 P 0.00 4.53 0.00 2.00 1.91 0.00 3.45 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 98 W 8.66 4.82 0.00 3.07 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 99 L 9.34 5.23 0.00 1.76 1.66 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.63 4.97 0.00 1.91 1.98 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.83 4.83 0.00 1.77 1.79 0.00 3.15 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 102 V 8.46 3.95 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 -0.11 0.00 0.00 -0.29 0.00 0.00 103 N 9.19 4.10 0.00 2.90 2.81 0.00 0.00 6.68 7.91 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 0.00 104 G 7.63 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 0.00 105 K 8.64 4.51 0.00 1.63 1.75 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.46 7.81 106 S 8.24 4.33 0.00 3.88 3.88 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 0.00 107 G 7.06 3.88 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 0.00 0.00 0.00 108 R 8.41 3.90 0.00 1.76 1.72 0.00 2.98 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 109 K 7.96 5.06 0.00 1.55 1.62 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.59 7.81 110 F 10.11 5.50 0.00 3.29 3.32 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 0.00 111 K 9.11 4.93 0.00 1.71 1.24 0.00 1.49 0.00 0.00 1.32 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.27 7.81 112 G 8.83 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 0.00 0.00 0.00 113 I 8.22 4.94 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.94 0.00 0.00 114 K 8.83 4.02 0.00 1.66 1.66 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.96 7.81 115 K 9.12 4.02 0.00 1.63 1.69 0.00 1.07 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.15 7.81 116 G 8.62 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 0.00 117 G 8.17 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 0.00 0.00 0.00 118 V 7.70 4.01 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 0.80 0.00 0.00 0.91 0.00 0.00 119 T 8.17 4.38 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 1.22 0.00 0.00 120 E 8.35 4.85 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 121 N 8.70 4.87 0.00 2.67 2.81 0.00 0.00 6.52 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 0.00 122 T 7.36 4.73 4.12 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 1.16 0.00 0.00 123 S 8.10 4.69 0.00 4.03 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 0.00 124 Y 8.61 4.76 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 125 Y 8.89 5.09 0.00 3.02 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 0.00 126 I 9.20 4.57 1.87 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 1.31 1.02 1.01 0.00 0.00 127 F 9.19 5.16 0.00 2.82 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 0.00 128 T 9.04 4.80 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 1.35 0.00 0.00 129 Q 8.52 3.85 0.00 1.39 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.90 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 130 C 8.48 4.64 0.00 3.22 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.21 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 132 D 7.92 4.41 0.00 2.78 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 0.00 133 G 8.33 3.94 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 0.00 0.00 0.00 134 A 7.93 4.65 1.43 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 0.00 0.00 135 F 9.29 4.86 0.00 3.06 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 0.00 136 E 9.22 4.92 0.00 1.80 1.31 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 2.08 2.17 0.00 137 A 7.96 4.77 0.30 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 0.00 138 F 8.74 4.96 0.00 2.30 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 3.83 0.00 1.87 1.52 0.00 3.89 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 140 V 8.26 3.79 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.07 0.00 0.00 141 H 9.99 4.57 0.00 3.22 3.72 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.89 5.15 0.00 3.05 2.23 0.00 0.00 6.55 7.41 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 0.00 143 W 8.47 4.90 0.00 3.41 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 0.00 144 Y 9.19 5.27 0.00 3.14 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 0.00 145 N 9.10 5.37 0.00 2.72 2.82 0.00 0.00 6.70 7.70 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 0.00 146 F 9.63 5.57 0.00 2.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.61 5.19 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 1.37 0.00 0.00 148 P 0.00 4.31 0.00 2.09 1.92 0.00 3.76 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 149 L 8.99 3.98 0.00 1.84 1.63 0.93 1.22 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 0.00 150 A 7.92 4.04 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 0.00 151 R 7.93 4.21 0.00 1.83 1.92 0.00 3.19 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 152 H 8.13 4.99 0.00 3.26 3.22 0.00 5.60 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 0.00 153 R 8.10 4.68 0.00 1.86 1.86 0.00 3.08 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 154 T 8.66 3.75 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 1.21 0.00 0.00 155 L 8.53 4.21 0.00 1.64 1.68 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 156 T 9.01 4.32 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 1.28 0.00 0.00 157 A 8.58 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 158 E 8.18 3.88 0.00 2.06 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 2.61 2.43 0.00 159 E 8.27 4.77 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 160 A 8.40 4.13 1.52 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 0.00 161 E 8.51 4.03 0.00 2.24 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 0.00 2.36 2.74 0.00 162 E 8.56 4.09 0.00 2.23 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 2.37 2.58 0.00 163 E 8.61 3.98 0.00 2.23 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 2.47 2.64 0.00 164 W 8.35 3.81 0.00 2.75 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 0.00 165 E 8.32 4.11 0.00 2.29 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 0.00 2.36 2.42 0.00 166 R 7.52 3.88 0.00 1.93 1.99 0.00 3.39 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 167 R 7.64 3.93 0.00 1.53 2.06 0.00 3.38 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 168 N 7.27 4.27 0.00 1.86 1.69 0.00 0.00 7.06 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.