NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6554 8.2833 119.2071 53.1689 39.0274 174.3502 4 I 3.4106 8.1056 126.4289 64.5076 36.9953 176.2305 5 S 4.1670 8.9448 116.4128 62.2426 63.2161 176.5562 6 D 4.5034 8.0539 120.5264 57.4142 40.5452 178.5313 7 I 3.6902 7.6364 120.0809 64.5517 37.0992 178.2699 8 I 2.9790 7.4178 120.2807 64.3560 36.9472 177.9315 9 E 4.1135 8.5116 120.2480 59.5103 29.3381 179.0561 10 Q 3.9749 8.2588 117.9495 59.1955 28.8048 177.6675 11 Y 4.4231 8.3057 120.8095 61.1699 38.5435 178.4890 12 L 3.6656 7.9748 118.4565 57.6573 42.0986 179.3933 13 K 4.2728 8.2154 118.8083 59.0710 31.9611 179.4292 14 Q 4.0127 8.5092 118.5527 59.5952 28.3934 179.1356 15 V 3.7492 7.2358 112.2900 62.5145 31.5858 177.4533 16 L 4.2128 7.4902 119.0596 56.0050 42.9774 175.9052 17 N 4.6151 7.6916 118.7997 53.0198 38.4254 174.7612 *19 S 4.2561 7.5856 112.9427 58.8429 64.3857 174.4005 20 D 4.6322 8.5898 121.6285 55.1902 41.1861 177.1474 21 Q 4.4035 7.9484 116.9553 54.6839 29.4925 175.6115 22 D 4.5377 8.0712 115.4333 54.6675 37.9618 172.6924 23 I 4.7842 7.0399 117.1635 59.4871 41.7180 173.8551 24 V 4.5376 8.4414 125.3177 59.9867 34.7498 173.7076 25 E 5.1994 8.7228 123.7264 54.5662 32.7863 174.2803 26 I 4.7220 8.7175 117.8315 59.7073 42.2816 173.6715 27 K 4.5833 8.5084 121.7690 54.9214 33.3861 177.0244 28 R 3.9068 9.0391 126.1498 59.9862 29.6330 178.2501 29 S 4.1302 8.0113 112.6807 61.5154 63.1806 175.6856 30 E 4.0621 8.1601 121.4385 59.4761 29.4143 178.5647 31 I 3.8470 7.9757 119.1667 64.6505 37.4126 178.2942 32 A 4.1935 8.4236 121.1776 54.5511 17.7511 178.4071 33 N 4.5154 8.1343 114.9699 55.1813 39.3979 176.8055 34 K 3.9652 8.0087 120.2952 58.0984 32.2553 177.2507 35 F 4.5640 7.8685 114.7210 55.9267 39.6109 175.2594 36 R 3.5556 7.4083 116.1219 56.9069 27.8379 174.5228 37 C 4.7856 8.3817 113.9606 56.8164 32.8780 175.0325 38 V 3.7897 7.9682 114.9058 61.2422 31.9110 175.8148 39 P 4.3692 0.0000 0.0000 65.8574 31.2574 178.4087 40 S 4.4195 8.0625 112.0681 60.2628 62.2940 175.4779 41 Q 4.0050 7.9900 122.7281 59.7372 28.8725 177.9737 42 I 3.7508 7.6532 120.3599 64.5621 37.0123 178.1858 43 N 4.3589 8.0542 116.8063 56.2940 38.4769 176.4607 44 Y 4.0329 7.9661 120.5397 60.8845 38.9588 178.1438 45 V 3.5724 8.0412 118.9863 66.3858 31.5189 178.1543 46 I 4.0169 7.7783 119.0777 64.5270 36.8799 177.9804 47 N 4.5256 8.3885 115.5399 55.3168 38.4303 176.6644 48 T 4.1266 7.5388 116.2585 64.4597 69.5800 175.5983 49 R 4.2011 8.1983 117.5768 56.0489 32.3948 176.7178 50 F 4.5066 7.7453 117.3734 55.7955 38.1625 174.4676 51 T 4.6849 7.3712 113.4943 59.3046 71.7869 176.4151 52 L 4.2948 8.4268 121.0336 57.4151 41.8645 179.9531 53 E 3.9850 8.1717 116.9204 59.4194 29.4988 177.9860 54 R 4.0773 7.5806 113.7449 56.9020 30.4605 177.1393 55 G 3.7787 8.2274 107.0743 45.1481 0.0000 172.2070 56 Y 5.1251 8.0980 116.4927 55.8541 41.1719 174.7136 57 I 4.7789 8.5441 123.1110 59.5413 39.6104 175.0653 58 V 4.7813 8.4877 125.8097 61.2893 34.1796 174.3571 59 E 4.9926 9.2701 125.2977 55.0671 34.2848 174.4142 60 S 5.3715 8.2080 115.5504 57.3023 67.0457 172.7715 61 K 4.1238 7.5944 117.5441 56.0159 35.0896 175.4726 62 R 4.3745 8.3750 127.5112 55.9499 32.3658 176.4727 63 G 3.9519 8.6776 105.8475 45.3603 0.0000 172.9670 64 G 3.5873 8.3061 107.6878 46.6386 0.0000 173.8132 65 G 3.8641 8.9083 110.0744 46.0235 0.0000 173.8987 66 G 3.9618 7.6357 108.0321 45.7823 0.0000 172.1584 67 Y 4.8141 7.1621 116.9450 56.9729 42.0189 172.3481 68 I 5.1392 8.3098 119.4732 59.5096 40.8975 174.9043 69 R 5.0206 9.8368 127.9714 54.7261 32.9324 174.7223 70 I 4.8170 8.4717 126.6973 59.1757 41.1828 174.2489 *72 K 4.1005 8.3571 123.0382 56.1242 32.7183 175.4644 73 V 3.7413 8.8663 129.3515 63.0801 31.9067 175.3336 74 K 4.3975 8.6131 127.6424 55.5188 34.0296 175.5393 75 T 4.5568 8.0988 117.3988 59.9097 69.4307 173.9343 76 K 4.0915 8.8242 128.9480 59.0577 32.6592 177.7606 77 S 4.8393 7.5489 113.2368 56.2293 66.7251 174.4724 78 E 3.8244 8.5311 123.3346 59.5454 29.6976 178.8011 79 A 3.9926 8.0455 120.3267 55.5007 18.3373 179.2426 80 Q 3.9544 8.3343 118.0801 58.9418 29.1429 177.9569 81 L 3.9546 7.9143 121.6328 58.1220 42.1123 179.0860 82 I 3.7305 7.8377 119.8096 64.4524 36.9159 178.0914 83 D 4.4004 8.0128 119.3415 57.3984 40.4568 178.9444 84 Q 4.1584 8.1021 118.5459 59.1030 28.7822 178.8754 85 L 4.0289 7.7869 119.4611 57.6005 41.3529 179.5683 86 L 4.0103 7.8181 118.3502 57.9357 41.6628 179.1804 87 E 4.1067 7.8283 117.1042 59.1162 29.3930 178.9181 88 L 4.2850 7.4329 118.2003 55.7490 42.0376 177.4295 89 I 4.0482 7.3229 120.4473 60.9508 38.4092 174.7466 90 D 4.9192 8.2754 131.8488 54.8586 39.8863 177.4115 91 H 4.6472 9.0541 114.3966 56.6275 30.4898 174.6110 92 R 5.1498 7.5806 114.0093 54.6654 32.0966 174.4388 93 I 4.7256 8.7617 121.4733 59.6297 42.1071 174.7251 94 S 5.1599 8.5583 123.4237 57.0398 65.1085 175.0394 95 Q 3.8928 8.7007 119.7413 59.4394 28.6582 177.7860 96 S 4.0940 8.0637 115.6975 61.9519 63.0653 176.7203 97 S 4.0728 7.9883 114.7997 61.1148 62.0815 176.0447 98 A 4.1002 7.9863 123.8053 54.9559 18.1086 179.1538 99 E 3.9117 8.6450 117.5738 60.0464 29.4869 179.5555 100 D 4.3982 7.8921 118.6131 57.1506 40.8082 179.0004 101 V 3.5859 7.3618 117.7659 65.6759 31.2352 178.2819 102 I 3.6446 7.5447 118.9230 64.2954 37.1222 177.8706 103 K 3.9846 8.3291 118.2317 59.7412 32.2462 178.7969 104 R 4.0609 8.2071 118.8125 59.3445 29.9371 179.1146 105 L 3.9090 7.6472 116.4486 55.2869 40.9489 178.8591 *107 E 4.2565 8.1636 120.6881 56.6626 31.2417 177.3075 108 E 4.3404 8.1171 114.8780 55.7272 29.3539 176.4817 109 K 3.8509 7.3991 116.1186 57.4992 30.3165 177.2576 110 V 3.7435 8.4347 120.4433 64.7021 31.7458 175.5096 111 I 4.6202 7.4216 110.3467 58.7251 40.4052 174.8026 112 S 4.6870 8.5998 116.1884 56.6588 66.0660 174.7391 113 E 3.8473 8.5116 122.0518 59.3590 29.0461 178.6013 114 R 3.8481 7.8546 117.0806 59.6410 30.3321 177.7355 115 E 4.0717 7.8347 116.3136 59.3688 29.5411 178.8787 116 A 4.2155 8.4164 120.0670 54.4254 20.0776 179.4555 117 K 4.1449 7.9668 119.7329 56.4524 28.5850 176.7253 *120 L 4.3132 7.7639 121.9754 54.2092 44.1108 178.7881 121 S 4.3106 7.9922 112.6361 60.9831 63.2607 175.0873 122 V 3.8551 7.4084 119.9862 61.5738 31.5910 175.9200 *124 D 4.5497 7.9551 118.3812 55.0848 43.2955 174.7384 125 R 3.9545 8.9897 123.6919 59.4205 29.2237 179.4037 126 S 4.2275 9.2254 115.0077 60.7297 63.0074 176.4599 127 V 3.8243 7.5221 120.9530 65.6538 31.6708 177.3933 128 L 4.0495 7.8557 117.5140 57.9744 41.6245 177.3315 129 Y 4.0121 8.3346 121.4490 57.7412 39.4894 169.8798 130 I 3.7993 7.4917 110.8004 60.4363 38.4638 175.3033 131 D 4.4593 8.3411 121.7489 54.2834 41.3661 176.0589 132 L 4.3803 8.1327 120.8216 54.4228 42.1207 175.4754 133 P 4.7494 0.0000 0.0000 62.7616 32.0325 177.0254 134 E 3.9399 8.1228 120.6903 59.6846 29.1580 178.6887 135 R 3.8761 7.8788 118.6700 59.8689 30.1509 178.2447 136 D 4.6043 7.7506 118.6393 56.0954 40.8378 178.4279 137 E 4.7939 7.8828 120.4944 58.1266 29.3843 178.6526 138 L 3.8566 7.9280 120.2289 58.2118 42.3504 178.4076 139 R 3.9965 8.0438 117.3437 59.5414 30.2197 177.9216 140 A 4.1873 7.8881 119.8242 55.1070 18.4488 180.1032 141 R 3.9957 7.5778 112.5715 57.2191 29.5724 178.3343 *143 L 4.2604 7.7848 122.3880 55.1042 44.0172 178.1037 144 K 4.0465 8.5296 118.0206 59.5746 32.2027 179.5250 145 A 3.9287 8.5103 118.8350 52.9004 17.5362 178.9770 *147 L 4.2558 7.9939 121.2340 56.6152 43.8791 179.5794 148 T 3.9011 7.9641 115.2654 66.5962 68.0349 176.4209 149 S 4.2495 8.0762 114.3208 61.6207 62.2007 176.1263 150 L 3.9064 7.6742 120.7395 56.7333 41.1372 178.7633 151 K 4.1380 7.6539 119.3260 57.1350 32.0983 175.4896 152 Y 4.7404 6.4594 115.7162 55.2955 39.5656 175.7096 153 K 4.1566 8.6511 123.1347 56.7501 32.8207 175.8347 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 3 N 8.28 4.66 0.00 2.83 2.82 0.00 0.00 7.04 6.91 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 4 I 8.11 3.41 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.24 0.97 0.00 0.00 5 S 8.94 4.17 0.00 3.95 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 6 D 8.05 4.50 0.00 2.90 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 7 I 7.64 3.69 1.97 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 1.57 0.85 1.00 0.00 0.00 8 I 7.42 2.98 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.20 0.78 0.00 0.00 9 E 8.51 4.11 0.00 2.07 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 0.00 2.25 2.12 0.00 10 Q 8.26 3.97 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 11 Y 8.31 4.42 0.00 3.24 3.25 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 12 L 7.97 3.67 0.00 1.83 1.40 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.22 4.27 0.00 2.02 1.94 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.66 1.80 7.81 14 Q 8.51 4.01 0.00 2.30 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 15 V 7.24 3.75 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.74 0.00 0.00 16 L 7.49 4.21 0.00 1.80 1.95 0.95 0.96 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 17 N 7.69 4.62 0.00 2.78 2.77 0.00 0.00 7.16 7.67 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 *19 S 7.59 4.26 0.00 3.92 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 20 D 8.59 4.63 0.00 2.66 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 21 Q 7.95 4.40 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 22 D 8.07 4.54 0.00 2.75 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 23 I 7.04 4.78 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.88 0.00 0.00 24 V 8.44 4.54 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 0.62 0.00 0.00 0.77 0.00 0.00 25 E 8.72 5.20 0.00 1.83 1.71 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 2.04 2.09 0.00 26 I 8.72 4.72 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.88 0.00 0.00 27 K 8.51 4.58 0.00 1.72 1.81 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.38 7.81 28 R 9.04 3.91 0.00 1.89 1.98 0.00 3.52 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 29 S 8.01 4.13 0.00 3.90 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 30 E 8.16 4.06 0.00 2.21 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 2.41 2.50 0.00 31 I 7.98 3.85 1.99 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.13 1.21 0.00 0.00 32 A 8.42 4.19 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 33 N 8.13 4.52 0.00 3.11 2.89 0.00 0.00 6.67 6.03 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 34 K 8.01 3.97 0.00 1.64 1.65 0.00 1.48 0.00 0.00 0.63 0.00 0.00 2.77 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.59 1.09 7.81 35 F 7.87 4.56 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.41 3.56 0.00 1.89 1.91 0.00 3.36 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 1.57 1.61 0.00 37 C 8.38 4.79 0.00 3.10 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.97 3.79 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 0.74 0.00 0.00 0.98 0.00 0.00 39 P 0.00 4.37 0.00 2.28 2.33 0.00 3.71 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 2.09 2.03 0.00 40 S 8.06 4.42 0.00 3.93 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 41 Q 7.99 4.01 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 42 I 7.65 3.75 1.98 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 1.69 1.02 0.91 0.00 0.00 43 N 8.05 4.36 0.00 3.04 2.91 0.00 0.00 6.77 7.48 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 44 Y 7.97 4.03 0.00 3.12 3.20 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 0.00 45 V 8.04 3.57 2.29 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 0.95 0.00 0.00 1.07 0.00 0.00 46 I 7.78 4.02 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.92 0.00 0.00 47 N 8.39 4.53 0.00 2.59 2.83 0.00 0.00 7.02 7.20 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 48 T 7.54 4.13 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 0.92 0.00 0.00 49 R 8.20 4.20 0.00 0.71 1.55 0.00 3.10 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 50 F 7.75 4.51 0.00 3.04 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 51 T 7.37 4.68 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 1.21 0.00 0.00 52 L 8.43 4.29 0.00 1.80 1.79 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.17 3.98 0.00 1.96 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 2.31 2.33 0.00 54 R 7.58 4.08 0.00 2.06 2.07 0.00 3.35 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 55 G 8.23 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 0.00 0.00 0.00 56 Y 8.10 5.13 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.54 4.78 1.92 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 1.27 0.62 0.95 0.00 0.00 58 V 8.49 4.78 2.11 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 0.80 0.00 0.00 1.02 0.00 0.00 59 E 9.27 4.99 0.00 1.99 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 2.25 2.28 0.00 60 S 8.21 5.37 0.00 3.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.59 4.12 0.00 1.18 1.10 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.31 7.81 62 R 8.37 4.37 0.00 1.77 1.85 0.00 3.31 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 63 G 8.68 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 0.00 0.00 0.00 64 G 8.31 3.59 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 0.00 0.00 0.00 65 G 8.91 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 0.00 0.00 0.00 66 G 7.64 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 67 Y 7.16 4.81 0.00 3.13 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 68 I 8.31 5.14 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.87 0.88 0.00 0.00 69 R 9.84 5.02 0.00 1.85 2.01 0.00 3.29 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 70 I 8.47 4.82 1.65 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.70 0.68 0.00 0.00 *72 K 8.36 4.10 0.00 1.90 1.82 0.00 1.26 0.00 0.00 1.14 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 73 V 8.87 3.74 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 0.78 0.00 0.00 0.95 0.00 0.00 74 K 8.61 4.40 0.00 1.88 1.77 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.39 7.81 75 T 8.10 4.56 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 1.24 0.00 0.00 76 K 8.82 4.09 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.48 7.81 77 S 7.55 4.84 0.00 4.01 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 78 E 8.53 3.82 0.00 2.03 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 2.34 2.35 0.00 79 A 8.05 3.99 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 80 Q 8.33 3.95 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 81 L 7.91 3.95 0.00 1.79 1.81 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.84 3.73 2.00 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 1.50 0.73 0.95 0.00 0.00 83 D 8.01 4.40 0.00 2.90 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 84 Q 8.10 4.16 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 85 L 7.79 4.03 0.00 1.82 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.82 4.01 0.00 1.78 1.74 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.83 4.11 0.00 2.03 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 2.35 2.64 0.00 88 L 7.43 4.29 0.00 1.69 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.32 4.05 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 1.18 0.70 0.91 0.00 0.00 90 D 8.28 4.92 0.00 2.64 2.34 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 91 H 9.05 4.65 0.00 3.18 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.58 5.15 0.00 1.69 1.83 0.00 3.07 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 93 I 8.76 4.73 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.32 0.91 0.00 0.00 94 S 8.56 5.16 0.00 3.93 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 95 Q 8.70 3.89 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 96 S 8.06 4.09 0.00 3.89 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 97 S 7.99 4.07 0.00 3.90 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 98 A 7.99 4.10 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 99 E 8.65 3.91 0.00 2.19 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 2.33 2.51 0.00 100 D 7.89 4.40 0.00 2.81 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 0.00 101 V 7.36 3.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 102 I 7.54 3.64 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.91 0.90 0.00 0.00 103 K 8.33 3.98 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 104 R 8.21 4.06 0.00 1.92 2.09 0.00 3.08 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 105 L 7.65 3.91 0.00 1.89 1.63 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *107 E 8.16 4.26 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 108 E 8.12 4.34 0.00 1.95 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 2.44 2.37 0.00 109 K 7.40 3.85 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.34 7.81 110 V 8.43 3.74 2.16 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 0.74 0.00 0.00 0.90 0.00 0.00 111 I 7.42 4.62 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.88 0.00 0.00 112 S 8.60 4.69 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.51 3.85 0.00 2.05 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 2.37 2.37 0.00 114 R 7.85 3.85 0.00 1.83 1.93 0.00 3.30 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 115 E 7.83 4.07 0.00 2.13 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 2.32 0.00 116 A 8.42 4.22 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 0.00 117 K 7.97 4.14 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 *120 L 7.76 4.31 0.00 1.70 1.75 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.99 4.31 0.00 4.02 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 0.00 122 V 7.41 3.86 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 0.71 0.00 0.00 0.93 0.00 0.00 *124 D 7.96 4.55 0.00 2.77 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 0.00 125 R 8.99 3.95 0.00 2.07 2.18 0.00 2.82 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 126 S 9.23 4.23 0.00 4.06 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 0.00 127 V 7.52 3.82 2.27 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 0.97 0.00 0.00 1.00 0.00 0.00 128 L 7.86 4.05 0.00 1.67 1.75 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 8.33 4.01 0.00 3.21 3.20 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 0.00 130 I 7.49 3.80 1.87 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 0.70 0.98 0.00 0.00 131 D 8.34 4.46 0.00 2.68 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 0.00 132 L 8.13 4.38 0.00 1.61 1.58 0.90 0.97 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 0.00 133 P 0.00 4.75 0.00 2.21 2.26 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 134 E 8.12 3.94 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 2.40 2.44 0.00 135 R 7.88 3.88 0.00 2.25 1.92 0.00 3.08 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 136 D 7.75 4.60 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.88 4.79 0.00 2.09 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 2.35 2.48 0.00 138 L 7.93 3.86 0.00 1.80 1.90 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.04 4.00 0.00 1.82 2.09 0.00 3.58 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 140 A 7.89 4.19 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 0.00 141 R 7.58 4.00 0.00 2.05 1.94 0.00 3.15 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 *143 L 7.78 4.26 0.00 1.84 1.73 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.53 4.05 0.00 2.09 1.85 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 145 A 8.51 3.93 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 *147 L 7.99 4.26 0.00 1.74 1.76 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 148 T 7.96 3.90 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 1.27 0.00 0.00 149 S 8.08 4.25 0.00 4.03 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 0.00 150 L 7.67 3.91 0.00 1.80 1.60 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.65 4.14 0.00 1.96 1.97 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 152 Y 6.46 4.74 0.00 3.14 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 0.00 153 K 8.65 4.16 0.00 1.80 1.71 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.