NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3187 8.4449 121.4763 56.0909 31.5827 176.4960 2 D 4.4081 7.9888 116.8131 53.4586 41.4876 174.7186 3 L 4.2310 8.4019 121.9910 54.4413 43.2892 176.6993 4 P 4.4283 0.0000 0.0000 65.8050 31.5735 178.1406 5 H 4.5803 8.7240 115.5258 59.1530 28.7111 176.2419 6 H 4.2708 8.0269 115.9124 57.8765 28.8488 174.6969 7 D 4.6755 8.3295 119.8290 52.2354 40.7721 176.3441 8 E 2.8437 8.5064 128.9369 58.5178 29.7351 178.7396 9 K 3.9192 7.7350 117.1622 58.3653 32.3758 178.1552 10 T 4.2443 7.8186 109.7965 63.0987 69.2372 176.0859 11 W 4.6818 7.1539 116.4952 55.6000 29.7670 173.9836 12 N 5.1493 7.5859 118.0832 52.7611 37.4833 174.5449 13 V 4.1077 8.6322 119.1396 60.7746 32.7943 179.0479 14 G 3.7063 8.7275 109.6553 45.9704 0.0000 173.6554 15 S 4.5480 8.6504 119.0266 58.8913 62.8208 174.1098 16 S 4.6695 8.7256 123.0074 58.2516 65.4716 171.6557 17 N 4.9212 8.5464 114.7968 50.9945 40.5722 175.4932 18 R 3.8192 8.8046 117.9609 59.6702 29.9839 177.6764 19 N 4.2900 8.1373 116.1814 56.6573 38.9629 176.7757 20 K 3.9856 8.7701 120.0235 59.3263 32.1377 179.1199 21 A 4.0049 8.1417 120.9891 55.2820 18.4022 179.4703 22 E 3.9684 8.4499 117.1867 59.7670 29.3242 179.4517 23 N 4.3965 8.0783 115.3108 56.3341 38.6680 177.2296 24 L 4.1695 8.1796 119.8754 57.1396 42.0523 178.5747 25 L 4.4150 7.9771 116.8348 53.5607 42.0819 176.5663 26 R 4.0940 7.1955 120.2651 57.7064 30.3224 176.8798 27 G 3.9808 8.9151 112.8068 45.4413 0.0000 173.6506 28 K 4.2806 7.6449 119.0751 55.3829 33.1363 177.0961 29 R 4.2206 8.1588 117.5212 55.4754 30.3520 175.7209 30 D 4.7213 8.4773 118.9017 56.4286 41.2745 177.4117 31 G 4.0055 9.4665 112.5773 45.1813 0.0000 173.2021 32 T 5.0009 8.0749 117.9942 63.5984 69.8233 173.8272 33 F 5.6004 8.9761 120.0618 55.8793 42.3387 172.6607 34 L 4.8709 9.1385 118.2591 54.6433 44.3734 174.4948 35 V 5.2252 9.2807 120.1665 61.1840 34.2622 174.5321 36 R 5.2421 9.4220 123.6518 54.6199 33.2894 173.9173 37 E 5.3846 9.5604 119.5625 55.4361 33.6495 175.8803 38 S 4.3446 8.6119 113.3617 59.4067 64.0412 176.2602 *42 G 3.6946 9.2264 111.0828 44.4309 0.0000 172.3235 43 C 3.7841 8.4373 120.9454 60.8941 29.8132 173.9450 44 Y 5.4822 7.6457 116.7129 55.6684 42.1793 173.7151 45 A 5.1852 9.1116 121.3314 51.1430 23.5599 174.5451 46 C 5.3432 9.3620 120.1541 57.7526 34.4221 172.7970 47 S 5.3558 8.9577 122.1151 56.7244 65.4710 173.5337 48 V 4.9538 8.6523 123.4326 60.1695 35.2820 173.9891 49 V 4.3008 8.7404 124.2301 62.6345 32.8870 174.8698 50 V 4.5211 8.5889 127.7152 61.4674 34.5689 175.1304 51 D 4.4667 10.0057 128.7996 55.5969 38.3613 174.6570 52 G 3.9787 8.8821 104.0653 45.6679 0.0000 173.7571 53 E 4.6738 7.9424 118.3955 54.0122 33.1011 174.8564 54 V 4.1398 8.3259 122.2428 62.4926 32.2288 175.2865 55 K 4.7517 8.9758 127.3730 54.9961 35.3747 174.9298 56 H 5.5481 8.5682 118.4808 54.4850 32.5757 172.4945 57 C 4.8494 9.0766 115.7366 56.7381 33.2893 173.5066 58 V 4.3104 8.4862 120.1562 63.1285 32.2617 175.2050 59 I 4.5095 8.3013 127.2380 59.6123 38.8623 175.2457 60 N 4.6849 9.2778 126.0738 52.7394 40.0684 174.4994 61 K 4.4874 8.7719 124.2759 55.0253 34.1695 174.7297 62 T 4.5904 8.4449 117.6661 58.9642 71.7100 174.8070 63 A 3.9321 8.5737 123.7535 55.2432 18.4908 178.5495 64 T 4.1495 8.4885 103.9090 61.6353 69.7818 174.6289 65 G 4.0484 6.7525 109.0342 44.3967 0.0000 172.0900 66 Y 5.4127 7.8962 117.3574 56.0791 39.5289 175.3989 67 G 4.3494 7.7206 109.2473 46.3544 0.0000 173.6068 68 F 4.6082 8.5002 116.1491 58.2002 39.9093 176.3440 69 A 4.4544 7.3644 120.0112 51.0771 21.4571 175.1790 70 E 4.4119 8.8293 122.4192 55.7213 30.3177 174.4981 71 P 4.6410 0.0000 0.0000 63.5613 31.9441 175.5602 72 Y 4.8133 7.8565 114.7517 59.1688 39.1861 177.2402 73 N 4.9370 8.0191 118.7388 52.1831 37.1226 175.4465 74 L 5.2485 7.3307 113.1703 53.9404 42.3541 176.8195 75 Y 4.2303 8.1924 118.7873 57.6755 38.3888 176.9125 76 S 4.3548 8.8141 119.2522 60.5604 63.8245 174.2580 77 S 4.6874 7.7229 115.0069 56.0280 66.8007 174.8210 78 L 3.5309 7.7610 121.8669 57.5207 41.2055 179.6470 79 K 4.2608 8.1434 119.1515 59.7976 32.3284 178.5686 80 E 3.9873 8.4259 118.8708 59.0915 29.3131 179.1244 81 L 3.2999 7.8965 120.4482 57.9805 42.2131 179.2115 82 V 3.1698 7.6648 118.4681 65.8610 30.3989 177.9606 83 L 3.8433 7.9380 118.8827 57.8251 41.5082 179.0324 84 H 3.8201 7.8656 118.0457 59.1829 29.7432 176.1876 85 Y 4.6146 7.4745 117.4378 57.8886 37.5470 177.1302 86 Q 3.9760 7.6653 123.1788 57.4739 29.2407 175.8599 87 H 4.7020 6.9839 109.5075 55.0453 30.1713 173.9723 88 T 4.3771 7.0776 117.8516 61.2122 70.2778 173.9069 89 S 4.4845 8.4314 120.8626 58.5345 63.1700 174.3484 90 L 4.3700 8.6016 124.6239 55.2685 41.4906 179.4290 91 V 3.8077 7.9410 121.2832 64.9262 30.8540 178.2262 92 Q 3.9830 8.0081 116.8468 59.1595 28.3339 177.5990 93 H 4.6808 7.9736 116.7186 56.3138 29.6306 175.1362 94 N 4.6617 7.3325 117.1011 52.6085 42.1874 174.9133 95 D 4.4526 8.7854 125.4897 56.8266 41.1515 177.2305 96 S 4.4411 8.5199 114.0101 59.2293 63.5222 174.0081 97 L 4.6434 7.4343 120.3827 53.9656 40.7170 178.6393 98 N 4.7445 8.0280 118.3002 52.2546 37.9727 174.4769 99 V 4.5085 7.5544 121.9308 60.5417 34.8722 172.3837 100 T 4.6824 8.2263 111.1862 59.8344 71.4447 174.8417 101 L 3.8127 8.2022 123.5777 53.7466 40.0918 177.4550 102 A 3.7851 7.8996 123.6546 54.1344 19.6632 177.3881 103 Y 4.8201 8.0959 116.9715 55.4217 40.6826 173.5997 104 P 3.6713 0.0000 0.0000 62.3788 32.0138 178.2740 105 V 3.4279 7.8223 123.5710 64.5174 31.2543 176.7301 106 Y 4.8024 7.9239 115.5327 57.3598 38.0024 175.4966 107 A 4.2303 7.8826 129.2245 52.5808 18.3795 178.0811 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 E 8.44 4.32 0.00 1.95 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 0.00 2.21 2.43 0.00 2 D 7.99 4.41 0.00 2.81 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 3 L 8.40 4.23 0.00 1.80 1.70 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.43 0.00 2.33 2.42 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 5 H 8.72 4.58 0.00 3.12 3.53 0.00 5.90 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.03 4.27 0.00 3.22 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.33 4.68 0.00 2.78 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 8 E 8.51 2.84 0.00 1.76 1.61 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 0.00 1.67 1.47 0.00 9 K 7.74 3.92 0.00 1.84 1.78 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.26 7.81 10 T 7.82 4.24 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 1.26 0.00 0.00 11 W 7.15 4.68 0.00 3.13 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 12 N 7.59 5.15 0.00 2.03 2.48 0.00 0.00 7.19 8.42 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 13 V 8.63 4.11 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 0.61 0.00 0.00 1.05 0.00 0.00 14 G 8.73 3.71 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 0.00 15 S 8.65 4.55 0.00 3.89 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 16 S 8.73 4.67 0.00 3.90 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 17 N 8.55 4.92 0.00 2.83 2.87 0.00 0.00 5.61 7.66 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 18 R 8.80 3.82 0.00 1.82 1.92 0.00 3.08 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.23 0.00 19 N 8.14 4.29 0.00 2.87 2.91 0.00 0.00 7.17 6.50 0.00 0.00 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 K 8.77 3.99 0.00 2.04 1.87 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.59 7.81 21 A 8.14 4.00 1.45 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 0.00 0.00 22 E 8.45 3.97 0.00 2.18 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 2.46 2.58 0.00 23 N 8.08 4.40 0.00 2.86 2.90 0.00 0.00 7.11 7.19 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 24 L 8.18 4.17 0.00 1.72 1.67 0.93 1.13 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 25 L 7.98 4.41 0.00 1.76 1.68 0.97 0.62 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 26 R 7.20 4.09 0.00 1.96 1.85 0.00 3.31 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 27 G 8.92 3.98 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 0.00 0.00 0.00 28 K 7.64 4.28 0.00 1.86 1.76 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 29 R 8.16 4.22 0.00 2.00 2.02 0.00 2.60 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 30 D 8.48 4.72 0.00 2.75 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 31 G 9.47 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 0.00 0.00 0.00 32 T 8.07 5.00 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 1.26 0.00 0.00 33 F 8.98 5.60 0.00 3.12 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 34 L 9.14 4.87 0.00 1.82 1.57 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.28 5.23 2.61 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 1.22 0.00 0.00 1.10 0.00 0.00 36 R 9.42 5.24 0.00 1.90 2.03 0.00 2.81 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 37 E 9.56 5.38 0.00 1.85 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 2.40 2.22 0.00 38 S 8.61 4.34 0.00 3.77 3.58 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 *42 G 9.23 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 43 C 8.44 3.78 0.00 2.38 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 44 Y 7.65 5.48 0.00 3.15 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 45 A 9.11 5.19 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 46 C 9.36 5.34 0.00 3.20 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 47 S 8.96 5.36 0.00 3.85 3.70 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 48 V 8.65 4.95 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 0.68 0.00 0.00 0.93 0.00 0.00 49 V 8.74 4.30 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 0.95 0.00 0.00 0.95 0.00 0.00 50 V 8.59 4.52 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 0.95 0.00 0.00 0.93 0.00 0.00 51 D 10.01 4.47 0.00 2.82 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 52 G 8.88 3.98 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 0.00 0.00 0.00 53 E 7.94 4.67 0.00 2.10 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 2.21 2.20 0.00 54 V 8.33 4.14 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 0.93 0.00 0.00 55 K 8.98 4.75 0.00 1.64 1.61 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.49 7.81 56 H 8.57 5.55 0.00 2.99 3.17 0.00 5.70 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 57 C 9.08 4.85 0.00 2.95 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 58 V 8.49 4.31 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 0.87 0.00 0.00 0.98 0.00 0.00 59 I 8.30 4.51 1.99 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 0.72 0.84 0.88 0.00 0.00 60 N 9.28 4.68 0.00 2.79 2.74 0.00 0.00 6.00 7.02 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 61 K 8.77 4.49 0.00 1.87 1.78 0.00 2.05 0.00 0.00 1.89 0.00 0.00 2.77 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.06 0.45 7.81 62 T 8.44 4.59 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 1.18 0.00 0.00 63 A 8.57 3.93 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 64 T 8.49 4.15 4.18 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 1.16 0.00 0.00 65 G 6.75 4.05 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 0.00 0.00 0.00 66 Y 7.90 5.41 0.00 3.00 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 67 G 7.72 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.50 4.61 0.00 2.66 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 69 A 7.36 4.45 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 70 E 8.83 4.41 0.00 1.92 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 2.25 2.23 0.00 71 P 0.00 4.64 0.00 1.80 1.87 0.00 3.40 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.65 0.00 72 Y 7.86 4.81 0.00 3.33 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 73 N 8.02 4.94 0.00 2.74 2.92 0.00 0.00 6.51 6.74 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 74 L 7.33 5.25 0.00 1.48 1.56 0.16 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.19 4.23 0.00 3.34 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 76 S 8.81 4.35 0.00 4.05 4.05 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 77 S 7.72 4.69 0.00 4.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.76 3.53 0.00 1.71 1.84 0.73 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.14 4.26 0.00 2.09 1.94 0.00 2.14 0.00 0.00 2.08 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.66 1.82 7.81 80 E 8.43 3.99 0.00 2.28 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 0.00 2.41 2.56 0.00 81 L 7.90 3.30 0.00 1.62 1.61 0.49 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.66 3.17 1.45 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 0.24 0.00 0.00 -0.29 0.00 0.00 83 L 7.94 3.84 0.00 1.67 1.65 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.87 3.82 0.00 3.04 2.79 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.47 4.61 0.00 2.89 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 86 Q 7.67 3.98 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.27 1.84 0.00 87 H 6.98 4.70 0.00 3.13 3.27 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.08 4.38 3.63 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 0.98 0.00 0.00 89 S 8.43 4.48 0.00 3.77 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 90 L 8.60 4.37 0.00 1.72 1.37 0.75 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.94 3.81 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 0.79 0.00 0.00 0.90 0.00 0.00 92 Q 8.01 3.98 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.05 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 93 H 7.97 4.68 0.00 3.20 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.33 4.66 0.00 2.63 2.54 0.00 0.00 7.05 9.28 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 95 D 8.79 4.45 0.00 2.70 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 96 S 8.52 4.44 0.00 3.98 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 97 L 7.43 4.64 0.00 1.37 1.44 0.73 0.70 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 98 N 8.03 4.74 0.00 2.68 2.72 0.00 0.00 7.09 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 99 V 7.55 4.51 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 0.54 0.00 0.00 0.88 0.00 0.00 100 T 8.23 4.68 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 1.15 0.00 0.00 101 L 8.20 3.81 0.00 0.92 0.13 0.47 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.90 3.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.10 4.82 0.00 2.96 2.86 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 0.00 104 P 0.00 3.67 0.00 2.07 2.07 0.00 3.70 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 2.13 1.98 0.00 105 V 7.82 3.43 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.69 0.00 0.00 106 Y 7.92 4.80 0.00 3.01 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 0.00 107 A 7.88 4.23 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 * Residues marked with a * may have inaccurate shift predictions.