NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5869 8.3149 120.0857 56.3812 33.6228 174.6898 6 I 4.5001 9.2930 125.4457 58.5977 41.4731 169.0142 7 V 4.8558 9.0965 125.6630 61.3603 34.1060 173.8889 8 L 5.0770 8.6814 127.6303 53.0201 44.4863 175.6613 9 K 4.6477 8.7971 124.7666 54.9434 33.3760 176.7821 10 S 4.5935 8.4711 119.8663 57.4712 64.1112 174.4024 11 S 4.7312 8.6298 113.5322 58.6360 61.4824 173.9458 12 D 4.5770 7.8493 118.0493 52.5062 39.2041 174.6021 13 G 3.8658 8.4199 111.0541 47.7788 0.0000 173.5560 14 E 4.8657 8.0419 121.6389 54.6299 32.4435 174.2214 15 S 4.3722 8.4974 118.2867 59.1392 64.3746 173.6960 16 F 4.5761 8.8191 121.6901 55.5237 42.1912 173.9124 17 E 4.4147 8.9470 126.0503 55.8723 29.8411 175.9842 18 V 4.6955 8.7207 119.8946 59.3643 36.5631 175.6617 19 E 4.3659 8.6756 122.0626 55.8015 30.0353 176.7805 20 E 3.8276 8.4937 119.1580 60.4245 29.1758 178.8495 21 A 4.1584 7.7258 121.5922 54.4070 18.8612 179.4236 22 V 3.6402 7.6758 116.8150 66.0671 31.3493 177.7996 23 A 4.1033 7.8807 119.3769 54.2223 18.0195 178.6243 24 L 4.2841 7.1647 114.3995 55.7123 41.9987 177.8152 25 E 3.9478 7.7405 119.2512 58.9556 29.7473 177.0917 26 S 4.3630 7.7529 113.4801 57.3058 62.1019 174.4968 27 Q 4.2193 8.6310 127.3465 57.9625 29.0395 178.6590 28 T 4.0568 7.7639 115.3533 65.9728 69.0076 176.7421 29 I 4.0085 7.3361 120.3111 63.0948 37.4414 178.0518 30 A 4.1298 8.1276 122.4130 55.4796 18.0716 179.1752 31 H 4.5442 7.6837 109.0862 56.6811 28.5358 175.6547 32 M 4.8337 8.1796 119.0392 55.3703 32.9705 176.5527 33 V 4.2933 7.7423 108.5129 61.7115 31.4853 176.4060 34 E 4.2666 7.3728 119.8932 58.4254 30.3561 177.4999 35 D 4.6403 7.7990 119.1878 53.6411 39.4184 174.9984 36 D 4.9974 7.8334 121.5543 54.6159 38.7405 176.7063 37 C 4.5322 8.6867 122.7650 60.8092 28.4318 175.9666 38 V 3.7511 7.4226 119.8681 64.9837 31.4005 177.4814 39 D 4.3881 8.2897 118.8257 57.6615 40.6210 177.3324 40 N 4.8041 7.8693 113.5161 52.5384 38.8997 173.1435 41 G 4.0593 8.1738 110.9612 44.6485 0.0000 174.6239 42 V 3.8531 8.1636 122.1612 60.9188 32.4061 173.2988 43 P 5.0234 0.0000 0.0000 61.7440 32.5223 175.9387 44 L 4.8131 8.8768 125.1688 53.0613 42.0104 174.1482 45 P 4.8354 0.0000 0.0000 63.3342 31.5819 176.5831 46 N 4.6338 8.1508 113.0917 53.1332 39.3168 174.0919 47 V 4.2846 7.2589 119.3076 60.7631 33.2188 175.0948 48 T 4.2086 8.5177 123.7957 64.2801 70.1548 174.9124 49 S 4.1274 8.8277 118.7187 61.4195 62.1374 176.1221 50 K 3.8982 8.2612 121.9030 59.8453 31.6270 178.5423 51 I 3.7662 7.5267 119.1354 64.3517 37.3393 177.6358 52 L 3.7830 8.1630 121.3080 58.2040 41.6556 178.6795 53 A 3.9670 7.9337 120.3612 55.4663 18.2323 179.7416 54 K 4.1485 7.8402 115.5011 59.6103 32.0904 179.8884 55 V 3.7634 8.0719 118.7322 66.1354 31.5186 178.1585 56 I 3.7296 7.9011 119.6161 64.3680 36.7963 177.8083 57 E 4.0368 8.3662 120.2051 59.5584 29.3728 178.4796 58 Y 3.9344 7.7472 119.3148 60.9319 38.9067 177.5467 59 C 3.9447 8.1747 117.7028 62.5399 28.0760 175.5409 60 K 3.6858 8.5180 121.4812 60.0670 31.4475 178.6180 61 R 3.4822 7.2116 117.6221 59.5087 29.9199 177.9922 62 H 4.0102 7.5512 115.3825 58.4685 28.8621 177.5560 63 V 3.6915 7.8136 120.2336 65.5350 31.3502 177.3361 64 E 4.3143 7.7150 118.6384 56.7148 28.6210 176.9933 65 A 4.6616 7.8381 118.4480 51.9831 19.6011 178.8093 66 A 4.0902 7.9929 121.8456 56.5902 19.5359 180.9299 67 A 4.3955 7.3681 119.4004 51.6680 17.8666 179.0700 *80 D 4.6560 8.6987 113.5525 55.9919 43.1306 177.3017 81 D 4.3152 8.1220 118.2519 57.2469 41.5679 177.0172 82 D 4.7157 7.9761 116.1696 54.9182 41.7668 178.2099 83 L 4.0583 7.7290 121.0075 57.7716 41.9337 179.1196 84 K 4.2593 8.2637 117.4679 59.6644 31.8558 178.4857 85 A 4.0613 7.6124 118.9965 54.6871 18.3059 179.1492 86 W 4.2173 8.4513 125.0819 60.6252 30.7502 177.9759 87 D 4.5192 9.0683 118.7845 57.5578 40.1558 178.4101 88 A 4.0023 7.8888 119.9193 55.7076 18.1637 179.0329 89 D 4.3126 8.1425 116.0156 57.0951 41.0249 178.1127 90 F 3.9034 8.0646 120.9193 60.6117 39.3618 176.1584 91 M 4.0477 7.3173 116.0934 55.2609 33.5037 177.1781 92 K 4.2479 7.1786 119.2311 56.4956 29.7198 174.9174 93 I 4.5251 6.7737 112.8635 57.8059 41.4498 176.0894 94 D 4.4618 8.0396 120.1471 52.9265 41.2955 176.6333 95 Q 3.3635 8.3746 118.7471 59.2220 28.7607 179.0456 96 A 3.8145 7.7088 120.5729 55.8420 18.0563 179.7927 97 T 3.7331 7.6210 112.3333 66.4977 69.0922 175.9933 98 L 3.9755 7.7265 122.5653 58.4391 41.9467 179.1447 99 F 4.5500 7.8903 117.4422 60.8946 38.8200 177.5495 100 E 4.0629 8.1995 117.3577 59.0061 29.1417 179.5682 101 L 4.0651 7.7181 118.9673 57.5491 41.8828 178.9879 102 I 3.6732 7.7982 119.1875 64.6931 37.2498 178.0802 103 L 4.0022 8.1511 119.3101 57.9246 41.3157 179.7653 104 A 4.0824 7.8131 120.4367 55.2015 18.3032 179.5173 105 A 3.9472 8.5756 119.7027 55.3774 18.1747 179.3504 106 N 4.3623 8.1929 114.7569 56.5498 39.0641 176.3893 107 Y 4.3962 7.7287 120.3660 62.2221 39.4600 175.7963 108 L 4.1612 8.0982 119.4351 53.7631 43.9313 175.8451 109 N 5.0122 8.2512 112.1563 53.3133 38.9344 177.3789 110 I 4.2513 7.6727 121.7812 59.6672 36.9597 177.0192 111 K 3.9889 8.4387 127.0143 59.2641 32.0296 177.8167 112 N 4.4179 8.1899 115.8613 55.4286 37.7042 176.0244 113 L 4.0177 7.9842 121.5911 56.2983 42.3714 177.2802 114 L 4.3578 7.9947 121.8158 56.9408 42.2956 177.5286 115 D 4.5395 8.0227 118.7417 56.1594 41.3520 177.3340 116 L 4.5486 7.7817 120.3359 56.7924 43.2880 178.1080 117 T 3.8337 7.5649 109.1313 65.0848 68.8171 175.8155 118 C 3.9953 8.1525 120.1254 62.5372 28.3552 176.0251 119 Q 4.2697 8.2234 119.9269 59.4931 28.2082 178.7033 120 T 3.9720 7.4731 115.7574 66.4236 68.8693 176.7137 121 V 3.8680 8.0284 119.9953 66.0382 31.5657 177.8622 122 A 4.0775 8.6001 120.8920 55.4270 17.9368 179.3075 123 D 4.3677 7.8522 116.0659 57.3907 40.9097 178.4794 124 M 4.2634 7.9396 118.9366 57.9561 32.2178 178.5508 125 I 4.2838 7.7967 119.6174 63.3046 37.6607 174.5729 126 K 4.1098 7.7952 123.5735 60.4353 31.5283 175.4729 127 G 3.9306 8.7765 113.4740 45.7352 0.0000 173.1352 128 K 4.4904 8.6118 119.0348 55.5556 33.0688 176.7458 129 T 4.5609 8.0893 110.8180 59.7936 72.2687 173.7339 130 P 4.3725 0.0000 0.0000 65.7655 31.1403 178.5822 131 E 3.9108 8.1414 117.5555 59.4280 29.9172 178.1977 132 E 3.9450 7.9090 118.3347 60.4505 29.3214 179.1024 133 I 4.0081 8.2447 119.5968 64.3320 37.4562 178.0367 134 R 4.2468 8.4704 116.7874 58.9339 29.4919 178.6453 135 T 3.9956 8.3894 118.5078 66.7347 68.2197 176.4464 136 T 4.4675 7.9107 110.4503 61.8223 69.6404 175.3584 137 F 4.8473 8.4422 117.0901 57.6565 44.5291 173.8148 138 N 4.1988 8.1768 118.0141 54.2775 36.3659 172.1039 139 I 4.5425 8.4983 118.9687 58.6115 40.4549 175.8870 140 K 4.0210 8.5934 125.2036 56.1293 33.0396 176.1755 141 N 4.3455 8.7675 122.8868 53.8570 38.1404 173.3621 142 D 4.8196 8.1089 125.6176 52.9452 40.0065 176.2436 143 F 4.8252 8.4532 120.0725 57.5975 39.6114 176.6208 144 T 4.1005 8.7068 116.9855 61.3083 70.5378 173.7460 145 P 4.2953 0.0000 0.0000 65.5735 31.2740 179.0716 146 E 3.9000 8.0770 117.2464 59.4709 29.4240 178.5505 147 E 3.8769 7.9097 118.6189 59.4436 29.5600 178.7261 148 E 3.1625 8.0674 118.8801 59.4066 29.5461 178.9444 149 E 3.7152 7.9691 118.8361 59.0822 29.7526 178.2713 150 E 3.7536 8.2783 119.7026 59.2016 29.6600 178.8429 151 V 3.4267 7.7324 118.3774 65.9444 31.5586 177.6974 152 R 3.6854 7.9927 118.6644 59.4991 29.7705 178.2754 153 R 2.8774 8.0752 117.8582 59.1142 30.0132 178.5407 154 E 3.6868 8.3407 118.1910 59.7774 29.3325 179.2053 155 N 4.3335 8.1537 115.0200 55.9915 38.7056 176.4865 156 Q 4.5017 7.6618 116.4098 55.7630 30.1529 176.9095 157 W 4.8397 8.2187 118.8193 57.2024 30.4700 175.8360 158 A 4.2797 7.7401 117.7328 52.9954 20.2312 176.8280 159 F 4.8894 7.8555 121.3331 59.8044 38.7774 176.0633 160 E 4.6056 9.1113 125.4743 56.0283 29.9853 175.9082 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 5 K 8.31 4.59 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.29 4.50 1.89 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 1.12 1.03 0.92 0.00 0.00 7 V 9.10 4.86 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.68 5.08 0.00 1.72 1.57 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.80 4.65 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.43 7.81 10 S 8.47 4.59 0.00 4.03 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 11 S 8.63 4.73 0.00 3.97 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 12 D 7.85 4.58 0.00 2.76 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 13 G 8.42 3.87 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 0.00 0.00 0.00 14 E 8.04 4.87 0.00 2.02 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 0.00 2.31 2.49 0.00 15 S 8.50 4.37 0.00 3.72 3.83 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 16 F 8.82 4.58 0.00 3.13 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 17 E 8.95 4.41 0.00 1.97 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 2.29 2.42 0.00 18 V 8.72 4.70 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 0.88 0.00 0.00 1.03 0.00 0.00 19 E 8.68 4.37 0.00 2.06 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 2.39 2.35 0.00 20 E 8.49 3.83 0.00 2.06 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 0.00 2.37 2.45 0.00 21 A 7.73 4.16 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 22 V 7.68 3.64 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 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.88 4.10 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 24 L 7.16 4.28 0.00 1.82 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.74 3.95 0.00 2.01 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 2.32 2.37 0.00 26 S 7.75 4.36 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 27 Q 8.63 4.22 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.76 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 1.01 0.00 0.00 29 I 7.34 4.01 2.03 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 1.39 0.42 0.89 0.00 0.00 30 A 8.13 4.13 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 31 H 7.68 4.54 0.00 3.22 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.18 4.83 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.74 4.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.01 0.00 0.00 34 E 7.37 4.27 0.00 1.96 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 2.27 2.23 0.00 35 D 7.80 4.64 0.00 2.90 2.88 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 36 D 7.83 5.00 0.00 2.92 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.69 4.53 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.42 3.75 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 1.05 0.00 0.00 0.96 0.00 0.00 39 D 8.29 4.39 0.00 2.69 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 40 N 7.87 4.80 0.00 2.66 2.81 0.00 0.00 7.10 8.68 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 41 G 8.17 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 42 V 8.16 3.85 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 0.85 0.00 0.00 0.92 0.00 0.00 43 P 0.00 5.02 0.00 2.12 2.14 0.00 3.46 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 44 L 8.88 4.81 0.00 2.05 1.85 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.84 0.00 2.19 2.20 0.00 3.59 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 2.00 2.15 0.00 46 N 8.15 4.63 0.00 1.44 2.06 0.00 0.00 6.82 7.68 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 47 V 7.26 4.28 2.14 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 1.05 0.00 0.00 1.20 0.00 0.00 48 T 8.52 4.21 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 1.28 0.00 0.00 49 S 8.83 4.13 0.00 4.40 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 50 K 8.26 3.90 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.59 7.81 51 I 7.53 3.77 2.03 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 1.53 0.73 0.93 0.00 0.00 52 L 8.16 3.78 0.00 1.60 1.65 0.74 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.93 3.97 1.59 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 54 K 7.84 4.15 0.00 2.08 2.07 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.52 7.81 55 V 8.07 3.76 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 1.09 0.00 0.00 1.00 0.00 0.00 56 I 7.90 3.73 2.02 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.96 0.00 0.00 57 E 8.37 4.04 0.00 2.25 2.42 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 2.80 2.61 0.00 58 Y 7.75 3.93 0.00 2.61 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 59 C 8.17 3.94 0.00 3.03 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 60 K 8.52 3.69 0.00 1.93 1.89 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 R 7.21 3.48 0.00 0.79 1.20 0.00 2.75 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 62 H 7.55 4.01 0.00 2.81 3.13 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.81 3.69 2.13 0.00 0.00 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 0.89 0.00 0.00 64 E 7.72 4.31 0.00 1.93 1.82 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 2.24 2.28 0.00 65 A 7.84 4.66 1.24 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 66 A 7.99 4.09 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 67 A 7.37 4.40 1.11 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 0.00 0.00 *80 D 8.70 4.66 0.00 2.75 2.78 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 81 D 8.12 4.32 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.98 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 83 L 7.73 4.06 0.00 1.78 1.72 0.73 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.26 4.26 0.00 1.85 1.94 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.58 7.81 85 A 7.61 4.06 1.40 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 0.00 0.00 86 W 8.45 4.22 0.00 3.50 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 87 D 9.07 4.52 0.00 3.07 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 88 A 7.89 4.00 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 89 D 8.14 4.31 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 3.90 0.00 1.98 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 91 M 7.32 4.05 0.00 1.90 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.76 0.00 92 K 7.18 4.25 0.00 1.75 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 93 I 6.77 4.53 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.66 0.00 0.00 94 D 8.04 4.46 0.00 2.76 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 95 Q 8.37 3.36 0.00 1.80 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 96 A 7.71 3.81 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 97 T 7.62 3.73 4.41 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 1.08 0.00 0.00 98 L 7.73 3.98 0.00 1.60 1.49 0.89 1.32 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 99 F 7.89 4.55 0.00 3.09 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 0.00 100 E 8.20 4.06 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 2.51 2.51 0.00 101 L 7.72 4.07 0.00 1.99 1.70 0.80 0.73 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 0.00 102 I 7.80 3.67 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.12 0.93 0.00 0.00 103 L 8.15 4.00 0.00 1.86 1.74 0.98 0.92 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 0.00 104 A 7.81 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 3.95 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 0.00 106 N 8.19 4.36 0.00 2.86 2.91 0.00 0.00 7.19 6.97 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 0.00 107 Y 7.73 4.40 0.00 3.01 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.10 4.16 0.00 1.65 1.56 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.25 5.01 0.00 2.59 2.73 0.00 0.00 6.77 7.94 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 0.00 110 I 7.67 4.25 1.92 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 1.21 0.56 1.03 0.00 0.00 111 K 8.44 3.99 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.19 4.42 0.00 3.04 3.01 0.00 0.00 5.94 7.79 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 0.00 113 L 7.98 4.02 0.00 1.78 1.85 0.01 0.45 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 0.00 114 L 7.99 4.36 0.00 1.79 1.59 0.94 1.32 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 0.00 115 D 8.02 4.54 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.78 4.55 0.00 1.84 1.81 1.00 0.71 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 0.00 117 T 7.56 3.83 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 1.23 0.00 0.00 118 C 8.15 4.00 0.00 3.14 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 0.00 119 Q 8.22 4.27 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 120 T 7.47 3.97 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 121 V 8.03 3.87 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 1.19 0.00 0.00 1.17 0.00 0.00 122 A 8.60 4.08 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 0.00 123 D 7.85 4.37 0.00 2.95 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 0.00 124 M 7.94 4.26 0.00 2.04 2.50 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 125 I 7.80 4.28 2.01 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 1.90 0.85 0.96 0.00 0.00 126 K 7.80 4.11 0.00 1.76 1.88 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 127 G 8.78 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 K 8.61 4.49 0.00 1.77 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.31 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.67 7.81 129 T 8.09 4.56 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 0.00 130 P 0.00 4.37 0.00 2.21 2.20 0.00 3.61 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 2.12 2.17 0.00 131 E 8.14 3.91 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 132 E 7.91 3.94 0.00 2.30 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 2.36 2.41 0.00 133 I 8.24 4.01 2.13 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 1.86 0.79 1.03 0.00 0.00 134 R 8.47 4.25 0.00 2.37 2.22 0.00 2.95 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 135 T 8.39 4.00 4.43 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 1.21 0.00 0.00 136 T 7.91 4.47 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 1.22 0.00 0.00 137 F 8.44 4.85 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.18 4.20 0.00 2.83 2.86 0.00 0.00 6.81 7.94 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 0.00 139 I 8.50 4.54 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.86 0.00 0.00 140 K 8.59 4.02 0.00 1.85 1.82 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.77 4.35 0.00 2.74 2.84 0.00 0.00 7.12 8.47 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 0.00 142 D 8.11 4.82 0.00 2.73 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 0.00 143 F 8.45 4.83 0.00 3.27 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 0.00 144 T 8.71 4.10 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 1.37 0.00 0.00 145 P 0.00 4.30 0.00 2.17 2.14 0.00 3.61 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 2.12 2.19 0.00 146 E 8.08 3.90 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 2.40 2.45 0.00 147 E 7.91 3.88 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 2.39 2.38 0.00 148 E 8.07 3.16 0.00 1.86 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 2.16 2.05 0.00 149 E 7.97 3.72 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 150 E 8.28 3.75 0.00 2.14 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 2.27 2.29 0.00 151 V 7.73 3.43 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 0.89 0.00 0.00 0.78 0.00 0.00 152 R 7.99 3.69 0.00 1.79 1.85 0.00 3.02 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 153 R 8.08 2.88 0.00 1.83 1.63 0.00 2.68 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 154 E 8.34 3.69 0.00 2.09 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 0.00 2.27 2.46 0.00 155 N 8.15 4.33 0.00 2.82 2.86 0.00 0.00 7.03 7.25 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 0.00 156 Q 7.66 4.50 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 157 W 8.22 4.84 0.00 3.39 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.74 4.28 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 0.00 159 F 7.86 4.89 0.00 3.10 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 0.00 160 E 9.11 4.61 0.00 2.08 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 2.14 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.