NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4398 8.0433 122.7626 55.1448 43.5525 175.0154 2 N 5.1051 8.6578 123.7205 50.9736 41.5893 172.5548 3 G 4.0224 7.4482 109.1614 45.3605 0.0000 170.5063 4 N 5.0795 8.3520 115.7395 52.1852 41.2058 174.4194 5 G 3.6582 7.0154 104.5512 47.1680 0.0000 172.2188 6 S 5.1589 8.4476 113.5988 57.7496 66.9147 174.0336 7 I 4.8285 8.4919 120.8689 59.6768 41.3321 174.1874 8 E 4.9083 8.7713 125.1977 55.3228 30.9451 175.5495 9 L 4.9208 8.7512 123.3404 52.8255 46.0196 176.2993 10 K 4.2773 10.5071 123.2857 57.4543 31.8285 176.6624 11 G 4.3088 7.4733 116.5577 44.1797 0.0000 171.3562 12 T 4.2832 10.6836 111.4535 60.5769 71.0725 175.9829 13 V 3.6546 8.3105 120.3403 66.4174 31.4793 177.4722 14 E 4.1152 8.2894 118.3134 59.4908 29.4233 178.5189 15 E 4.0574 8.0702 118.2826 59.1888 29.5050 179.5728 16 V 3.6375 8.1126 118.3768 65.7782 31.8637 177.6883 17 W 4.2779 8.7622 128.8833 60.8009 30.2943 178.0618 18 S 4.2248 8.0183 112.2843 61.1286 62.7904 176.4041 19 K 4.0804 7.6898 121.8230 59.3333 31.6832 179.3163 20 L 4.0813 7.8448 117.7451 56.9762 41.5484 178.3360 21 M 4.2196 7.1480 115.8552 54.0846 32.7365 175.9950 22 D 4.5778 7.5007 120.2712 52.1103 41.7476 174.6063 23 P 4.0900 0.0000 0.0000 65.7059 31.1188 178.3911 24 S 4.1323 8.1052 113.7769 61.3788 62.9920 176.4286 25 I 3.8287 7.6005 122.9580 63.8221 36.8617 178.2072 26 L 3.9989 7.8731 119.9109 57.9602 41.3016 179.1198 27 S 4.0234 7.6828 111.5735 61.8577 62.2413 176.3481 28 K 4.1266 7.5197 118.2599 59.2079 31.8786 178.5046 29 C 4.3639 8.0831 115.6923 59.6178 28.4249 173.3862 30 I 4.2513 7.6374 123.4280 60.2684 37.5364 174.9776 31 M 4.1497 8.4337 125.7122 56.6916 32.8097 176.3734 32 G 3.9170 8.9307 114.1639 45.0777 0.0000 172.3082 33 C 4.6298 7.4949 120.3289 59.3774 31.5886 172.8245 34 K 4.4757 8.8777 127.8415 58.3717 32.8638 177.6366 35 S 4.6778 7.8264 112.5912 56.7305 66.7377 173.1600 36 L 5.0732 8.5829 122.0079 53.3394 43.4122 175.1678 37 E 4.5905 9.2715 126.7793 53.9549 31.4498 174.8985 38 L 4.0731 8.7704 129.7327 55.4393 42.3365 176.3940 39 I 4.4128 8.2974 118.0290 59.5765 38.6709 174.7738 40 G 3.7137 6.8922 108.1600 45.4866 0.0000 172.1478 41 E 3.9391 8.7615 120.6923 56.5010 29.4481 175.8287 42 D 4.4762 8.7005 126.9404 55.0724 38.5894 173.1377 43 K 5.0176 7.3199 119.0711 55.1509 35.4369 174.3418 44 Y 5.2141 9.5005 124.6463 55.9788 42.5688 174.3088 45 K 5.0059 9.2755 122.1913 54.7299 34.9714 174.4289 46 A 5.1918 9.0800 129.7309 50.2530 21.8737 174.7462 47 D 4.8992 8.8741 122.8300 53.0591 42.4186 174.8344 48 L 5.0477 8.9105 127.3953 53.1823 43.7131 175.8736 49 Q 4.8743 9.3984 123.9846 54.4250 30.7518 174.3493 50 I 4.5552 8.8752 126.6280 59.7276 38.2066 177.4066 51 G 3.6606 8.8681 116.5273 47.0174 0.0000 173.0620 52 I 3.5512 7.9997 120.8261 61.9522 37.1431 176.1665 53 A 3.9285 8.9695 129.0495 55.3430 18.2957 179.3728 54 A 4.0887 8.0070 116.3325 54.6537 18.5776 178.4474 55 V 4.4827 7.7314 106.2317 60.4514 33.2768 175.6622 56 K 4.6877 7.0078 120.4149 55.2745 32.4398 176.2760 57 G 4.1163 7.7672 115.2491 45.0931 0.0000 170.6361 58 K 5.0568 7.4095 118.8787 54.7285 34.6542 175.2963 59 Y 4.9480 9.1763 121.4962 56.4264 42.7004 173.8054 60 D 5.5129 9.1981 122.1184 52.6699 43.8749 175.3009 61 A 5.1837 8.7752 123.4588 50.2907 22.7016 174.7925 62 I 4.6980 9.2756 124.3313 60.0886 39.3172 174.9008 63 I 4.8106 8.8014 128.0708 59.5786 40.0244 174.0442 64 E 5.0917 9.2338 129.6474 54.3617 31.6047 174.8566 65 V 4.6069 8.9226 128.9149 62.6541 32.1878 174.8883 66 T 4.6838 8.8002 117.9856 59.1548 72.7942 172.7581 67 D 4.4608 8.6032 117.5511 55.2094 39.5356 173.7505 68 I 4.3321 7.8414 118.2429 60.8985 37.8158 176.8068 69 K 4.3066 9.1645 126.2734 53.6548 32.2055 174.0167 70 P 2.9700 0.0000 0.0000 60.8345 32.3253 174.2887 71 P 2.9700 0.0000 0.0000 62.5384 31.8963 175.6827 72 Y 4.9701 6.9245 116.0831 57.8148 40.4746 174.4958 73 H 5.6120 7.3828 119.8060 55.1658 33.8488 171.4107 74 Y 5.4031 8.6340 122.0811 56.1295 42.1116 173.3045 75 K 5.0632 9.3170 118.4921 54.5556 35.9921 175.4887 76 L 5.2833 8.9945 122.5229 52.9855 45.3171 175.3974 77 L 5.1211 9.0494 123.3257 52.9112 44.7342 175.4966 78 V 4.8382 9.1556 124.0915 61.0811 34.5165 173.8121 79 N 5.4385 9.3831 125.7294 51.6573 41.1289 173.6597 80 G 4.5357 9.0911 111.5835 44.4990 0.0000 170.5724 81 E 5.4278 9.3748 122.7289 55.2397 33.9484 174.2924 82 G 4.0811 8.9914 111.8402 46.6198 0.0000 173.9163 83 G 3.9598 8.8772 108.4854 48.5464 0.0000 173.4353 84 P 4.3763 0.0000 0.0000 62.9671 32.2523 177.1036 85 G 4.0258 6.3568 105.9338 44.8392 0.0000 171.5519 86 F 5.5676 8.0044 115.4036 55.3740 42.3718 174.3649 87 V 4.7056 8.9749 118.6894 61.7076 34.7100 173.3372 88 N 5.5047 9.5479 126.4904 51.6237 40.7805 174.0080 89 A 5.4576 9.4807 125.4838 50.0653 23.1356 174.3772 90 E 5.2047 9.4587 118.2862 54.6461 33.2321 175.0588 91 G 4.6485 9.1333 107.6941 44.7574 0.0000 171.2060 92 V 4.9122 8.7267 119.5448 60.8499 34.8752 174.2734 93 I 5.1168 8.5825 128.1059 59.5510 40.3842 174.1855 94 D 5.4968 8.7224 125.6254 52.5743 44.5194 174.5312 95 L 5.1431 9.4730 123.8085 53.5540 43.6967 176.1526 96 T 4.7452 9.0191 120.3991 60.8529 71.9714 171.7609 97 P 4.7749 0.0000 0.0000 62.6425 32.0059 176.2191 98 I 4.2538 8.5663 116.7081 61.6581 39.0379 175.2553 99 N 4.6787 7.4751 117.1225 52.5009 38.9712 173.6544 100 D 4.4711 8.9775 115.8742 57.4944 40.9100 176.7364 101 E 4.6409 9.7303 117.3963 56.2915 31.4432 175.5771 102 C 5.0477 7.9823 120.0117 57.8740 35.5117 172.4101 103 T 5.0611 8.5940 121.3581 61.7886 71.8211 172.5736 104 Q 4.8337 9.4881 128.3443 54.5528 30.8896 173.8773 105 L 5.1132 8.6673 129.6675 54.2846 43.7628 175.3126 106 T 5.2580 8.5411 115.4316 60.2572 72.3799 172.2526 107 Y 5.8204 8.1634 120.0103 56.0578 42.4021 173.3796 108 T 5.2677 8.6095 113.4024 60.9653 71.3943 171.8058 109 Y 5.4962 9.0231 125.0016 56.0993 42.4633 173.8412 110 S 4.9879 9.5502 114.9151 57.1640 65.9258 172.4959 111 A 5.2198 9.3662 129.2768 50.1825 21.8972 174.5142 112 E 4.3746 9.6415 124.6092 55.0554 31.1171 174.9072 113 V 4.5823 8.3926 127.0100 61.0509 33.9000 174.5084 114 G 3.3754 8.4297 114.6106 44.8345 0.0000 172.0724 115 G 4.3362 8.5010 106.1043 44.2991 0.0000 173.9252 116 K 4.0250 8.5708 117.0418 59.9803 31.9374 179.2120 117 V 3.7045 8.0247 119.8262 64.2014 31.0292 178.1188 118 A 3.9607 7.7285 120.6412 54.5645 18.1035 178.7852 119 A 4.1625 8.0067 119.1842 54.0289 18.4430 179.4138 120 I 3.6470 7.1789 110.2026 62.1691 37.8087 176.1691 121 G 4.1496 7.6247 108.6727 44.0648 0.0000 175.0144 122 Q 3.9764 8.7743 122.4041 58.8317 29.2807 178.1791 123 R 4.0022 7.9873 117.7611 59.4161 30.8641 178.0899 124 M 3.8150 8.6381 117.1734 59.5075 34.1923 180.4335 125 L 2.9582 9.0105 112.8435 52.9250 44.8240 179.8064 126 G 4.3430 8.9664 118.1838 46.3741 0.0000 176.1689 127 G 3.5594 9.0561 110.1977 47.3180 0.0000 174.9225 128 V 3.4983 8.3080 120.7443 65.8130 31.4804 177.8448 129 A 3.8209 8.3830 120.6702 55.1409 18.1770 179.4895 130 K 3.6923 7.9286 118.0124 59.4474 32.2272 178.7814 131 L 3.9621 8.3264 121.0064 57.9603 41.9169 178.9911 132 L 3.8911 8.3790 119.1983 57.7910 41.5089 179.3237 133 I 3.3603 7.8314 120.0051 64.5830 36.9969 178.5773 134 S 4.3800 8.5272 116.1345 61.8952 62.7163 176.4167 135 D 4.3099 8.2587 120.6202 57.0674 40.9022 178.1122 136 F 4.2723 8.2778 122.7912 60.9281 39.4398 177.3102 137 F 4.4149 8.3273 117.5205 60.0776 38.4996 177.7222 138 K 3.9706 8.4167 120.0299 59.5407 32.0769 179.0502 139 K 4.0315 7.9383 118.5668 59.0288 31.8848 179.5277 140 I 3.5206 7.5450 120.4552 64.2815 36.9351 178.1126 141 Q 3.9224 8.1891 120.4599 58.9509 28.7534 178.3835 142 K 3.9157 7.7490 120.4763 59.6376 32.0822 178.7990 143 E 4.0308 8.0508 117.5603 58.9872 29.5940 179.0830 144 I 3.8048 8.0085 120.1202 64.2948 37.0022 177.8127 145 A 3.9525 7.8302 120.0979 55.4657 18.2250 179.2450 146 K 3.9852 7.4939 114.7357 60.1710 32.2539 179.1952 147 S 4.3426 7.7482 113.5510 60.9072 63.5022 174.3083 *156 H 5.1253 7.7246 122.1366 56.5104 30.1778 170.8439 157 H 4.7874 8.5583 124.7249 55.4734 31.4365 172.9061 158 H 5.2648 8.7855 124.7225 54.7140 32.6814 171.4848 159 H 4.8612 9.0859 126.1833 54.4685 32.3766 173.8061 160 H 4.3848 8.3885 123.5155 56.2136 29.8725 173.6537 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 L 8.04 4.44 0.00 1.84 1.89 1.00 0.33 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 2 N 8.66 5.11 0.00 2.59 2.54 0.00 0.00 6.89 6.77 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 3 G 7.45 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.35 5.08 0.00 2.71 2.73 0.00 0.00 7.14 6.26 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 5 G 7.02 3.66 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 0.00 0.00 0.00 6 S 8.45 5.16 0.00 3.83 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 7 I 8.49 4.83 1.54 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.83 0.00 0.00 8 E 8.77 4.91 0.00 1.84 1.87 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 2.25 2.32 0.00 9 L 8.75 4.92 0.00 1.54 1.51 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 10 K 10.51 4.28 0.00 1.73 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81 11 G 7.47 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 0.00 0.00 0.00 0.00 12 T 10.68 4.28 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 1.34 0.00 0.00 13 V 8.31 3.65 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 1.19 0.00 0.00 0.98 0.00 0.00 14 E 8.29 4.12 0.00 2.16 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 2.42 2.53 0.00 15 E 8.07 4.06 0.00 2.32 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 2.35 0.00 16 V 8.11 3.64 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 1.11 0.00 0.00 1.05 0.00 0.00 17 W 8.76 4.28 0.00 3.80 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 18 S 8.02 4.22 0.00 4.12 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 19 K 7.69 4.08 0.00 2.04 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.61 1.59 7.81 20 L 7.84 4.08 0.00 1.49 1.53 1.18 1.08 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 21 M 7.15 4.22 0.00 1.70 1.74 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.00 22 D 7.50 4.58 0.00 2.90 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 23 P 0.00 4.09 0.00 2.28 1.96 0.00 3.72 0.00 0.00 3.94 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 24 S 8.11 4.13 0.00 4.05 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 25 I 7.60 3.83 1.93 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 1.64 1.06 0.84 0.00 0.00 26 L 7.87 4.00 0.00 1.71 1.66 0.63 0.96 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 27 S 7.68 4.02 0.00 3.95 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 28 K 7.52 4.13 0.00 2.05 1.82 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 29 C 8.08 4.36 0.00 2.87 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 30 I 7.64 4.25 1.84 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 0.98 1.53 0.82 0.00 0.00 31 M 8.43 4.15 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 32 G 8.93 3.92 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 0.00 0.00 0.00 33 C 7.49 4.63 0.00 2.87 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.88 4.48 0.00 1.94 1.84 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.38 7.81 35 S 7.83 4.68 0.00 3.85 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 36 L 8.58 5.07 0.00 1.50 1.67 0.58 0.86 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 37 E 9.27 4.59 0.00 2.02 1.83 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 2.23 2.24 0.00 38 L 8.77 4.07 0.00 1.59 1.49 0.39 0.93 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 39 I 8.30 4.41 1.83 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 1.17 0.84 0.94 0.00 0.00 40 G 6.89 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 41 E 8.76 3.94 0.00 1.91 1.87 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 2.27 2.31 0.00 42 D 8.70 4.48 0.00 2.92 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 43 K 7.32 5.02 0.00 1.70 1.45 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 44 Y 9.50 5.21 0.00 2.89 2.91 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 45 K 9.28 5.01 0.00 1.76 1.66 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.37 7.81 46 A 9.08 5.19 1.21 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 0.00 0.00 47 D 8.87 4.90 0.00 2.84 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 48 L 8.91 5.05 0.00 1.71 1.58 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.40 4.87 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 50 I 8.88 4.56 2.04 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 1.11 0.68 0.94 0.00 0.00 51 G 8.87 3.66 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 0.00 0.00 0.00 52 I 8.00 3.55 1.86 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 1.33 0.89 0.92 0.00 0.00 53 A 8.97 3.93 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 0.00 0.00 0.00 0.00 0.00 54 A 8.01 4.09 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 55 V 7.73 4.48 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 0.68 0.00 0.00 0.97 0.00 0.00 56 K 7.01 4.69 0.00 1.97 1.75 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 57 G 7.77 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 0.00 0.00 0.00 0.00 58 K 7.41 5.06 0.00 1.59 1.65 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.39 7.81 59 Y 9.18 4.95 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.20 5.51 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.78 5.18 1.19 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 0.00 0.00 0.00 62 I 9.28 4.70 1.89 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 1.24 0.98 0.93 0.00 0.00 63 I 8.80 4.81 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.68 0.87 0.00 0.00 64 E 9.23 5.09 0.00 2.02 1.83 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 2.25 2.35 0.00 65 V 8.92 4.61 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 0.67 0.00 0.00 0.91 0.00 0.00 66 T 8.80 4.68 4.30 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 1.30 0.00 0.00 67 D 8.60 4.46 0.00 2.84 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 68 I 7.84 4.33 1.99 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 1.55 0.76 1.22 0.00 0.00 69 K 9.16 4.31 0.00 1.06 1.14 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.53 7.81 70 P 0.00 2.97 0.00 1.80 1.77 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 71 P 0.00 2.97 0.00 1.98 1.76 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 72 Y 6.92 4.97 0.00 3.18 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 73 H 7.38 5.61 0.00 3.41 2.65 0.00 5.86 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.63 5.40 0.00 3.23 3.19 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 0.00 75 K 9.32 5.06 0.00 1.75 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.44 7.81 76 L 8.99 5.28 0.00 1.53 1.52 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.05 5.12 0.00 1.57 1.57 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 78 V 9.16 4.84 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 0.76 0.00 0.00 0.85 0.00 0.00 79 N 9.38 5.44 0.00 2.73 2.73 0.00 0.00 6.23 8.81 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 80 G 9.09 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.37 5.43 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 82 G 8.99 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 83 G 8.88 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 84 P 0.00 4.38 0.00 2.31 2.12 0.00 3.04 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 85 G 6.36 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 0.00 0.00 0.00 86 F 8.00 5.57 0.00 3.24 3.16 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 87 V 8.97 4.71 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 0.97 0.00 0.00 0.80 0.00 0.00 88 N 9.55 5.50 0.00 2.86 2.78 0.00 0.00 6.20 7.16 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 89 A 9.48 5.46 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.46 5.20 0.00 2.03 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 2.22 2.28 0.00 91 G 9.13 4.65 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 0.00 0.00 0.00 92 V 8.73 4.91 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 1.01 0.00 0.00 0.97 0.00 0.00 93 I 8.58 5.12 0.66 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 0.89 0.00 0.00 94 D 8.72 5.50 0.00 2.57 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 95 L 9.47 5.14 0.00 1.70 1.74 1.39 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.02 4.75 4.38 0.00 0.00 0.00 0.00 0.00 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 97 P 0.00 4.77 0.00 2.17 2.07 0.00 3.74 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 1.97 1.93 0.00 98 I 8.57 4.25 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 1.51 0.66 0.91 0.00 0.00 99 N 7.48 4.68 0.00 2.79 2.78 0.00 0.00 6.07 8.06 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 0.00 100 D 8.98 4.47 0.00 2.67 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 0.00 101 E 9.73 4.64 0.00 1.89 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 2.24 2.23 0.00 102 C 7.98 5.05 0.00 2.94 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 0.00 103 T 8.59 5.06 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 1.27 0.00 0.00 104 Q 9.49 4.83 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 L 8.67 5.11 0.00 1.71 1.29 1.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.54 5.26 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 1.19 0.00 0.00 107 Y 8.16 5.82 0.00 3.16 3.18 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 0.00 108 T 8.61 5.27 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 1.25 0.00 0.00 109 Y 9.02 5.50 0.00 3.09 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 0.00 110 S 9.55 4.99 0.00 3.89 3.76 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 0.00 111 A 9.37 5.22 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 0.00 112 E 9.64 4.37 0.00 2.07 1.91 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 2.34 2.31 0.00 113 V 8.39 4.58 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 0.74 0.00 0.00 0.87 0.00 0.00 114 G 8.43 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.50 4.34 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 0.00 116 K 8.57 4.03 0.00 2.00 2.10 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.51 7.81 117 V 8.02 3.70 2.24 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 0.86 0.00 0.00 0.95 0.00 0.00 118 A 7.73 3.96 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 0.00 119 A 8.01 4.16 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 0.00 120 I 7.18 3.65 1.86 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 1.49 0.62 0.91 0.00 0.00 121 G 7.62 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.77 3.98 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 123 R 7.99 4.00 0.00 1.85 1.94 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 124 M 8.64 3.82 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 125 L 9.01 2.96 0.00 1.88 1.66 0.89 0.82 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 0.00 126 G 8.97 4.34 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 0.00 127 G 9.06 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.31 3.50 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 0.92 0.00 0.00 0.90 0.00 0.00 129 A 8.38 3.82 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 0.00 0.00 0.00 0.00 0.00 130 K 7.93 3.69 0.00 1.55 1.85 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.28 7.81 131 L 8.33 3.96 0.00 1.72 1.85 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.38 3.89 0.00 1.62 1.52 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.83 3.36 1.94 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 1.07 0.43 0.93 0.00 0.00 134 S 8.53 4.38 0.00 3.87 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 0.00 135 D 8.26 4.31 0.00 2.87 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 0.00 136 F 8.28 4.27 0.00 2.91 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 0.00 137 F 8.33 4.41 0.00 3.20 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 0.00 138 K 8.42 3.97 0.00 1.95 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 139 K 7.94 4.03 0.00 1.72 1.73 0.00 2.01 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 140 I 7.55 3.52 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.19 0.87 0.00 0.00 141 Q 8.19 3.92 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 142 K 7.75 3.92 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 143 E 8.05 4.03 0.00 1.93 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 2.46 2.42 0.00 144 I 8.01 3.80 2.03 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 1.46 0.68 nan 0.00 0.00 145 A 7.83 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 3.99 0.00 1.92 1.92 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 147 S 7.75 4.34 0.00 3.97 3.92 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 *156 H 7.72 5.13 0.00 3.26 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.56 4.79 0.00 3.29 3.18 0.00 5.68 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 0.00 158 H 8.79 5.26 0.00 3.39 3.17 0.00 5.94 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 9.09 4.86 0.00 3.14 3.11 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.39 4.38 0.00 3.13 3.13 0.00 6.01 0.00 0.00 0.00 0.00 6.91 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.