NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5799 8.3016 107.8458 45.7066 0.0000 173.3320 4 L 4.0430 8.4874 125.2064 54.2954 43.1937 170.2944 5 V 4.8597 8.8066 127.1715 60.9786 34.8280 173.8124 6 A 4.8748 9.0488 129.3630 50.1566 22.2085 175.0245 7 S 5.2204 8.5490 115.9464 57.5881 66.5690 175.0817 8 N 4.5111 8.9564 116.1852 53.3640 37.8527 174.5708 9 L 3.9296 7.5765 118.1428 56.2568 41.1693 176.2286 10 N 5.1605 8.5720 123.4439 51.5617 37.2920 173.3232 11 L 4.4868 9.0923 127.1810 54.8165 43.1445 176.0539 12 K 5.0118 9.4916 123.9936 53.7167 34.8776 174.3285 13 P 3.0966 0.0000 0.0000 64.2921 31.6246 175.7057 14 G 3.9947 8.5231 110.8443 45.4177 0.0000 174.0024 15 E 4.2979 8.1538 118.6428 56.3134 31.2922 175.5490 16 C 4.8827 9.0422 122.6556 57.5788 34.2955 172.1616 17 L 4.7812 8.7395 128.9503 53.2938 43.2165 175.0972 18 K 4.6420 8.5282 128.2679 54.6208 34.5086 174.7948 19 V 4.6725 8.7470 127.4625 61.0011 34.4016 174.0396 20 R 5.1323 8.3202 127.0787 54.8492 33.5299 174.1645 21 G 3.7952 9.1055 112.0026 45.5962 0.0000 171.1800 22 E 5.1963 8.2282 118.0256 54.1305 32.0365 175.7235 23 L 4.7720 9.1030 124.3545 54.1718 43.1142 176.6805 24 A 4.2029 8.4918 124.8989 51.4478 19.0878 177.0063 25 P 4.5268 0.0000 0.0000 64.7808 31.6092 176.8187 26 D 4.7926 7.6089 117.0318 51.8021 39.7536 175.7648 27 A 3.9334 7.9311 121.9783 54.2601 18.6686 178.1487 28 K 4.3759 9.8426 123.3131 57.5207 33.4121 177.2182 29 S 5.3659 7.5498 111.6695 58.0477 64.2632 175.3375 30 F 5.5327 7.6394 116.1645 55.5233 41.8184 173.2878 31 V 4.5785 9.7784 119.3253 61.1892 35.6009 174.1424 32 L 5.0987 8.5826 126.1967 53.8308 45.3853 174.4405 33 N 5.6536 9.5760 124.4183 51.5169 41.7598 173.8430 34 L 5.2650 9.4046 122.3534 52.0694 45.7046 176.6227 35 G 4.2536 8.0027 109.8409 46.9538 0.0000 174.6730 36 K 4.1553 8.7364 120.2346 57.9387 33.4223 175.7275 37 D 3.8688 7.3011 116.0327 51.7715 41.6903 175.8920 38 S 3.8643 7.7365 113.5166 60.8149 62.6699 174.8629 39 N 4.6262 8.2648 116.5740 53.1438 39.1070 173.8088 40 N 5.3357 8.0604 116.4452 51.0299 40.0041 171.3404 41 L 5.1564 8.4781 121.6071 53.1260 43.5042 176.9522 42 C 4.4024 9.0345 119.2697 60.0091 30.8760 173.7760 43 L 4.5174 7.7792 121.8816 53.9753 45.5544 173.6908 44 H 5.1750 9.1330 126.3741 54.5273 31.9916 171.8943 45 F 4.2981 9.2196 129.9627 56.9307 39.6802 172.8791 46 N 4.9907 8.4559 126.1331 49.6115 38.7954 170.0573 47 P 4.3657 0.0000 0.0000 61.8105 33.6048 175.7970 48 R 4.6335 8.9496 123.1456 54.4796 31.8558 176.6457 49 F 3.9274 9.3039 124.2011 60.3799 40.2836 174.5744 50 N 5.0313 8.4453 113.4724 53.5399 41.2134 173.4960 51 A 4.2704 9.1635 126.1611 52.6861 22.6259 176.2749 52 H 3.8805 9.8441 116.4630 56.6954 26.2875 176.0364 53 G 3.9611 8.5875 106.1027 45.1964 0.0000 173.2369 54 D 4.8900 8.0552 119.3001 52.0170 43.4397 175.0354 55 A 4.8823 8.0809 124.9626 51.6090 22.0306 175.5983 56 N 2.0000 7.9229 117.9291 53.5262 37.0132 174.5761 57 T 4.6012 7.1041 110.7210 60.3931 71.7235 172.7807 58 I 4.3383 8.2940 128.7198 60.1020 39.1125 174.6624 59 V 4.3978 8.0753 127.2424 61.2984 33.6685 174.3006 60 C 5.5814 8.3304 125.1009 57.7118 31.6796 172.1690 61 N 5.1733 7.4982 117.9874 53.6274 42.2282 172.6755 62 S 5.4220 8.6803 114.3869 56.3763 67.2996 172.6755 63 K 4.9035 9.1428 121.8876 54.6443 35.3033 174.1277 64 D 4.9137 8.8966 127.1550 52.5304 43.4794 175.3931 65 D 4.2888 10.2455 127.8711 55.1134 40.2531 174.4187 66 G 3.7874 8.3929 107.0582 44.7550 0.0000 174.0217 67 T 4.3586 7.4803 110.7368 59.2757 70.3970 174.4440 68 W 4.7709 8.5395 125.1682 57.2611 29.9545 176.4336 69 G 4.4230 8.7825 110.1498 45.8000 0.0000 172.8136 70 T 4.4576 8.5316 117.7728 63.2481 69.4010 174.7971 71 E 4.5053 8.7875 125.7173 56.2332 30.7897 175.8521 72 Q 4.6089 8.9249 124.4131 54.4490 31.8868 174.0641 73 R 4.9955 8.6715 125.1069 54.4943 32.8731 175.2314 74 E 4.4369 8.5866 122.4071 54.6997 31.6982 177.3981 75 T 3.7548 8.6244 118.6847 64.5887 67.8868 174.9308 76 A 4.1299 7.7321 123.4067 52.8737 18.9354 177.8692 77 F 4.7405 8.2108 123.4318 56.9457 40.7498 172.4437 78 P 4.4860 0.0000 0.0000 62.0329 31.2003 176.9469 79 F 5.1803 7.1458 114.9536 56.6353 42.8597 175.2712 80 Q 4.9158 8.7710 120.9976 53.5546 32.5025 173.6168 81 P 4.1592 0.0000 0.0000 63.2000 31.9756 175.6533 82 G 4.1919 8.6809 106.9750 46.9622 0.0000 172.9138 83 S 4.8144 7.6934 111.2335 56.5928 67.5378 172.2424 84 I 5.0841 8.3272 120.2972 59.9804 39.2077 175.3456 85 T 4.9862 9.0699 115.9303 60.7749 72.8376 171.8985 86 E 5.1921 8.6364 117.5442 55.7178 32.7237 174.7767 87 V 4.4194 8.5630 120.4691 61.4931 35.6014 173.3546 *89 I 4.3128 8.1654 118.5055 61.8796 38.6286 175.2006 90 T 5.3748 8.5584 121.6803 61.0146 73.0819 172.4078 91 F 5.4718 8.3282 115.8388 56.9111 40.3030 172.4749 92 D 4.4115 8.8269 117.4704 52.2448 42.2957 176.4494 93 Q 4.3671 9.1596 117.9454 58.5617 28.2752 178.5870 94 A 3.8179 7.5109 119.0838 54.7555 18.5401 177.8023 95 D 5.1809 7.9447 111.2630 52.3314 43.9942 174.0988 96 L 4.8063 9.2347 118.6846 54.0308 44.4209 176.6388 97 T 4.6956 8.7717 118.1294 61.9374 71.3863 173.1679 98 I 4.0887 7.8285 128.5714 60.0859 38.6451 175.1216 99 K 4.4082 8.2562 128.3570 54.3997 33.7012 175.7242 100 L 4.3312 8.4217 128.0516 53.4750 42.3264 176.8142 101 P 4.2648 0.0000 0.0000 65.6857 31.1871 176.8098 102 D 4.4947 7.7476 116.5323 53.4210 39.5000 176.2980 103 G 4.3523 7.9289 115.0800 46.6245 0.0000 174.5821 104 H 4.5882 7.6071 116.6663 54.4195 29.4674 174.1119 105 E 5.0817 8.5159 117.9745 54.4823 32.7274 174.2948 106 F 5.1938 8.0253 114.2331 55.2953 41.9827 173.3727 107 K 5.2214 8.9495 117.5383 54.6989 35.3957 175.7231 108 F 5.0128 8.9980 124.4701 55.5662 42.6026 172.1992 109 P 4.4140 0.0000 0.0000 62.5291 31.6111 177.0255 110 N 4.7694 8.3974 123.0567 52.1749 37.4621 175.1098 111 R 3.9262 8.0310 122.0339 59.6142 30.6690 178.7691 112 L 4.0849 7.9945 114.0205 55.3871 41.7256 176.3343 113 N 4.2482 8.1212 117.0328 54.4216 37.9288 173.6405 114 M 4.4979 8.1609 111.8542 54.3071 32.9896 175.0980 115 E 4.7709 8.2693 119.6977 55.4728 30.2143 175.0721 116 A 5.3687 7.4763 114.2823 51.6381 21.1974 176.9218 117 I 4.0179 7.8567 124.5219 62.0103 38.3213 176.5921 118 N 5.8654 9.5411 121.0602 51.4557 41.7194 173.3198 119 Y 5.3030 8.0175 119.5784 56.0696 42.6780 173.6989 120 M 5.5288 8.2743 122.9719 54.1199 36.5921 173.4033 121 A 4.9984 8.2540 125.2797 50.6645 23.0572 174.6741 122 A 5.2762 8.8825 124.1820 50.6993 21.9571 175.2149 123 D 4.7824 9.3355 119.3324 54.2573 45.5528 175.4656 124 G 4.0235 8.8085 107.2223 45.0727 0.0000 173.2769 125 D 4.8385 8.5861 116.0272 53.2949 39.3345 177.0154 126 F 4.9703 7.7886 119.2735 56.5085 42.9414 174.2382 127 K 4.2408 8.1671 128.3314 54.3387 33.6394 175.3751 128 I 3.8644 7.9913 128.9543 61.4217 37.4194 176.2659 129 K 4.3019 8.6967 124.1385 56.3948 33.8334 176.2801 *131 V 3.9567 7.6987 119.5793 62.6355 32.3421 174.2227 132 A 4.7622 8.8086 128.9762 50.2432 22.8108 174.6866 133 F 5.3595 8.9119 118.0956 54.9995 40.1693 175.1632 134 E 4.4001 8.8989 120.8824 56.1024 29.6692 176.1879 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 G 8.30 4.58 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 0.00 0.00 0.00 4 L 8.49 4.04 0.00 1.86 1.56 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.81 4.86 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 0.98 0.00 0.00 1.04 0.00 0.00 6 A 9.05 4.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.55 5.22 0.00 3.97 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 8 N 8.96 4.51 0.00 2.96 3.06 0.00 0.00 7.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.58 3.93 0.00 1.81 1.83 1.06 0.75 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 10 N 8.57 5.16 0.00 2.78 2.92 0.00 0.00 6.32 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 11 L 9.09 4.49 0.00 1.71 1.95 1.13 1.22 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 12 K 9.49 5.01 0.00 1.79 1.72 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.62 7.81 13 P 0.00 3.10 0.00 1.79 1.58 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 14 G 8.52 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 0.00 0.00 0.00 15 E 8.15 4.30 0.00 2.13 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 2.36 2.46 0.00 16 C 9.04 4.88 0.00 2.96 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 17 L 8.74 4.78 0.00 1.62 1.50 0.48 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.53 4.64 0.00 1.80 1.54 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 V 8.75 4.67 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 1.10 0.00 0.00 0.86 0.00 0.00 20 R 8.32 5.13 0.00 1.88 1.68 0.00 3.26 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 21 G 9.11 3.80 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 0.00 0.00 0.00 22 E 8.23 5.20 0.00 1.94 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 2.12 2.10 0.00 23 L 9.10 4.77 0.00 1.56 1.56 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.49 4.20 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 25 P 0.00 4.53 0.00 2.02 2.11 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 26 D 7.61 4.79 0.00 2.69 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 27 A 7.93 3.93 0.56 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 28 K 9.84 4.38 0.00 2.01 1.90 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 29 S 7.55 5.37 0.00 4.13 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 30 F 7.64 5.53 0.00 3.29 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 31 V 9.78 4.58 2.18 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 1.06 0.00 0.00 0.93 0.00 0.00 32 L 8.58 5.10 0.00 1.89 1.52 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.58 5.65 0.00 2.74 2.87 0.00 0.00 6.33 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 34 L 9.40 5.26 0.00 1.53 1.46 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.00 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 0.00 0.00 0.00 0.00 36 K 8.74 4.16 0.00 1.71 1.83 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 D 7.30 3.87 0.00 2.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 3.86 0.00 3.93 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 39 N 8.26 4.63 0.00 2.64 2.81 0.00 0.00 6.59 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.06 5.34 0.00 2.63 2.64 0.00 0.00 6.85 6.23 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 41 L 8.48 5.16 0.00 1.68 1.79 1.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 C 9.03 4.40 0.00 3.04 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 43 L 7.78 4.52 0.00 1.76 1.49 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.13 5.17 0.00 3.55 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.22 4.30 0.00 3.05 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 46 N 8.46 4.99 0.00 2.39 2.48 0.00 0.00 6.81 7.28 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 47 P 0.00 4.37 0.00 1.46 1.46 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 48 R 8.95 4.63 0.00 1.60 1.84 0.00 3.03 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 49 F 9.30 3.93 0.00 3.35 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.45 5.03 0.00 2.71 2.73 0.00 0.00 7.06 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 51 A 9.16 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.84 3.88 0.00 3.27 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.59 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 54 D 8.06 4.89 0.00 2.73 2.44 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 55 A 8.08 4.88 1.10 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 0.00 0.00 56 N 7.92 2.00 0.00 2.40 2.11 0.00 0.00 6.66 7.15 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 57 T 7.10 4.60 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 1.11 0.00 0.00 58 I 8.29 4.34 1.70 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.68 0.51 0.00 0.00 59 V 8.08 4.40 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 0.88 0.00 0.00 0.79 0.00 0.00 60 C 8.33 5.58 0.00 3.05 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 0.00 0.00 0.00 0.00 61 N 7.50 5.17 0.00 2.70 2.75 0.00 0.00 6.43 7.63 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 62 S 8.68 5.42 0.00 4.19 4.29 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 63 K 9.14 4.90 0.00 1.19 1.42 0.00 1.11 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 0.76 7.81 64 D 8.90 4.91 0.00 2.73 2.47 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 65 D 10.25 4.29 0.00 2.71 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 66 G 8.39 3.79 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 0.00 0.00 0.00 67 T 7.48 4.36 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 68 W 8.54 4.77 0.00 3.21 3.13 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 0.00 0.00 0.00 0.00 69 G 8.78 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.53 4.46 4.28 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 1.23 0.00 0.00 71 E 8.79 4.51 0.00 1.83 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 2.21 2.21 0.00 72 Q 8.92 4.61 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 73 R 8.67 5.00 0.00 1.64 1.71 0.00 3.14 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 74 E 8.59 4.44 0.00 1.39 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 1.62 1.47 0.00 75 T 8.62 3.75 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 1.17 0.00 0.00 76 A 7.73 4.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.21 4.74 0.00 2.98 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 78 P 0.00 4.49 0.00 1.85 2.02 0.00 3.24 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.77 0.00 79 F 7.15 5.18 0.00 2.14 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 80 Q 8.77 4.92 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 81 P 0.00 4.16 0.00 2.00 1.91 0.00 3.92 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 1.97 1.60 0.00 82 G 8.68 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 0.00 0.00 0.00 0.00 83 S 7.69 4.81 0.00 3.89 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 84 I 8.33 5.08 1.88 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 1.36 0.63 0.92 0.00 0.00 85 T 9.07 4.99 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 86 E 8.64 5.19 0.00 2.16 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 2.20 2.32 0.00 87 V 8.56 4.42 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 0.62 0.00 0.00 0.94 0.00 0.00 *89 I 8.17 4.31 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.27 0.87 0.00 0.00 90 T 8.56 5.37 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 1.27 0.00 0.00 91 F 8.33 5.47 0.00 3.17 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 92 D 8.83 4.41 0.00 2.72 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 0.00 0.00 0.00 0.00 93 Q 9.16 4.37 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.92 0.00 94 A 7.51 3.82 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 95 D 7.94 5.18 0.00 3.12 2.85 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 96 L 9.23 4.81 0.00 1.77 1.78 1.22 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.77 4.70 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 1.21 0.00 0.00 98 I 7.83 4.09 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.14 0.49 0.00 0.00 99 K 8.26 4.41 0.00 1.64 1.61 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.46 7.81 100 L 8.42 4.33 0.00 2.01 1.43 1.13 0.97 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 0.00 101 P 0.00 4.26 0.00 2.15 2.35 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 102 D 7.75 4.49 0.00 2.69 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 0.00 103 G 7.93 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 0.00 104 H 7.61 4.59 0.00 3.28 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.52 5.08 0.00 2.06 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 2.18 2.26 0.00 106 F 8.03 5.19 0.00 3.22 3.23 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 0.00 0.00 0.00 0.00 107 K 8.95 5.22 0.00 1.73 1.82 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 108 F 9.00 5.01 0.00 3.28 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.41 0.00 1.95 1.92 0.00 2.98 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.66 0.00 110 N 8.40 4.77 0.00 2.98 3.12 0.00 0.00 6.92 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 0.00 111 R 8.03 3.93 0.00 1.89 2.03 0.00 3.32 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 112 L 7.99 4.08 0.00 1.66 1.75 1.00 1.15 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 0.00 113 N 8.12 4.25 0.00 2.80 2.86 0.00 0.00 7.11 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 8.16 4.50 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 115 E 8.27 4.77 0.00 2.12 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 2.32 2.41 0.00 116 A 7.48 5.37 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.86 4.02 1.77 0.00 0.00 -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 1.08 0.29 0.92 0.00 0.00 118 N 9.54 5.87 0.00 2.66 2.83 0.00 0.00 6.28 8.34 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 0.00 119 Y 8.02 5.30 0.00 3.14 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 0.00 120 M 8.27 5.53 0.00 1.98 1.75 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 2.42 2.24 0.00 121 A 8.25 5.00 1.10 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 0.00 0.00 122 A 8.88 5.28 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 9.34 4.78 0.00 2.83 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 0.00 124 G 8.81 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 0.00 125 D 8.59 4.84 0.00 2.69 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 0.00 126 F 7.79 4.97 0.00 2.53 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 0.00 127 K 8.17 4.24 0.00 1.72 1.43 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.27 7.81 128 I 7.99 3.86 1.75 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 1.29 0.46 0.84 0.00 0.00 129 K 8.70 4.30 0.00 1.49 1.72 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.38 7.81 *131 V 7.70 3.96 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 0.45 0.00 0.00 0.88 0.00 0.00 132 A 8.81 4.76 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 0.00 133 F 8.91 5.36 0.00 2.86 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 0.00 134 E 8.90 4.40 0.00 2.07 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 2.17 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.