NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6426 8.0544 120.2794 60.2211 33.2743 170.8490 2 H 3.7118 8.0827 128.3686 55.1711 28.7108 172.4717 3 W 4.7715 9.2132 129.3876 54.7953 30.9511 175.7445 4 T 3.9317 8.2762 120.6342 63.7782 68.8486 174.9778 5 Q 3.9298 8.9980 126.2313 59.8395 28.9363 178.7986 6 E 3.9074 8.3291 119.2840 59.5118 29.5625 178.6225 7 E 3.8470 8.1682 118.2233 59.4529 29.6396 179.1972 8 R 3.5323 7.9423 117.4091 59.4160 30.1269 178.3376 9 D 4.2451 7.8599 118.2339 57.5048 40.5876 178.4567 10 E 3.8831 8.0000 119.3504 59.6172 29.5437 178.9479 11 I 3.1385 7.0972 119.2236 64.0944 36.5856 178.4257 12 S 4.0807 7.7199 114.9231 61.6186 62.6097 176.5089 13 K 4.0252 8.5706 123.4290 59.2586 31.8516 179.0308 14 T 4.0213 7.7020 116.1093 66.4929 68.3515 176.6129 15 F 4.0953 8.4550 117.6403 59.1245 38.9685 176.7618 16 Q 4.5337 7.5710 116.3771 57.8191 29.7293 177.6541 17 G 3.7933 8.2754 104.4527 45.4208 0.0000 173.6777 18 T 4.5552 7.1816 116.8809 62.0015 70.5512 175.2286 19 D 4.5890 8.0605 123.5291 53.6827 39.6805 176.6805 20 M 3.9731 8.0153 124.6488 56.9405 32.3339 177.7531 21 K 3.9314 8.0616 120.2825 59.6410 32.5266 178.4711 22 T 4.1027 7.7163 107.8999 63.6655 68.9725 177.2081 23 V 3.4516 7.2450 121.5143 66.0805 31.5431 178.1352 24 V 3.5867 7.9947 118.2863 66.0431 31.2912 177.9268 25 T 3.8099 7.8000 115.4766 67.0016 68.3483 176.5704 26 Q 3.9762 8.0937 119.3697 58.7973 28.5501 178.9525 27 A 3.8859 7.8819 122.0408 54.9759 18.4164 179.6807 28 L 3.4736 8.0326 117.7847 57.7043 41.0879 179.4948 29 D 4.3890 7.8983 118.8727 57.2427 40.7017 178.6910 30 R 3.7565 7.9251 119.2061 59.5705 30.0199 177.9709 31 M 3.9599 7.9371 118.0824 58.9546 31.9706 178.2378 32 F 4.5306 7.6762 118.7286 59.3156 38.7064 177.2659 33 K 4.0897 7.2338 117.2611 58.5953 32.5197 178.4802 34 V 3.4529 7.6046 117.6718 64.6047 32.8662 175.9322 35 Y 3.7145 7.2120 117.2901 54.1896 37.5997 173.9606 36 P 4.3812 0.0000 0.0000 64.6205 31.9516 177.5808 37 W 4.4305 8.4250 114.4690 59.3970 27.1966 177.9343 38 T 4.3585 7.8684 111.2039 64.7275 68.1398 176.1667 39 N 4.1110 8.5738 119.9082 56.3226 38.2055 176.8829 40 R 3.8056 7.5096 119.3932 60.0196 29.9051 177.8360 41 Y 4.1815 7.6459 113.9826 59.7915 37.7237 176.8261 42 F 4.4774 8.5472 118.6842 57.2015 39.2558 176.6024 43 Q 4.1110 7.2993 122.1827 54.3153 27.0977 174.0398 *48 F 4.5037 7.9794 122.3434 57.6205 40.7859 174.7511 49 R 4.3078 7.2864 125.7312 53.5476 34.0420 175.9993 50 S 3.8884 8.2706 122.1670 61.7142 62.7974 176.8401 51 S 4.0896 7.9409 114.8727 61.8480 62.6595 176.3267 52 I 3.8271 7.4368 122.7600 64.2112 37.0648 177.7321 53 H 4.1373 8.4501 119.2955 58.9055 29.5618 176.9021 54 A 4.1229 8.5713 123.3897 55.3080 18.1101 179.7493 55 G 3.6404 7.7176 102.5211 47.9671 0.0000 175.8186 56 I 3.7050 7.6796 121.6729 64.1265 37.1239 178.4116 57 V 3.6338 7.6826 118.6598 66.3691 31.5078 178.4512 58 V 4.0533 8.4327 112.5695 64.4470 31.4408 178.9238 59 G 3.6771 8.4233 105.6193 47.7392 0.0000 175.7410 60 A 4.1990 8.1385 123.3273 54.9499 18.5060 179.7913 61 L 4.2589 8.6727 117.9467 57.7198 41.8037 179.6114 62 Q 3.4068 8.1770 119.8009 59.2171 29.2321 178.0064 63 D 4.4648 8.1047 118.8567 56.8619 40.6948 178.7348 64 A 3.8703 7.6493 122.0598 55.1790 18.1993 180.0974 65 V 3.4112 7.2051 109.2125 64.0655 31.5492 178.6984 66 K 4.0563 7.5952 117.5788 58.3570 32.3964 177.2253 67 H 4.8809 7.8849 116.2421 54.7586 29.7133 175.5375 68 M 4.1676 8.2474 119.8706 58.3256 31.9657 177.1996 69 D 4.8154 8.0652 113.4773 54.4707 40.7691 176.2873 70 D 4.5949 7.9135 113.8666 52.7393 43.7219 177.4414 71 V 3.2335 7.3806 122.6324 65.8698 31.8790 176.4647 72 K 3.8357 8.0403 116.8776 60.1416 32.0537 178.7152 73 T 4.1091 7.6279 115.1135 66.4835 68.3608 176.9429 74 L 4.0166 7.3581 120.3886 57.3389 42.2881 177.9368 75 F 4.9161 8.2163 116.1976 57.7531 38.6349 177.0298 76 K 3.6296 8.4521 117.8538 61.3212 31.7749 177.7350 77 D 4.3937 8.0950 117.5979 57.3512 41.1572 178.2528 78 L 3.8775 8.0552 120.5646 58.4788 41.8141 179.2438 79 S 4.3037 8.0489 115.2389 60.6707 62.9357 176.1557 80 K 3.8696 7.6577 122.3958 59.0982 31.9697 178.6013 81 K 3.8778 8.1270 119.6205 60.0236 32.2155 178.6401 82 H 4.1832 8.1355 115.9231 58.8034 28.6531 175.9200 83 A 4.4672 8.3607 123.0240 53.0929 19.1850 176.9255 84 D 4.8482 7.6562 120.4813 52.4912 41.1962 175.8376 85 D 4.6830 7.5346 120.5083 55.1804 47.3800 175.7164 86 L 4.3089 7.6452 116.0760 54.0901 42.6192 176.6326 87 H 4.2864 7.9326 114.0224 56.3235 26.8797 174.9426 88 V 3.0811 7.6643 119.0554 62.5309 31.7110 175.3334 89 D 4.4595 8.3012 127.2979 53.5640 41.2614 175.2323 90 P 4.7322 0.0000 0.0000 65.6587 31.5435 177.7063 91 G 4.2794 7.9768 105.1935 45.8554 0.0000 174.7273 92 S 4.6029 8.0271 116.0975 58.3159 64.0234 176.1194 93 F 4.1474 7.5813 121.3424 60.6854 38.6000 176.8930 94 H 4.7068 8.2278 114.9999 57.4797 28.1126 177.4142 95 L 3.5637 7.5354 122.5869 57.3033 41.2106 179.0365 96 L 3.8988 7.6349 120.5659 58.3566 42.2497 178.9436 97 T 3.2087 7.7133 109.2150 64.8226 68.5369 175.6870 98 D 4.4243 8.2887 121.7605 57.4619 40.8362 178.5973 99 C 4.2278 7.7487 117.0332 62.5139 28.0021 176.2288 100 I 3.6460 7.7401 121.9630 64.3141 36.5554 178.4529 101 I 3.6753 8.0167 121.0265 64.2459 36.8278 178.7086 102 V 3.4996 7.6820 118.8537 65.9900 31.4651 177.9351 103 E 3.8976 8.0285 118.3424 59.3988 29.2902 179.3794 104 L 3.6697 7.8697 118.9198 57.5570 41.5498 179.4697 105 A 3.0977 7.4375 120.9732 54.8955 18.0213 179.0672 106 Y 4.1146 7.9386 117.3903 60.1193 38.8493 177.4691 107 L 3.9089 7.3542 120.3553 57.8462 42.7491 178.4533 108 R 4.0778 7.9958 116.3747 55.5787 30.5911 178.4350 109 K 3.6875 8.4904 118.7159 56.7997 32.6028 177.4017 110 D 4.5047 9.0847 126.3501 58.8168 40.4383 177.5780 111 C 4.2967 8.1149 115.3896 61.9872 28.6323 174.2957 112 F 4.5171 8.1509 124.9415 56.9704 37.4231 175.2966 113 T 4.2026 7.3346 115.4085 60.5329 71.3993 173.4401 114 P 4.2207 0.0000 0.0000 66.1078 31.0319 178.4628 115 H 4.1297 8.0455 115.5426 59.3950 30.2325 176.9954 116 I 3.7686 7.6084 121.5529 64.2192 36.8790 178.0590 117 Q 3.7995 8.0704 121.0347 59.1803 28.8220 178.8341 118 G 3.8088 8.0806 106.5191 47.5774 0.0000 175.9045 119 I 3.7322 7.6490 122.1160 64.2405 37.1051 178.5505 120 W 4.0949 8.1265 119.3470 59.5931 28.9817 177.9523 121 D 4.6211 8.9538 118.6475 57.4019 40.6011 178.2353 122 K 3.9963 8.3462 120.1608 59.4237 32.2982 178.5701 123 F 4.5606 8.4272 120.9623 61.5721 39.3379 177.1749 124 F 4.4261 8.5513 117.0541 59.8291 38.6994 177.4781 125 E 4.0144 8.3705 119.7050 59.4749 29.5221 179.2120 126 V 3.7152 7.6402 112.3573 63.9642 31.6134 178.7860 127 V 3.4803 7.4382 118.0698 65.7920 30.9027 178.1921 128 I 3.6998 8.2684 120.2391 64.1421 36.6929 177.9192 129 D 4.2651 7.9418 118.0419 57.2147 41.1566 177.8486 130 A 4.1193 7.8013 120.2466 54.9709 18.5584 178.7741 131 I 4.1045 7.9599 115.4248 60.6201 37.9575 174.9192 132 S 4.3137 6.9936 113.6695 57.4217 63.9794 174.0514 133 K 4.1545 8.7628 125.5148 56.7188 32.9462 173.8885 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 V 8.05 3.64 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 -0.15 0.00 0.00 0.58 0.00 0.00 2 H 8.08 3.71 0.00 3.27 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.21 4.77 0.00 3.26 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 4 T 8.28 3.93 4.39 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 1.28 0.00 0.00 5 Q 9.00 3.93 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 6 E 8.33 3.91 0.00 2.07 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 2.38 2.44 0.00 7 E 8.17 3.85 0.00 2.45 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 0.00 2.43 2.37 0.00 8 R 7.94 3.53 0.00 1.86 1.81 0.00 3.29 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.92 0.00 9 D 7.86 4.25 0.00 2.85 2.69 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 10 E 8.00 3.88 0.00 2.00 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 2.18 2.12 0.00 11 I 7.10 3.14 1.22 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.06 -0.31 0.00 0.00 12 S 7.72 4.08 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.57 4.03 0.00 1.79 2.13 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.50 7.81 14 T 7.70 4.02 4.90 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 1.19 0.00 0.00 15 F 8.45 4.10 0.00 3.02 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 16 Q 7.57 4.53 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 17 G 8.28 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 18 T 7.18 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 1.11 0.00 0.00 19 D 8.06 4.59 0.00 2.70 2.51 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 0.00 20 M 8.02 3.97 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.16 0.00 21 K 8.06 3.93 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.52 7.81 22 T 7.72 4.10 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 1.34 0.00 0.00 23 V 7.24 3.45 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.86 0.00 0.00 24 V 7.99 3.59 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 1.09 0.00 0.00 1.01 0.00 0.00 25 T 7.80 3.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 26 Q 8.09 3.98 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 27 A 7.88 3.89 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 28 L 8.03 3.47 0.00 1.74 1.39 0.97 1.14 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 29 D 7.90 4.39 0.00 2.88 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 30 R 7.93 3.76 0.00 1.89 1.96 0.00 3.01 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 31 M 7.94 3.96 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 32 F 7.68 4.53 0.00 3.19 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 33 K 7.23 4.09 0.00 1.72 1.83 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.39 7.81 34 V 7.60 3.45 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 35 Y 7.21 3.71 0.00 2.59 1.43 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 0.00 36 P 0.00 4.38 0.00 2.26 2.15 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 37 W 8.43 4.43 0.00 3.57 3.54 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 38 T 7.87 4.36 4.57 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 1.11 0.00 0.00 39 N 8.57 4.11 0.00 2.89 2.80 0.00 0.00 6.46 8.20 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 40 R 7.51 3.81 0.00 2.10 1.61 0.00 2.90 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 41 Y 7.65 4.18 0.00 2.99 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 42 F 8.55 4.48 0.00 2.62 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 0.00 0.00 0.00 0.00 43 Q 7.30 4.11 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 *48 F 7.98 4.50 0.00 3.11 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 49 R 7.29 4.31 0.00 1.75 1.48 0.00 3.23 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 50 S 8.27 3.89 0.00 3.87 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 51 S 7.94 4.09 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.44 3.83 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 0.88 0.00 0.00 53 H 8.45 4.14 0.00 3.15 3.40 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.57 4.12 1.42 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 55 G 7.72 3.64 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 0.00 0.00 0.00 56 I 7.68 3.71 1.88 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 1.63 0.81 0.91 0.00 0.00 57 V 7.68 3.63 2.30 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 1.26 0.00 0.00 1.11 0.00 0.00 58 V 8.43 4.05 2.30 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 0.97 0.00 0.00 1.12 0.00 0.00 59 G 8.42 3.68 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 0.00 0.00 0.00 60 A 8.14 4.20 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 61 L 8.67 4.26 0.00 2.26 2.21 1.39 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.18 3.41 0.00 2.37 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 63 D 8.10 4.46 0.00 3.06 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 64 A 7.65 3.87 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 65 V 7.21 3.41 1.65 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 0.08 0.00 0.00 0.71 0.00 0.00 66 K 7.60 4.06 0.00 1.93 1.69 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.63 7.81 67 H 7.88 4.88 0.00 3.12 3.21 0.00 5.65 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 8.25 4.17 0.00 1.66 1.97 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.13 0.00 69 D 8.07 4.82 0.00 2.75 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 70 D 7.91 4.59 0.00 2.65 2.51 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 0.00 71 V 7.38 3.23 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 0.14 0.00 0.00 0.91 0.00 0.00 72 K 8.04 3.84 0.00 1.75 1.89 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.55 7.81 73 T 7.63 4.11 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 1.22 0.00 0.00 74 L 7.36 4.02 0.00 1.57 1.81 0.99 0.60 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 75 F 8.22 4.92 0.00 3.16 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 76 K 8.45 3.63 0.00 2.19 1.73 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 77 D 8.09 4.39 0.00 2.76 2.71 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 78 L 8.06 3.88 0.00 1.50 1.57 0.85 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.05 4.30 0.00 4.16 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 0.00 80 K 7.66 3.87 0.00 1.89 2.01 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.75 7.81 81 K 8.13 3.88 0.00 1.88 1.92 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.41 7.81 82 H 8.14 4.18 0.00 3.48 3.70 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.36 4.47 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 84 D 7.66 4.85 0.00 2.63 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 85 D 7.53 4.68 0.00 2.55 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 86 L 7.65 4.31 0.00 1.59 1.57 0.71 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.93 4.29 0.00 3.43 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.66 3.08 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 -0.43 0.00 0.00 0.40 0.00 0.00 89 D 8.30 4.46 0.00 2.77 2.53 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 0.00 0.00 0.00 0.00 90 P 0.00 4.73 0.00 2.33 2.28 0.00 3.70 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 2.20 2.26 0.00 91 G 7.98 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 0.00 0.00 0.00 0.00 92 S 8.03 4.60 0.00 3.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 7.58 4.15 0.00 3.00 3.04 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 0.00 0.00 0.00 94 H 8.23 4.71 0.00 3.45 3.64 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.54 3.56 0.00 1.54 1.27 0.94 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.63 3.90 0.00 1.66 1.75 0.82 1.04 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 97 T 7.71 3.21 3.47 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 0.93 0.00 0.00 98 D 8.29 4.42 0.00 3.04 2.83 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 99 C 7.75 4.23 0.00 3.07 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 0.00 100 I 7.74 3.65 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 1.00 0.00 0.00 101 I 8.02 3.68 2.15 0.00 0.00 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 1.84 1.15 1.14 0.00 0.00 102 V 7.68 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 1.04 0.00 0.00 1.02 0.00 0.00 103 E 8.03 3.90 0.00 2.09 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 2.40 2.64 0.00 104 L 7.87 3.67 0.00 1.40 0.95 -0.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.44 3.10 1.12 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 0.00 106 Y 7.94 4.11 0.00 2.86 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 0.00 107 L 7.35 3.91 0.00 1.75 1.67 0.82 0.84 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 0.00 108 R 8.00 4.08 0.00 1.98 2.04 0.00 3.44 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 109 K 8.49 3.69 0.00 1.85 1.01 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.50 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.42 7.81 110 D 9.08 4.50 0.00 2.68 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 0.00 111 C 8.11 4.30 0.00 3.14 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 0.00 112 F 8.15 4.52 0.00 2.94 3.12 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 0.00 113 T 7.33 4.20 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 1.33 0.00 0.00 114 P 0.00 4.22 0.00 2.19 2.18 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 2.14 2.18 0.00 115 H 8.05 4.13 0.00 3.10 3.33 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.61 3.77 1.70 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 1.47 0.72 0.88 0.00 0.00 117 Q 8.07 3.80 0.00 1.78 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 118 G 8.08 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 0.00 0.00 0.00 119 I 7.65 3.73 1.88 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 1.43 0.86 0.51 0.00 0.00 120 W 8.13 4.09 0.00 3.80 3.61 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 0.00 121 D 8.95 4.62 0.00 2.96 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 0.00 122 K 8.35 4.00 0.00 1.94 2.15 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.29 1.26 7.81 123 F 8.43 4.56 0.00 2.92 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 0.00 124 F 8.55 4.43 0.00 3.38 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 0.00 125 E 8.37 4.01 0.00 2.17 2.26 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 2.30 2.37 0.00 126 V 7.64 3.72 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 0.82 0.00 0.00 1.08 0.00 0.00 127 V 7.44 3.48 2.20 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 1.24 0.00 0.00 0.24 0.00 0.00 128 I 8.27 3.70 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.95 0.00 0.00 129 D 7.94 4.27 0.00 2.67 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 0.00 130 A 7.80 4.12 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 0.00 131 I 7.96 4.10 1.98 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.09 0.30 0.00 0.00 132 S 6.99 4.31 0.00 3.98 3.36 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 0.00 133 K 8.76 4.15 0.00 1.82 1.75 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.