NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4562 8.1844 121.1292 55.6674 42.2573 175.1718 4 E 4.5113 9.3074 121.8525 54.0854 32.0690 172.9628 5 I 5.0749 8.2701 127.7725 59.6032 39.7664 174.6514 6 R 4.8130 8.9688 122.5329 53.5819 33.3068 172.7910 7 P 4.9071 0.0000 0.0000 62.9243 31.9188 176.2337 8 A 4.5786 9.0626 126.2190 52.1547 19.3290 177.1988 9 V 4.5038 9.3252 113.2293 58.2631 35.2990 175.2495 10 P 2.9700 0.0000 0.0000 65.4522 30.6594 178.7211 11 A 3.9795 7.5915 117.8008 54.5312 18.5672 178.4105 12 D 4.4243 8.1770 116.7492 55.3988 40.9707 178.0893 13 A 4.1427 7.5081 122.1680 55.3788 18.3389 179.3214 14 E 3.8252 8.0816 116.2375 59.7724 29.6308 179.3825 15 Q 3.6204 7.8282 118.8261 58.9014 29.1713 177.8480 16 I 3.4245 7.9648 121.3181 64.3096 37.1422 178.0916 17 L 3.8708 8.0051 120.8182 58.0001 41.8993 178.6850 18 A 3.9158 7.7252 120.6393 55.3176 18.2892 179.7098 19 F 4.4172 7.8876 116.0885 60.7108 38.8822 177.7755 20 I 4.1334 7.8929 121.1230 63.9534 36.8643 178.5208 21 I 3.7252 7.9079 120.3986 64.2915 36.9363 178.2669 22 E 3.9511 8.0918 119.4344 59.3082 29.2444 179.2236 23 L 3.8577 7.8783 120.2252 58.1301 42.1146 178.6937 24 A 4.0439 8.3513 121.1304 55.2501 18.2461 179.0744 25 D 4.2801 8.5218 116.7861 57.7162 41.1400 177.7372 26 Y 4.2360 7.9344 118.6052 60.8571 38.8511 177.3928 27 E 4.5034 8.3976 115.7065 55.9788 29.7189 176.7305 28 R 3.8710 8.1425 116.4854 57.1010 27.9956 177.0565 29 A 4.5360 8.4190 116.3374 52.0972 20.6611 178.9641 30 R 3.9020 8.5915 122.6318 61.3629 29.9907 178.2875 31 H 4.4018 8.0702 111.0857 57.8504 28.6969 176.0139 32 E 3.9902 7.8852 119.3465 58.0093 29.4989 177.0944 33 V 3.8534 7.4099 118.2905 62.5683 30.2621 175.6995 34 V 4.2242 8.1278 119.1705 61.1619 32.6101 176.3424 35 T 4.3082 7.5363 115.3871 61.0623 68.5473 172.6761 36 D 5.0373 8.0069 123.9623 50.9612 42.5265 176.9736 37 V 3.5769 8.3169 117.0368 66.1686 31.2061 177.2869 38 E 4.0459 8.3490 118.0120 59.7471 29.0178 179.4790 39 G 3.7770 8.9487 106.9027 47.2152 0.0000 175.7108 40 I 3.7939 7.8467 121.9333 64.2283 37.0763 178.4154 41 R 4.2421 8.4101 119.3092 59.8608 29.8097 179.4662 42 R 4.0756 8.3345 116.2484 58.2230 30.0638 177.8039 43 S 4.5504 7.5893 111.2865 60.0045 64.1756 176.1462 44 L 3.7091 7.9964 124.8000 56.4796 41.9180 177.8786 45 F 4.8678 7.5992 114.7243 56.8666 39.5858 175.5397 46 A 4.1385 7.5930 124.3526 51.6249 18.7212 177.7906 47 E 4.0487 8.6987 122.2878 58.0550 29.9029 177.2520 48 G 3.8824 8.9714 113.3088 45.7492 0.0000 173.1262 49 S 4.1287 7.8028 114.6785 57.6232 62.5849 172.6291 50 P 4.5057 0.0000 0.0000 64.0995 31.8143 175.7814 51 T 4.7931 7.4404 116.0953 62.1769 70.2628 174.1692 52 R 4.6632 8.6059 123.4289 54.2761 34.3144 174.4323 53 A 5.3100 8.2649 120.5838 50.4546 23.1798 174.8654 54 L 5.3152 9.2298 120.0085 53.2975 45.2659 175.4508 55 M 5.1065 9.3857 122.6914 53.9313 34.7876 174.3481 56 C 5.1697 9.1384 123.8343 57.7074 34.0326 172.4380 57 L 5.2009 9.3589 125.6189 52.8909 45.7810 175.4401 58 S 4.6777 8.8469 117.3386 56.5258 64.7308 173.8973 59 E 3.5774 9.8968 128.5191 57.5149 26.7474 176.0294 60 G 3.9273 8.4762 106.5385 45.2629 0.0000 173.8566 61 R 4.2667 7.5882 121.2196 54.1830 30.7435 173.7091 62 P 4.8422 0.0000 0.0000 62.9001 31.8208 175.8669 63 I 4.3193 8.6803 116.2856 60.7938 40.1952 175.0078 64 G 3.9847 7.7883 108.6927 46.4833 0.0000 171.3187 65 Y 5.5696 8.4900 116.4851 56.0559 41.6701 173.6040 66 A 4.8765 9.1191 121.1428 50.1429 23.3414 175.1585 67 V 5.0536 8.6023 118.9735 61.1849 34.9089 174.5810 68 F 5.4561 9.1031 121.9794 55.7856 41.9676 172.8380 69 F 5.2481 8.3874 113.6900 55.7007 41.8949 172.6788 70 Y 4.8459 9.0319 117.5241 57.6985 38.8372 175.7513 71 S 5.0459 8.9692 120.0233 57.3978 66.3829 171.8515 72 Y 5.1093 8.2609 118.8252 56.5714 42.4530 173.7735 73 S 4.7065 8.1535 121.9171 56.4991 63.6627 174.9745 74 T 4.1223 8.4332 118.2489 64.2252 69.1409 175.9321 75 W 4.5322 8.0422 121.5668 59.3194 29.2547 177.0495 76 L 4.2658 7.8969 116.5433 54.4363 41.6727 176.7490 77 G 4.0377 7.8153 106.3726 46.4299 0.0000 173.5829 78 R 4.7688 6.9070 115.6338 53.7748 35.0949 175.3103 79 N 5.1365 9.0623 119.2717 53.8418 40.3648 173.7888 80 G 4.4272 9.1855 107.4189 44.8901 0.0000 171.0228 81 I 4.7478 8.4143 119.7424 59.3241 40.2727 174.4620 82 Y 4.7578 8.6773 128.1250 55.5852 40.8885 174.0558 83 L 4.4130 8.2161 130.1423 54.1278 42.0211 175.7924 84 E 4.3680 9.1551 129.0738 58.8146 30.3821 176.5610 85 D 5.0154 7.9656 118.0734 52.3067 45.0652 174.5670 86 L 4.7748 8.2048 123.5316 53.6491 44.7937 174.5501 87 Y 4.6953 8.4466 126.4637 56.2429 42.7995 173.2914 88 V 4.2188 7.2353 125.4852 60.5855 34.2607 175.0920 89 T 3.6721 8.1656 122.2676 60.7712 68.0568 172.7215 90 P 4.0983 0.0000 0.0000 65.9780 31.4025 177.6692 91 E 4.1242 8.1677 115.1525 57.7793 29.5637 176.0727 92 Y 4.5692 7.9793 114.2021 58.4616 39.2028 176.2971 93 R 4.0612 7.5196 121.7874 54.7400 29.1222 175.9964 *96 G 3.6659 7.9470 111.8961 45.2688 0.0000 171.0149 97 A 4.0193 7.8461 126.0244 55.2891 18.9578 179.5589 98 G 3.2474 7.6941 103.8368 47.8402 0.0000 175.7421 99 R 4.0811 7.7721 120.8542 59.0552 30.1757 178.4244 100 R 3.8408 7.7371 118.6078 59.3474 30.1421 178.4542 101 L 3.8948 7.9443 118.7957 57.8321 41.5362 179.5168 102 L 3.7851 7.8614 118.8234 57.5853 41.4832 179.4848 103 R 3.8213 8.0505 118.6348 59.5780 29.9581 178.4066 104 E 3.9573 8.0100 118.1607 59.3692 29.3428 179.4171 105 L 3.5955 7.7139 118.6836 57.4890 41.6010 179.3897 106 A 3.9163 8.1775 121.0624 55.2331 18.2543 179.8125 107 R 3.8700 8.3304 117.0002 59.3806 30.1262 178.8989 108 E 3.9204 8.3971 118.9587 59.1200 29.6439 178.6537 109 A 3.9973 8.1737 121.1751 55.2171 18.3569 179.7796 110 V 3.5103 8.2233 116.8556 66.2266 31.4261 178.1659 111 A 4.1168 8.1384 119.3837 54.5978 18.1765 178.1522 112 N 4.7854 8.1006 113.2182 52.5289 39.3879 174.4982 113 D 4.4161 7.7638 117.5965 55.4592 40.2568 173.2493 114 C 4.8302 8.5154 114.9433 58.5984 29.3449 174.6085 115 G 3.8721 8.5481 111.3107 48.4143 0.0000 174.2406 116 R 4.7950 7.7924 118.1172 54.2798 34.8800 173.7824 117 L 5.1134 8.4956 124.4294 53.4574 44.1829 175.0922 118 E 4.4288 8.7308 124.5429 54.6336 34.5942 173.9285 119 W 3.7858 7.0237 116.5763 56.4288 30.4208 173.3619 120 S 4.8447 8.7809 115.3409 56.6738 65.8579 174.1731 121 V 4.6385 7.9151 120.3426 59.7081 34.4625 175.2015 122 L 4.0630 8.1850 122.5677 54.4338 41.9854 178.0962 123 D 4.4585 8.6080 122.6115 55.4500 39.5333 177.1766 124 W 4.5585 7.6323 115.2583 57.4296 29.3391 176.5586 125 N 4.5539 7.2852 120.7610 52.1454 36.8410 174.7601 126 Q 4.0417 8.1946 123.3042 58.2575 29.6385 175.2236 127 P 4.1958 0.0000 0.0000 65.5023 31.3176 178.3922 128 A 3.6072 8.0205 118.8591 55.0498 18.3391 179.3260 129 I 3.8129 7.7512 118.3269 64.8873 37.3589 178.2207 130 D 4.3805 8.7485 119.8255 57.3779 40.4329 178.8244 131 F 4.1979 7.8089 119.7338 61.5878 39.5906 176.4360 132 Y 4.3112 7.8230 116.6797 61.1947 37.7201 178.7713 133 R 3.9915 8.4676 119.5996 59.3403 30.0011 179.1077 134 S 4.3100 7.7796 112.3047 60.0818 63.0850 175.3678 135 I 4.2600 7.1716 115.2664 60.3644 37.6841 176.2421 136 G 3.8432 7.9413 107.8312 45.6268 0.0000 173.9777 137 A 4.2131 7.6417 121.5767 51.5736 19.1900 177.3723 138 L 4.7840 7.8514 119.9981 51.9346 44.9526 174.8984 139 P 4.3287 0.0000 0.0000 62.8137 32.9343 177.3252 140 Q 4.4928 8.3059 122.8713 54.8295 27.3818 175.5940 141 D 4.8524 7.7632 114.3602 53.4280 40.3643 178.1108 142 E 4.1039 8.1202 119.3457 57.7478 29.9897 176.5100 143 W 4.7775 7.5249 117.4479 54.9013 30.7627 175.6262 144 V 4.4413 8.3598 120.9721 60.8288 33.1497 175.0744 145 R 4.2211 8.6850 127.7405 56.2702 30.6227 174.9341 146 Y 4.5594 8.5212 122.3668 56.3018 40.4917 175.0519 147 R 4.6727 8.3319 121.3836 54.5215 33.2989 174.0826 148 L 4.8075 8.4642 124.8427 53.9513 42.7556 175.0797 149 D 4.6156 8.3640 119.9310 52.6858 43.4086 175.6522 150 G 3.7257 8.5392 107.5155 46.7090 0.0000 176.0733 151 E 3.9491 8.8428 118.7999 59.3021 29.4162 178.5928 152 A 4.0398 7.9892 120.3769 54.9678 18.4788 179.3103 153 L 3.8483 7.7697 118.4082 58.3281 42.2596 179.1133 154 R 3.8972 7.8746 118.5414 59.5336 29.7874 178.6617 155 K 4.0323 8.3227 117.5749 59.4134 32.0686 178.7625 156 M 4.1425 7.9005 117.6461 58.4560 32.2577 177.7051 157 A 4.1433 7.7466 119.5649 55.3640 18.7109 177.6857 158 E 4.2224 7.9977 119.7294 56.7639 29.7231 176.8586 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 L 8.18 4.46 0.00 1.76 1.75 0.88 0.23 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 4 E 9.31 4.51 0.00 2.04 1.81 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 2.21 2.36 0.00 5 I 8.27 5.07 1.87 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 1.38 1.00 0.91 0.00 0.00 6 R 8.97 4.81 0.00 1.86 1.99 0.00 2.81 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 7 P 0.00 4.91 0.00 2.04 2.14 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 8 A 9.06 4.58 1.51 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 0.00 0.00 9 V 9.33 4.50 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 0.76 0.00 0.00 0.95 0.00 0.00 10 P 0.00 2.97 0.00 1.91 1.84 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 11 A 7.59 3.98 1.20 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 0.00 0.00 12 D 8.18 4.42 0.00 2.82 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 13 A 7.51 4.14 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 0.00 0.00 0.00 0.00 0.00 14 E 8.08 3.83 0.00 1.95 1.93 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 2.35 2.33 0.00 15 Q 7.83 3.62 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.17 1.87 0.00 16 I 7.96 3.42 2.04 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.86 0.00 0.00 17 L 8.01 3.87 0.00 1.72 1.74 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.73 3.92 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 19 F 7.89 4.42 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 20 I 7.89 4.13 1.99 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 1.83 1.74 0.95 0.00 0.00 21 I 7.91 3.73 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.92 0.00 0.00 22 E 8.09 3.95 0.00 1.88 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 2.44 2.57 0.00 23 L 7.88 3.86 0.00 1.36 1.78 1.16 1.18 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 24 A 8.35 4.04 1.47 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 0.00 0.00 25 D 8.52 4.28 0.00 2.86 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 26 Y 7.93 4.24 0.00 3.19 3.34 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 27 E 8.40 4.50 0.00 2.23 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 2.48 2.75 0.00 28 R 8.14 3.87 0.00 2.03 1.95 0.00 2.21 0.00 0.00 2.58 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.00 29 A 8.42 4.54 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 30 R 8.59 3.90 0.00 1.89 2.01 0.00 3.47 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 31 H 8.07 4.40 0.00 3.33 3.44 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.89 3.99 0.00 2.04 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 2.09 2.35 0.00 33 V 7.41 3.85 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 0.77 0.00 0.00 0.95 0.00 0.00 34 V 8.13 4.22 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 0.77 0.00 0.00 0.94 0.00 0.00 35 T 7.54 4.31 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 1.22 0.00 0.00 36 D 8.01 5.04 0.00 2.90 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 37 V 8.32 3.58 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 1.09 0.00 0.00 0.91 0.00 0.00 38 E 8.35 4.05 0.00 2.33 2.01 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 2.41 2.46 0.00 39 G 8.95 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 0.00 0.00 0.00 40 I 7.85 3.79 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.85 1.03 0.00 0.00 41 R 8.41 4.24 0.00 2.07 2.07 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 42 R 8.33 4.08 0.00 1.78 2.01 0.00 3.32 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 43 S 7.59 4.55 0.00 4.03 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 44 L 8.00 3.71 0.00 1.41 1.60 0.67 0.51 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 45 F 7.60 4.87 0.00 3.20 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 46 A 7.59 4.14 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 47 E 8.70 4.05 0.00 1.95 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 2.31 2.28 0.00 48 G 8.97 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 0.00 0.00 0.00 49 S 7.80 4.13 0.00 3.94 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.51 0.00 2.22 2.14 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 51 T 7.44 4.79 4.13 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 1.29 0.00 0.00 52 R 8.61 4.66 0.00 0.67 1.36 0.00 3.02 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 53 A 8.26 5.31 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 L 9.23 5.32 0.00 1.66 1.62 0.82 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 M 9.39 5.11 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.74 0.00 56 C 9.14 5.17 0.00 2.91 2.82 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 0.00 0.00 0.00 57 L 9.36 5.20 0.00 1.58 1.53 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.85 4.68 0.00 3.68 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.90 3.58 0.00 2.17 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 2.26 2.26 0.00 60 G 8.48 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 61 R 7.59 4.27 0.00 1.93 2.02 0.00 3.19 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 62 P 0.00 4.84 0.00 2.14 2.10 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 63 I 8.68 4.32 1.24 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 1.01 1.08 -0.26 0.00 0.00 64 G 7.79 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.49 5.57 0.00 3.40 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.12 4.88 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 67 V 8.60 5.05 2.23 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 1.19 0.00 0.00 1.25 0.00 0.00 68 F 9.10 5.46 0.00 3.08 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 69 F 8.39 5.25 0.00 3.18 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 70 Y 9.03 4.85 0.00 3.01 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 71 S 8.97 5.05 0.00 3.89 4.11 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 72 Y 8.26 5.11 0.00 3.09 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 73 S 8.15 4.71 0.00 3.67 3.42 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 74 T 8.43 4.12 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 1.41 0.00 0.00 75 W 8.04 4.53 0.00 3.33 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 76 L 7.90 4.27 0.00 1.56 1.68 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.82 4.04 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 0.00 0.00 0.00 78 R 6.91 4.77 0.00 1.61 1.73 0.00 3.14 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 79 N 9.06 5.14 0.00 2.89 3.08 0.00 0.00 6.65 7.59 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 80 G 9.19 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 0.00 0.00 0.00 0.00 81 I 8.41 4.75 1.65 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 0.11 0.72 0.68 0.00 0.00 82 Y 8.68 4.76 0.00 2.79 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 0.00 0.00 0.00 83 L 8.22 4.41 0.00 1.39 1.52 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.16 4.37 0.00 2.38 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 2.56 2.50 0.00 85 D 7.97 5.02 0.00 2.68 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 0.00 0.00 0.00 0.00 86 L 8.20 4.77 0.00 1.32 1.32 0.70 0.66 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 87 Y 8.45 4.70 0.00 3.03 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 88 V 7.24 4.22 1.70 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 0.72 0.00 0.00 0.67 0.00 0.00 89 T 8.17 3.67 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 1.40 0.00 0.00 90 P 0.00 4.10 0.00 2.23 2.10 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 91 E 8.17 4.12 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 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8.22 3.51 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 1.01 0.00 0.00 0.97 0.00 0.00 111 A 8.14 4.12 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 0.00 112 N 8.10 4.79 0.00 3.07 3.00 0.00 0.00 6.97 7.67 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 0.00 113 D 7.76 4.42 0.00 2.77 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 0.00 114 C 8.52 4.83 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.55 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 0.00 116 R 7.79 4.79 0.00 1.63 1.66 0.00 2.99 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 117 L 8.50 5.11 0.00 1.57 1.57 0.79 0.81 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 0.00 118 E 8.73 4.43 0.00 1.92 1.58 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 1.96 2.09 0.00 119 W 7.02 3.79 0.00 2.87 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 0.00 120 S 8.78 4.84 0.00 3.99 3.84 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 0.00 121 V 7.92 4.64 2.46 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 0.88 0.00 0.00 1.09 0.00 0.00 122 L 8.19 4.06 0.00 0.86 0.80 0.95 1.08 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 0.00 123 D 8.61 4.46 0.00 2.81 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 0.00 124 W 7.63 4.56 0.00 3.52 3.26 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 0.00 125 N 7.29 4.55 0.00 1.65 2.52 0.00 0.00 6.68 7.10 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 0.00 126 Q 8.19 4.04 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.65 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 127 P 0.00 4.20 0.00 2.20 2.08 0.00 3.88 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 128 A 8.02 3.61 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.75 3.81 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 0.97 0.00 0.00 130 D 8.75 4.38 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.81 4.20 0.00 2.76 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 0.00 132 Y 7.82 4.31 0.00 3.15 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 0.00 133 R 8.47 3.99 0.00 2.07 2.00 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 134 S 7.78 4.31 0.00 4.06 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 0.00 135 I 7.17 4.26 1.75 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 1.19 0.76 0.56 0.00 0.00 136 G 7.94 3.84 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 0.00 0.00 0.00 137 A 7.64 4.21 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 0.00 138 L 7.85 4.78 0.00 1.52 1.49 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.33 0.00 2.17 2.03 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 140 Q 8.31 4.49 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 141 D 7.76 4.85 0.00 2.78 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 0.00 142 E 8.12 4.10 0.00 1.77 1.74 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 2.24 2.29 0.00 143 W 7.52 4.78 0.00 3.31 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 0.00 144 V 8.36 4.44 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 0.80 0.00 0.00 1.02 0.00 0.00 145 R 8.68 4.22 0.00 1.83 1.83 0.00 3.25 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 146 Y 8.52 4.56 0.00 2.99 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 0.00 147 R 8.33 4.67 0.00 1.71 1.73 0.00 3.19 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 148 L 8.46 4.81 0.00 1.75 1.64 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.36 4.62 0.00 2.87 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 0.00 150 G 8.54 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.84 3.95 0.00 2.00 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 2.40 2.33 0.00 152 A 7.99 4.04 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 0.00 153 L 7.77 3.85 0.00 1.74 1.86 0.92 1.26 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 0.00 154 R 7.87 3.90 0.00 1.95 2.05 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 155 K 8.32 4.03 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.54 7.81 156 M 7.90 4.14 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 157 A 7.75 4.14 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 0.00 158 E 8.00 4.22 0.00 1.97 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 2.34 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.