NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.4463 8.2893 120.3689 55.6219 33.2311 175.1490 6 D 5.0217 8.2572 126.9495 50.6607 43.3270 175.6743 7 F 4.0583 9.4531 122.4756 61.2153 39.7464 178.0824 8 Q 3.8450 8.2206 117.0890 59.0468 28.4216 178.3445 9 N 4.2163 8.5486 117.9592 56.4542 38.9001 176.6551 10 F 3.6082 7.7281 121.9747 61.0085 39.3908 177.0473 11 V 3.2704 7.3935 117.6833 66.0618 31.2830 177.7164 12 A 4.1198 7.8087 120.1992 55.5572 17.9257 179.8198 13 T 3.7243 7.6680 113.4452 66.3929 68.7880 176.4686 14 L 3.6986 7.6849 122.6056 58.2944 42.0886 178.6853 15 E 4.0221 8.4954 118.9507 59.6612 29.4719 179.4605 16 S 4.2985 8.1238 113.2542 60.5160 62.8661 176.2187 17 F 4.0369 8.3899 121.9290 60.1183 38.2934 177.3962 18 K 4.2182 7.9562 117.4732 59.2287 31.9493 177.6967 19 D 4.5396 7.9972 116.8130 55.1606 41.4762 176.0415 20 L 4.3930 7.5144 121.6380 53.0382 42.5162 177.2158 21 K 3.9314 8.9565 125.8651 59.5874 32.1448 177.9001 22 S 4.1949 8.0333 111.2942 59.0732 63.4860 175.1185 23 G 3.8077 8.1529 108.5926 45.5630 0.0000 172.7539 24 I 4.9122 7.6234 118.7262 58.7311 41.0884 175.5590 25 S 4.5999 8.6737 118.0080 55.6958 65.6469 174.8253 26 G 3.6407 8.8170 116.4911 48.0251 0.0000 175.6494 27 S 4.1292 7.9628 116.7529 61.1233 63.1283 176.3818 28 R 3.9120 8.1956 122.4947 58.9663 29.7418 178.6074 29 I 3.8835 8.1173 119.8562 64.2109 37.1336 178.0320 30 K 3.8851 8.3755 120.8382 59.4804 31.9222 178.5116 31 K 3.9587 8.1156 119.5908 59.7372 32.1494 178.6806 32 L 4.2766 8.0921 119.1025 58.2764 41.4875 179.7851 33 T 4.0242 8.1563 115.7194 66.7915 68.5375 177.1551 34 T 3.9507 8.5132 118.2093 66.7169 68.4094 176.0403 35 Y 4.0412 8.3100 121.2797 60.6630 38.7020 177.9249 36 A 4.2183 8.4608 121.7300 55.4445 18.2902 179.6935 37 L 4.1944 7.9481 116.1046 57.7281 41.7844 178.8847 38 D 4.4743 7.8662 117.2425 55.7507 41.5567 176.0087 39 H 4.8475 7.6406 117.0238 54.6562 29.8407 175.1540 40 I 3.6771 7.7196 122.2207 64.2475 37.4792 178.7256 41 D 4.3141 8.2431 120.0091 55.8585 39.2019 177.6169 42 I 4.2765 7.3973 112.0638 60.2503 38.0947 177.2818 43 E 4.0862 8.1896 123.3534 60.6112 28.9580 178.4872 44 S 4.1538 8.1080 113.8704 60.8132 62.3833 175.5007 45 K 4.2994 7.8911 120.1053 58.4190 32.7830 179.1354 46 I 3.8096 7.5739 121.4454 64.4489 37.0599 178.1118 47 I 3.7953 8.2485 121.3076 64.3356 36.9229 178.5302 48 S 4.1503 7.9429 114.7415 61.5134 62.6673 176.2673 49 L 4.0577 7.8523 124.4018 57.8446 41.9165 179.0347 50 I 3.9761 8.0097 113.0247 63.7774 37.6300 178.1989 51 I 3.7054 8.1101 121.9077 64.6000 37.0947 178.1560 52 D 4.4198 8.4762 119.7978 57.1916 40.6636 178.1556 53 Y 4.0190 8.5112 120.7004 60.7076 38.5996 177.9372 54 S 4.0060 7.6955 113.8831 60.9476 62.5186 176.1462 55 R 4.0351 7.8747 119.0766 58.3274 29.8857 177.4330 56 L 4.5578 7.3275 115.0582 54.3145 43.4066 176.5175 57 C 4.1914 7.2957 113.4999 56.4703 30.5174 171.6576 58 P 4.2646 0.0000 0.0000 63.0415 31.9328 177.0747 59 D 4.3847 8.9692 121.4448 57.9504 40.5578 179.8012 60 S 4.2449 8.0345 111.8881 61.1765 63.3301 175.0633 61 H 4.6078 8.2152 118.7364 56.6681 28.7627 177.2876 62 K 3.9090 7.9280 121.3836 59.0698 31.8054 178.5861 63 L 3.6858 7.9225 120.3025 58.1624 41.9122 178.8615 64 G 4.0215 8.2829 106.4873 47.3251 0.0000 175.3783 65 S 4.3474 8.1506 116.4575 61.2576 62.9599 176.5775 66 L 4.3189 7.8966 122.3895 57.5248 41.3271 178.9052 67 Y 4.6044 8.0717 117.1334 61.1549 37.7679 178.6002 68 I 3.7402 8.1383 120.8142 64.5195 37.2402 178.5405 69 I 3.7885 7.8129 120.2251 64.2875 36.9050 177.8342 70 D 4.6331 9.1295 119.3060 57.6115 41.1259 178.4640 71 S 4.0969 8.3712 113.4164 61.5677 62.4093 176.2209 72 I 3.6247 7.8334 122.6402 64.1272 36.8460 178.5337 73 G 3.5308 8.2984 106.9836 48.0531 0.0000 175.8121 74 R 3.9667 8.1636 120.0444 58.1388 30.2542 178.9398 75 A 4.0382 7.9790 121.0248 55.4128 18.3146 179.3230 76 Y 4.3310 8.3040 115.6104 61.1830 37.8179 178.2332 77 L 3.9162 8.1508 121.3327 58.3539 42.2171 178.8852 78 D 4.3675 8.3105 118.8413 57.2756 40.5145 178.5265 79 E 3.9794 7.8849 118.0473 59.6339 29.5207 178.8923 80 T 3.9831 7.8463 114.9647 67.0234 68.5482 176.2953 81 R 4.1719 7.7444 119.4016 58.3285 30.0249 178.8899 82 S 4.2355 7.7882 113.0563 60.7683 63.2360 176.7217 83 N 4.6865 7.7298 118.9287 52.5355 37.6942 176.6686 *88 S 4.3183 8.4324 121.2393 59.5663 63.7125 172.7226 89 N 5.0625 8.3095 116.3785 52.9866 39.9037 175.1915 90 K 4.1806 7.9246 117.2963 55.0819 32.9596 174.7927 91 P 4.0676 0.0000 0.0000 64.6853 31.5949 176.7490 92 G 3.8953 9.5817 110.2169 45.8464 0.0000 173.6797 93 T 4.5884 7.1688 108.0215 59.1838 72.8454 174.5325 94 C 3.6328 8.2926 119.4808 62.7662 28.1163 176.3398 95 A 3.9717 7.8156 121.9159 55.3226 18.0664 179.0054 96 H 4.0644 8.0680 116.1826 59.2833 29.9854 177.0174 97 A 4.1211 7.9057 122.5959 55.7295 18.1486 179.8239 98 I 3.8527 7.9380 117.9202 64.4180 37.0894 178.5576 99 N 4.3730 8.2342 117.5948 56.4925 38.3800 177.5238 100 T 3.8291 8.3126 117.5030 66.5569 68.5511 176.6472 101 L 4.0475 8.0325 120.8718 57.8841 41.5194 179.6441 102 G 3.6182 8.1919 104.3615 48.1015 0.0000 175.2024 103 E 4.1318 8.2628 119.3279 58.0696 29.7765 178.5763 104 V 4.2714 7.0982 109.8493 60.8310 32.8877 177.2332 105 I 3.4846 7.4047 119.6183 64.1104 37.5345 177.6983 106 Q 3.9696 7.8787 118.4575 58.6461 28.6543 177.8122 107 E 3.9323 8.1657 119.8948 59.5044 29.6287 178.8977 108 L 3.9949 7.9785 118.6888 57.6714 41.6147 179.4663 109 L 4.0206 8.3745 119.3129 57.9729 41.6364 179.6537 110 S 4.5346 8.3534 115.2125 61.8707 62.8438 176.4289 111 D 4.2889 8.1547 120.2220 57.2541 40.7841 177.9831 112 A 3.9747 7.9168 120.0947 55.2615 18.7745 179.4004 113 I 3.8108 8.1983 118.3095 64.6019 37.0373 178.6044 114 A 3.9783 7.9239 120.1327 54.4475 18.2657 178.8431 115 K 4.2490 7.7774 114.2618 55.9508 33.0145 176.9771 116 S 4.5797 7.0389 115.8157 57.2037 64.2821 174.3643 117 N 4.6968 8.2252 121.3899 52.1223 39.7497 176.1075 118 Q 3.9734 8.4878 118.5401 59.1488 28.6886 178.4788 119 D 4.3590 8.1411 118.3729 58.0103 41.2018 178.1097 120 H 4.2816 9.0826 116.8656 58.5846 28.6826 177.6964 121 K 3.8870 8.5421 120.8327 59.8776 32.0431 179.1258 122 E 4.0094 8.3312 118.4712 59.1201 29.3538 179.5307 123 K 4.0585 7.9655 118.3772 59.2253 32.0948 179.4791 124 I 3.4870 8.0760 120.6273 64.2327 37.0759 178.0585 125 R 3.7798 7.9755 119.6452 59.9848 29.7561 178.1181 126 M 3.9805 7.8747 117.2371 58.3557 32.1919 177.8281 127 L 3.6505 7.7793 120.5693 58.0655 42.1088 178.7449 128 L 3.9031 7.9560 119.1218 58.1002 41.4239 179.4523 129 D 4.3367 7.8668 118.5159 57.2946 40.7674 178.8187 130 I 3.7441 7.8699 120.4120 64.1771 37.1734 178.4276 131 W 4.4313 8.5762 120.2116 59.8429 28.6768 177.9059 132 D 4.4013 8.3126 116.8710 57.7597 40.8162 178.5090 133 R 4.0931 8.1891 117.1039 59.1346 30.0731 178.8578 134 S 4.3761 8.2068 114.3825 59.1985 62.9486 175.5225 135 G 3.8281 7.8258 108.0877 45.1201 0.0000 172.8531 136 L 3.5846 7.4750 121.6327 55.2899 42.4136 176.3678 137 F 4.0659 8.3141 125.5107 58.7126 35.6895 177.2027 138 Q 4.1834 8.2461 119.8105 58.7413 28.7335 177.4632 139 K 4.1768 8.0389 117.2573 58.4964 32.5295 177.2377 140 S 4.4667 7.7176 114.8638 57.6017 63.5844 173.1950 141 Y 4.4768 8.5981 126.2198 57.2128 38.6147 174.7527 142 L 4.4245 7.9251 126.1573 54.4083 43.2287 178.0500 143 N 4.0914 6.7115 116.5292 56.0040 39.0904 176.1695 144 A 4.0807 6.9316 122.0183 55.0540 18.4758 179.3586 145 I 2.0000 7.1166 116.6494 63.9943 37.1458 178.2087 146 R 3.8815 7.5984 118.7410 58.0719 30.4601 177.2322 147 S 4.3519 7.4337 113.7283 57.6512 63.8053 175.4432 148 K 4.0478 8.7091 122.0915 59.9111 31.7654 179.4141 149 C 4.2233 8.1270 116.6878 62.3991 27.8069 175.6733 150 F 4.1873 7.9721 121.5931 61.2287 39.3536 176.6374 151 A 4.0139 8.1949 119.6462 55.2357 18.0269 179.3251 152 A 3.9076 7.5750 117.6841 55.1504 18.5683 179.4264 153 A 4.0160 7.8563 117.6515 54.0816 18.4527 178.0859 154 L 4.1371 7.1598 121.5949 54.7872 41.9886 176.3105 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 M 8.29 4.45 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 6 D 8.26 5.02 0.00 3.18 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 7 F 9.45 4.06 0.00 3.25 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 8 Q 8.22 3.84 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 9 N 8.55 4.22 0.00 2.84 3.02 0.00 0.00 6.84 7.33 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 10 F 7.73 3.61 0.00 2.01 2.38 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 11 V 7.39 3.27 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 0.80 0.00 0.00 0.42 0.00 0.00 12 A 7.81 4.12 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 13 T 7.67 3.72 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 1.15 0.00 0.00 14 L 7.68 3.70 0.00 0.94 1.38 -0.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.50 4.02 0.00 2.08 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 2.39 0.00 16 S 8.12 4.30 0.00 3.98 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.39 4.04 0.00 3.05 3.25 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 18 K 7.96 4.22 0.00 1.88 1.93 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.64 1.82 7.81 19 D 8.00 4.54 0.00 2.77 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 20 L 7.51 4.39 0.00 1.76 1.53 0.42 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.96 3.93 0.00 1.72 1.86 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 22 S 8.03 4.19 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 24 I 7.62 4.91 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 1.12 0.00 0.00 25 S 8.67 4.60 0.00 3.60 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 26 G 8.82 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 27 S 7.96 4.13 0.00 4.05 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 28 R 8.20 3.91 0.00 1.64 1.66 0.00 2.21 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 29 I 8.12 3.88 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 0.99 0.00 0.00 30 K 8.38 3.89 0.00 1.92 2.03 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 31 K 8.12 3.96 0.00 2.10 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 32 L 8.09 4.28 0.00 1.97 1.87 0.51 -0.21 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 33 T 8.16 4.02 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 T 8.51 3.95 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 1.27 0.00 0.00 35 Y 8.31 4.04 0.00 3.35 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 36 A 8.46 4.22 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 37 L 7.95 4.19 0.00 1.71 1.81 0.98 1.27 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 38 D 7.87 4.47 0.00 2.68 2.36 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 39 H 7.64 4.85 0.00 2.73 3.00 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.72 3.68 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.72 0.70 0.00 0.00 41 D 8.24 4.31 0.00 2.77 2.89 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 0.00 0.00 0.00 42 I 7.40 4.28 1.72 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 1.33 0.93 0.82 0.00 0.00 43 E 8.19 4.09 0.00 2.45 2.38 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 2.38 2.49 0.00 44 S 8.11 4.15 0.00 3.96 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 45 K 7.89 4.30 0.00 1.97 1.96 0.00 0.80 0.00 0.00 1.34 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.86 7.81 46 I 7.57 3.81 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.89 0.00 0.00 47 I 8.25 3.80 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.20 0.96 0.00 0.00 48 S 7.94 4.15 0.00 4.09 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 49 L 7.85 4.06 0.00 2.05 2.11 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.01 3.98 1.93 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 1.89 0.52 1.10 0.00 0.00 51 I 8.11 3.71 2.13 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 1.54 1.03 0.92 0.00 0.00 52 D 8.48 4.42 0.00 2.95 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 53 Y 8.51 4.02 0.00 3.10 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 54 S 7.70 4.01 0.00 4.08 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 55 R 7.87 4.04 0.00 1.99 1.96 0.00 3.35 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 56 L 7.33 4.56 0.00 1.64 1.62 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.30 4.19 0.00 2.74 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 0.00 0.00 0.00 58 P 0.00 4.26 0.00 1.97 1.92 0.00 3.51 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 59 D 8.97 4.38 0.00 2.73 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.03 4.24 0.00 4.04 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 61 H 8.22 4.61 0.00 3.42 3.44 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.93 3.91 0.00 1.77 1.82 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.56 7.81 63 L 7.92 3.69 0.00 1.45 1.34 0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.28 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 65 S 8.15 4.35 0.00 4.20 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 0.00 66 L 7.90 4.32 0.00 1.80 1.84 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.07 4.60 0.00 3.22 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 68 I 8.14 3.74 1.98 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.81 0.00 0.00 69 I 7.81 3.79 2.22 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.62 1.02 0.00 0.00 70 D 9.13 4.63 0.00 3.43 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 71 S 8.37 4.10 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.62 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.33 0.00 0.00 73 G 8.30 3.53 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 0.00 0.00 0.00 74 R 8.16 3.97 0.00 1.98 1.97 0.00 3.19 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 75 A 7.98 4.04 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 76 Y 8.30 4.33 0.00 3.17 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 77 L 8.15 3.92 0.00 1.79 1.79 0.85 1.07 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 78 D 8.31 4.37 0.00 2.93 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 79 E 7.88 3.98 0.00 2.15 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 2.56 2.52 0.00 80 T 7.85 3.98 4.48 0.00 0.00 0.00 0.00 0.00 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 81 R 7.74 4.17 0.00 1.80 1.96 0.00 3.32 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 82 S 7.79 4.24 0.00 4.05 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 83 N 7.73 4.69 0.00 2.82 2.24 0.00 0.00 6.96 7.45 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 *88 S 8.43 4.32 0.00 3.98 3.89 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 0.00 0.00 0.00 89 N 8.31 5.06 0.00 2.66 2.82 0.00 0.00 6.99 7.61 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 90 K 7.92 4.18 0.00 1.72 1.66 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.37 7.81 91 P 0.00 4.07 0.00 1.94 1.91 0.00 3.59 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 92 G 9.58 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 0.00 0.00 0.00 93 T 7.17 4.59 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 94 C 8.29 3.63 0.00 2.82 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 95 A 7.82 3.97 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 96 H 8.07 4.06 0.00 3.28 3.46 0.00 5.61 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 97 A 7.91 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.94 3.85 2.01 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 1.50 0.87 0.87 0.00 0.00 99 N 8.23 4.37 0.00 2.95 2.86 0.00 0.00 6.94 6.40 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 0.00 100 T 8.31 3.83 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 1.20 0.00 0.00 101 L 8.03 4.05 0.00 2.07 1.75 1.02 0.97 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 0.00 102 G 8.19 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.26 4.13 0.00 2.06 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 2.55 2.49 0.00 104 V 7.10 4.27 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 0.85 0.00 0.00 0.96 0.00 0.00 105 I 7.40 3.48 1.03 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 0.46 1.05 0.48 0.00 0.00 106 Q 7.88 3.97 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 107 E 8.17 3.93 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 108 L 7.98 3.99 0.00 1.75 1.72 0.92 0.46 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 0.00 109 L 8.37 4.02 0.00 1.71 1.72 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.35 4.53 0.00 3.99 4.20 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 0.00 111 D 8.15 4.29 0.00 2.92 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 0.00 112 A 7.92 3.97 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 0.00 113 I 8.20 3.81 2.15 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 1.51 1.23 1.01 0.00 0.00 114 A 7.92 3.98 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 0.00 115 K 7.78 4.25 0.00 1.81 1.83 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.52 7.81 116 S 7.04 4.58 0.00 4.03 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 0.00 117 N 8.23 4.70 0.00 2.96 2.92 0.00 0.00 6.09 7.44 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 0.00 118 Q 8.49 3.97 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 119 D 8.14 4.36 0.00 2.79 2.89 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 0.00 0.00 0.00 120 H 9.08 4.28 0.00 3.37 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.54 3.89 0.00 1.95 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.82 7.81 122 E 8.33 4.01 0.00 2.00 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 2.48 2.49 0.00 123 K 7.97 4.06 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.57 7.81 124 I 8.08 3.49 1.95 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 1.26 0.56 0.80 0.00 0.00 125 R 7.98 3.78 0.00 1.97 2.06 0.00 3.22 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 126 M 7.87 3.98 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 127 L 7.78 3.65 0.00 1.84 1.38 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.96 3.90 0.00 1.75 1.66 0.81 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.87 4.34 0.00 2.87 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 0.00 130 I 7.87 3.74 1.96 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 1.53 0.74 1.04 0.00 0.00 131 W 8.58 4.43 0.00 3.53 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 0.00 132 D 8.31 4.40 0.00 2.81 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 0.00 133 R 8.19 4.09 0.00 1.96 2.01 0.00 3.27 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 134 S 8.21 4.38 0.00 4.04 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 0.00 135 G 7.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.47 3.58 0.00 1.17 0.98 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.31 4.07 0.00 3.30 3.03 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 0.00 138 Q 8.25 4.18 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 139 K 8.04 4.18 0.00 1.83 1.95 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 140 S 7.72 4.47 0.00 4.15 3.82 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 0.00 141 Y 8.60 4.48 0.00 2.86 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 0.00 142 L 7.93 4.42 0.00 1.68 1.59 1.18 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 143 N 6.71 4.09 0.00 2.44 2.11 0.00 0.00 7.03 7.96 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 0.00 144 A 6.93 4.08 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 0.00 145 I 7.12 2.00 1.62 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 0.70 0.09 0.52 0.00 0.00 146 R 7.60 3.88 0.00 1.83 2.02 0.00 3.20 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 147 S 7.43 4.35 0.00 4.10 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 0.00 148 K 8.71 4.05 0.00 1.84 1.93 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.64 1.55 7.81 149 C 8.13 4.22 0.00 3.03 3.02 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 0.00 150 F 7.97 4.19 0.00 3.12 3.37 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 0.00 151 A 8.19 4.01 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 0.00 152 A 7.57 3.91 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 A 7.86 4.02 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 0.00 154 L 7.16 4.14 0.00 1.57 1.40 0.41 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.