NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 E 4.3548 8.3027 121.4798 56.3985 31.7526 177.6286 34 Q 3.8331 8.0981 119.1172 58.7324 28.9950 176.4412 35 A 4.0124 8.2155 121.5865 54.8750 18.7706 179.0295 36 R 3.8711 7.9705 116.8585 59.6928 30.3524 178.5117 37 L 4.1985 7.8152 118.6163 57.9376 41.6473 179.5652 38 L 4.0257 8.2850 119.0444 57.6371 41.5199 179.5160 39 K 3.9495 8.3210 119.5824 59.5828 32.1043 178.6350 40 E 4.0691 8.6779 119.2473 59.4384 29.4420 179.1095 41 L 3.5427 8.5956 120.4944 57.9185 42.0258 178.7221 42 A 3.8671 7.9663 120.6144 55.3606 18.1744 179.0045 43 D 4.3666 8.0604 116.1025 57.7398 41.0348 179.1929 44 I 3.9030 7.7695 119.0121 64.8000 37.2848 178.3078 45 Q 4.1735 7.7846 117.1185 58.7595 28.5412 178.5344 46 Q 4.0904 7.9046 115.1240 56.6475 29.2199 176.6889 *64 G 4.2535 8.3247 108.7910 46.0886 0.0000 175.8854 65 V 5.2611 8.5863 115.8735 59.7563 35.6818 172.8584 66 S 4.7796 9.3058 116.9799 58.0395 66.5645 172.0343 67 A 5.0903 8.3425 121.8496 51.3089 22.1688 175.1067 68 Q 4.3041 8.9203 119.1411 54.3208 33.0687 174.0178 69 I 4.0349 7.8884 123.8058 61.1715 38.8095 176.2911 70 V 3.8943 8.5912 127.3757 65.2443 32.9377 176.6796 71 G 4.1674 8.4848 102.5145 45.7955 0.0000 172.5953 72 G 3.9697 9.2377 108.2346 44.6442 0.0000 172.2318 73 D 4.6988 7.9182 120.9828 52.6721 41.3231 176.6198 74 I 4.1888 8.4033 120.0523 62.6900 38.3571 175.9923 75 H 4.4357 8.7462 118.8587 55.7560 28.8736 174.1480 76 R 5.0165 8.3384 121.0934 54.6509 32.9226 174.0521 77 W 5.3997 9.0611 125.7002 54.9053 33.4982 174.2904 78 R 4.8484 9.1826 122.0383 54.6042 31.8846 175.0717 79 G 4.2782 8.4182 113.0719 44.4422 0.0000 172.0940 80 F 5.6219 9.1528 119.4013 55.6386 43.3991 174.0676 81 I 5.1979 9.2550 123.3110 59.5346 41.1773 174.3618 82 A 4.8545 8.9061 129.2243 51.1428 19.4244 177.5512 83 G 4.1659 9.2216 110.7206 45.7861 0.0000 172.2136 84 P 4.7154 0.0000 0.0000 61.8226 32.2653 176.0220 85 L 4.1729 8.3026 120.9174 56.2240 42.0522 177.8024 86 G 3.9546 9.0638 110.5687 45.8759 0.0000 172.9851 87 T 4.7473 7.2472 107.8840 58.4586 71.5612 173.2772 88 P 4.0986 0.0000 0.0000 65.2128 31.3805 177.6554 89 Y 5.1874 7.1080 114.0506 57.1811 38.4961 175.0677 90 E 4.1260 7.7128 121.3363 58.0687 29.9003 177.4128 91 G 4.0129 9.0832 113.5840 45.4513 0.0000 173.7781 92 G 3.6010 8.1901 107.7655 46.0829 0.0000 172.6312 93 H 5.3421 8.5674 119.9507 53.7689 31.1534 173.3323 94 F 5.1138 9.3861 122.8268 56.0605 41.7268 174.8000 95 T 5.0893 9.2165 120.3267 61.9410 70.8457 173.6560 96 L 5.0609 8.4533 125.1978 52.8354 45.8898 174.7789 97 D 4.8977 8.8433 121.8875 53.1834 43.2295 175.2364 98 I 4.7345 8.5056 126.0227 59.6288 40.6147 174.5933 99 V 4.4626 8.8794 128.8837 61.2118 33.1160 174.7199 100 I 4.3037 7.9543 130.5188 59.0192 37.7014 174.6006 101 P 4.4575 0.0000 0.0000 61.4812 32.2077 175.3587 102 P 4.1450 0.0000 0.0000 65.5597 31.3827 177.1990 103 D 4.9268 7.9601 114.8880 52.9179 39.7024 175.1942 104 Y 4.4906 7.9938 120.3484 57.4152 38.8335 174.2485 105 P 3.2782 0.0000 0.0000 62.7447 31.7338 177.2758 106 Y 4.3906 7.6376 118.4268 60.2967 38.0624 175.6091 107 N 4.8687 8.0096 117.4537 50.5968 40.1921 172.9989 108 P 2.9700 0.0000 0.0000 60.8720 32.0446 174.2042 109 P 4.2429 0.0000 0.0000 63.0896 32.1452 175.3720 110 K 4.4728 8.8695 121.1191 55.2725 33.8941 175.5245 111 M 5.8424 8.6719 123.5382 52.4869 35.7585 174.7207 112 K 4.7982 8.1430 119.3771 55.5399 36.2703 174.7490 113 F 4.3383 9.3966 121.0959 57.7861 39.6117 176.6502 114 V 3.7692 9.0817 124.9584 66.1224 31.8852 176.7595 115 T 4.1131 8.2381 115.2410 63.8796 68.7473 174.1730 116 K 4.1609 8.6162 125.6835 56.8052 32.6674 176.1442 117 I 4.8913 8.3827 120.9854 59.7333 40.7645 173.9377 118 W 4.1893 8.7476 135.0000 56.1978 30.8176 174.4015 119 H 4.8844 7.6851 124.2185 54.1935 32.4736 172.7886 120 P 4.0438 0.0000 0.0000 65.2472 31.2684 177.1878 121 N 4.9509 8.1833 114.3002 52.6379 38.6943 174.3100 122 I 4.6306 7.2327 118.6025 59.1171 41.0185 175.2348 123 S 4.2427 8.7014 120.6039 58.3150 62.6412 175.3051 124 S 4.4763 9.0449 123.1100 61.0333 63.3862 175.7372 125 Q 4.3133 8.2489 119.6312 58.1036 28.8449 176.6097 126 T 4.4001 7.9945 104.5690 60.4400 70.6192 175.1973 127 G 4.0106 8.7403 109.7255 46.0438 0.0000 173.2241 128 A 4.3255 7.7544 123.2402 52.1758 18.8465 177.2030 129 I 4.9009 8.0042 113.7701 59.2931 40.8368 175.3297 130 C 4.5227 8.1924 120.1224 57.5504 32.0763 171.3250 131 L 4.6347 7.9562 126.7507 52.8483 43.6217 176.8819 132 D 4.3317 8.8235 125.8697 57.6770 40.4089 178.8591 133 I 3.8795 7.8516 118.2277 63.3568 37.7690 176.6245 134 L 4.6209 7.6155 117.5398 52.8874 42.2631 176.0916 135 K 4.7154 8.8481 119.9964 56.6767 31.8978 179.8354 136 H 4.3401 9.4075 126.4442 58.5570 28.5967 175.5814 137 E 4.4504 7.8059 118.1212 55.6433 29.6746 175.7982 138 W 4.4399 8.0149 129.3213 56.9945 31.4803 175.2987 139 S 4.2526 6.1734 117.2821 55.5684 64.8150 173.0153 140 P 4.0862 0.0000 0.0000 64.2459 30.9073 176.8315 141 A 4.0177 7.4367 120.7437 52.9738 18.7369 177.3215 142 L 4.2877 6.9258 116.6404 53.7162 43.2322 176.1230 143 T 5.0094 7.9874 109.5539 59.4190 73.1642 174.9137 144 I 3.8102 9.2257 122.9416 64.5722 36.9576 178.8076 145 R 4.0081 8.1568 119.4261 59.7103 30.0033 178.5715 146 T 4.0094 8.1321 109.3751 64.6090 68.7873 176.4709 147 A 4.0865 8.1120 123.2860 54.9958 18.3379 179.6052 148 L 3.9596 7.9892 117.5287 57.9415 41.6887 179.6691 149 L 4.0184 8.3953 119.3983 57.9053 41.5655 179.5909 150 S 4.1271 8.3238 113.1052 61.3858 62.4302 176.3290 151 I 3.7633 7.9115 122.6519 64.2360 36.6982 178.0551 152 Q 3.9724 8.3648 120.3796 59.2488 28.7532 178.2241 153 A 4.0283 8.1902 121.7402 55.5625 18.1695 179.2946 154 M 4.0259 7.8923 115.5506 58.6093 32.2917 178.1131 155 L 3.9229 7.6021 118.2062 57.6503 41.8812 179.0346 156 A 4.4339 7.7021 119.0953 53.5898 19.5915 177.5737 157 D 4.7138 7.5034 116.0464 52.0143 41.8165 172.6304 158 P 4.4938 0.0000 0.0000 62.0075 32.1244 176.9635 159 V 4.2016 9.0151 122.3099 59.9303 31.3951 174.2630 160 P 3.9954 0.0000 0.0000 64.9831 31.5155 178.4904 161 T 3.9332 7.7558 108.4678 63.1988 69.0865 173.6566 162 D 4.6563 7.4095 121.0865 51.4964 41.3851 172.8693 163 P 4.8199 0.0000 0.0000 61.0855 33.4372 175.4864 164 Q 4.2004 8.7088 119.8374 56.2995 30.2300 175.3819 165 D 4.6714 7.5850 116.3770 51.7754 43.3028 175.8430 166 A 3.8631 8.3277 129.7775 55.0434 18.6760 178.3428 167 E 3.8155 8.0547 117.3935 59.5838 29.6228 179.1404 168 V 3.0599 7.7980 117.8512 65.6726 31.3897 177.8341 169 A 3.7190 8.0146 120.8291 54.7568 18.1206 179.1382 170 K 3.7090 8.4336 118.5468 60.0958 32.1507 178.3371 171 M 4.0709 7.9501 117.8520 59.0857 31.9808 177.7278 172 M 3.8347 8.0215 117.1972 58.7265 32.2442 178.0222 173 I 3.8598 7.6222 119.1410 64.4209 37.5989 177.9670 174 E 4.2388 8.4901 118.8321 58.1118 31.0073 177.2498 175 N 5.0475 8.3804 117.4132 51.2346 39.9102 173.8708 176 H 4.2690 8.4807 123.3006 59.1340 30.4903 174.2203 177 P 4.3045 0.0000 0.0000 65.7737 30.9502 178.0568 178 L 3.9275 7.8826 118.8799 57.7653 41.8961 178.6676 179 F 4.2348 8.2173 120.6585 61.4811 39.4074 177.3198 180 V 3.1501 7.8607 117.7871 65.7042 31.2476 177.8194 181 Q 3.8169 7.7982 119.2907 59.4366 28.9108 178.2054 182 T 3.5805 7.9553 116.8950 66.5468 68.3682 176.5250 183 A 3.9204 7.6770 122.7722 54.8564 18.1839 179.6567 184 K 4.1414 7.8106 119.6528 58.8281 32.1742 178.7861 185 L 3.9357 8.0136 120.7367 58.1705 41.9562 179.1478 186 W 4.3320 8.7835 118.9140 59.8174 28.9978 178.7633 187 T 4.1778 8.1898 115.9704 66.9332 67.7875 176.2627 188 E 3.9479 8.1849 119.1059 59.9645 29.5561 179.4194 189 T 3.8024 7.8389 114.6475 65.5886 68.6327 176.2184 190 F 4.8404 8.2179 117.2759 57.4385 40.9235 176.8108 191 A 4.7232 8.2463 118.1271 51.5390 19.2055 176.5822 192 K 4.1175 7.7644 122.3961 56.6183 33.1499 176.0922 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 33 E 8.30 4.35 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 34 Q 8.10 3.83 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 35 A 8.22 4.01 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 36 R 7.97 3.87 0.00 1.98 2.16 0.00 3.30 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 37 L 7.82 4.20 0.00 1.92 1.95 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.28 4.03 0.00 1.72 1.74 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.32 3.95 0.00 2.00 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 40 E 8.68 4.07 0.00 2.52 2.29 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 2.48 2.71 0.00 41 L 8.60 3.54 0.00 1.36 1.59 -0.39 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.97 3.87 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 43 D 8.06 4.37 0.00 2.82 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 44 I 7.77 3.90 2.01 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.76 0.96 0.00 0.00 45 Q 7.78 4.17 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.18 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 46 Q 7.90 4.09 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.50 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 *64 G 8.32 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 65 V 8.59 5.26 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 0.79 0.00 0.00 1.00 0.00 0.00 66 S 9.31 4.78 0.00 3.94 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 67 A 8.34 5.09 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 68 Q 8.92 4.30 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 69 I 7.89 4.03 1.67 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 1.30 1.29 0.81 0.00 0.00 70 V 8.59 3.89 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 0.82 0.00 0.00 0.96 0.00 0.00 71 G 8.48 4.17 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 0.00 72 G 9.24 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 0.00 0.00 0.00 73 D 7.92 4.70 0.00 2.75 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 74 I 8.40 4.19 1.98 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 1.48 1.04 0.95 0.00 0.00 75 H 8.75 4.44 0.00 3.38 3.46 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.34 5.02 0.00 1.91 1.79 0.00 3.18 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 77 W 9.06 5.40 0.00 3.15 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 78 R 9.18 4.85 0.00 1.80 1.82 0.00 3.25 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.00 79 G 8.42 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 80 F 9.15 5.62 0.00 3.05 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 81 I 9.25 5.20 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 1.05 0.00 0.00 82 A 8.91 4.85 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 83 G 9.22 4.17 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 0.00 84 P 0.00 4.72 0.00 2.32 2.07 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 85 L 8.30 4.17 0.00 1.69 1.65 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.06 3.95 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 0.00 0.00 0.00 87 T 7.25 4.75 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 1.39 0.00 0.00 88 P 0.00 4.10 0.00 1.14 1.73 0.00 3.45 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 89 Y 7.11 5.19 0.00 3.23 3.32 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 90 E 7.71 4.13 0.00 2.17 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 2.38 2.35 0.00 91 G 9.08 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 0.00 0.00 0.00 92 G 8.19 3.60 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 0.00 0.00 0.00 93 H 8.57 5.34 0.00 2.90 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 9.39 5.11 0.00 3.20 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 95 T 9.22 5.09 4.36 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 1.18 0.00 0.00 96 L 8.45 5.06 0.00 1.22 1.36 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.84 4.90 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 98 I 8.51 4.73 1.85 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 0.97 0.72 0.51 0.00 0.00 99 V 8.88 4.46 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.86 0.00 0.00 100 I 7.95 4.30 1.47 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.03 0.29 0.00 0.00 101 P 0.00 4.46 0.00 2.42 2.13 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 102 P 0.00 4.15 0.00 2.07 2.17 0.00 3.64 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 2.03 2.08 0.00 103 D 7.96 4.93 0.00 2.98 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 0.00 104 Y 7.99 4.49 0.00 3.00 2.93 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 0.00 105 P 0.00 3.28 0.00 1.81 1.51 0.00 3.28 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.56 0.00 106 Y 7.64 4.39 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.01 4.87 0.00 2.77 2.69 0.00 0.00 6.91 8.03 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 0.00 108 P 0.00 2.97 0.00 1.58 0.93 0.00 3.62 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 109 P 0.00 4.24 0.00 1.77 1.61 0.00 2.44 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 110 K 8.87 4.47 0.00 1.56 1.67 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.28 7.81 111 M 8.67 5.84 0.00 1.71 1.82 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 112 K 8.14 4.80 0.00 1.97 1.85 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.49 7.81 113 F 9.40 4.34 0.00 2.98 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 0.00 114 V 9.08 3.77 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 0.79 0.00 0.00 0.91 0.00 0.00 115 T 8.24 4.11 4.77 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 1.55 0.00 0.00 116 K 8.62 4.16 0.00 0.79 1.17 0.00 1.83 0.00 0.00 1.53 0.00 0.00 3.08 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 0.36 7.81 117 I 8.38 4.89 1.98 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.48 0.00 0.00 118 W 8.75 4.19 0.00 2.29 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 0.00 119 H 7.69 4.88 0.00 2.97 2.78 0.00 5.73 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 0.00 120 P 0.00 4.04 0.00 2.06 1.98 0.00 3.29 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 121 N 8.18 4.95 0.00 2.67 2.81 0.00 0.00 6.67 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 0.00 122 I 7.23 4.63 1.51 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 0.75 0.21 0.61 0.00 0.00 123 S 8.70 4.24 0.00 3.82 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 0.00 124 S 9.04 4.48 0.00 4.34 3.72 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 0.00 125 Q 8.25 4.31 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 126 T 7.99 4.40 4.26 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 1.23 0.00 0.00 127 G 8.74 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 0.00 0.00 0.00 128 A 7.75 4.33 1.28 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 0.00 129 I 8.00 4.90 1.89 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 1.45 0.79 1.06 0.00 0.00 130 C 8.19 4.52 0.00 2.94 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 0.00 131 L 7.96 4.63 0.00 1.76 1.51 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.82 4.33 0.00 2.70 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 0.00 133 I 7.85 3.88 1.92 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 1.85 1.41 1.00 0.00 0.00 134 L 7.62 4.62 0.00 1.78 1.60 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.85 4.72 0.00 1.76 0.93 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.47 7.81 136 H 9.41 4.34 0.00 3.30 3.46 0.00 5.51 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 0.00 137 E 7.81 4.45 0.00 1.97 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 2.23 2.11 0.00 138 W 8.01 4.44 0.00 3.48 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 0.00 139 S 6.17 4.25 0.00 3.57 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 0.00 140 P 0.00 4.09 0.00 1.96 1.94 0.00 3.26 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 141 A 7.44 4.02 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 0.00 142 L 6.93 4.29 0.00 0.62 1.37 0.64 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.99 5.01 4.51 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 1.26 0.00 0.00 144 I 9.23 3.81 2.01 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.55 0.87 0.00 0.00 145 R 8.16 4.01 0.00 1.98 2.01 0.00 3.24 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 146 T 8.13 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 147 A 8.11 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.96 0.00 1.94 1.76 1.04 0.58 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 L 8.40 4.02 0.00 1.87 1.76 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.32 4.13 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.91 3.76 2.00 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 1.45 1.11 1.03 0.00 0.00 152 Q 8.36 3.97 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 153 A 8.19 4.03 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 0.00 154 M 7.89 4.03 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 155 L 7.60 3.92 0.00 1.88 1.67 0.28 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.70 4.43 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 0.00 157 D 7.50 4.71 0.00 2.55 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 0.00 158 P 0.00 4.49 0.00 1.89 1.61 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 159 V 9.02 4.20 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 1.01 0.00 0.00 0.91 0.00 0.00 160 P 0.00 4.00 0.00 2.08 1.94 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 161 T 7.76 3.93 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 1.16 0.00 0.00 162 D 7.41 4.66 0.00 2.42 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.82 0.00 2.10 2.02 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 164 Q 8.71 4.20 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 165 D 7.58 4.67 0.00 2.64 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 0.00 0.00 0.00 166 A 8.33 3.86 1.28 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 0.00 167 E 8.05 3.82 0.00 2.05 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 2.52 2.51 0.00 168 V 7.80 3.06 1.53 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 0.48 0.00 0.00 -0.87 0.00 0.00 169 A 8.01 3.72 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 0.00 170 K 8.43 3.71 0.00 1.96 1.93 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 171 M 7.95 4.07 0.00 2.58 2.29 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.80 0.00 172 M 8.02 3.83 0.00 1.73 1.21 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.24 0.00 173 I 7.62 3.86 1.98 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 1.45 0.63 0.88 0.00 0.00 174 E 8.49 4.24 0.00 2.04 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 2.34 2.31 0.00 175 N 8.38 5.05 0.00 2.71 2.71 0.00 0.00 6.64 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 0.00 176 H 8.48 4.27 0.00 3.48 3.35 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 P 0.00 4.30 0.00 2.33 2.34 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 178 L 7.88 3.93 0.00 1.98 1.91 0.89 0.84 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 0.00 179 F 8.22 4.23 0.00 3.40 3.24 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 0.00 180 V 7.86 3.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 181 Q 7.80 3.82 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 182 T 7.96 3.58 3.74 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 0.00 0.00 -0.55 0.00 0.00 183 A 7.68 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.81 4.14 0.00 1.73 1.92 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.27 7.81 185 L 8.01 3.94 0.00 1.79 1.92 0.86 0.96 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 0.00 186 W 8.78 4.33 0.00 3.68 3.72 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 0.00 187 T 8.19 4.18 4.51 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 1.38 0.00 0.00 188 E 8.18 3.95 0.00 2.16 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 2.33 2.36 0.00 189 T 7.84 3.80 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 0.25 0.00 0.00 190 F 8.22 4.84 0.00 3.38 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 0.00 191 A 8.25 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 7.76 4.12 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.