NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2607 8.2644 123.5626 51.5180 20.1158 176.2123 1 L 4.2099 8.2253 120.3858 56.6337 42.8822 174.7281 2 Y 5.6501 7.3386 114.1923 57.0390 41.8354 175.2390 3 F 4.7393 9.7950 120.4329 57.5141 45.7257 176.7964 *5 G 3.3252 9.1249 107.7074 44.9432 0.0000 171.5574 6 H 4.6922 7.9447 114.3497 53.8725 30.9732 172.5398 *8 I 4.2983 8.1692 116.9203 60.6154 39.7006 174.0623 9 L 5.2715 8.1528 124.7019 53.4486 44.7720 175.0595 10 V 4.9185 9.0094 126.5712 61.2886 34.3731 173.5351 11 Y 4.9979 8.4442 128.5288 56.1029 41.8297 174.0767 12 S 5.3787 7.8027 118.0317 58.2307 66.5827 172.7741 13 T 4.8825 7.8556 112.2969 59.7604 71.5263 173.0261 14 F 4.5740 9.2158 120.9719 54.7388 42.9956 174.4610 15 P 4.3252 0.0000 0.0000 65.2161 31.5658 176.0633 16 N 4.9062 7.6673 114.9990 50.5849 41.0167 174.7712 17 E 2.6157 8.1221 120.3249 58.9105 29.4297 178.1557 18 E 3.7266 7.8102 117.9946 59.4852 29.5855 179.3046 19 K 3.7446 8.7010 119.4898 59.1565 32.2155 178.7064 20 A 2.7575 7.4976 120.8815 54.7853 18.1940 179.6892 21 L 3.4945 7.5435 117.4934 57.5013 41.6541 179.3221 22 E 3.7653 7.9566 119.3084 59.3899 29.5655 179.0514 23 I 3.6447 7.4704 119.9243 64.0349 37.0794 178.6028 24 G 3.0327 7.5083 106.6322 47.5937 0.0000 175.7096 25 R 4.0126 8.0497 121.3568 59.1863 29.9845 178.8159 26 K 4.2129 7.9660 119.6019 58.8793 31.9016 179.3959 27 L 3.9435 8.0156 119.4746 57.5476 41.3851 179.5218 28 L 4.0074 7.9758 119.1006 57.7736 41.2301 179.1686 29 E 3.9715 8.4300 118.6963 58.9873 29.1320 178.5800 30 K 4.4465 7.5596 115.5941 55.0648 32.4929 176.6242 31 R 3.8082 7.8151 117.1366 57.3073 28.1291 177.2471 32 L 4.3940 8.0443 118.2924 55.4971 42.5444 177.2162 33 I 4.6940 7.3137 109.7116 59.0430 40.5588 174.5826 34 A 4.2578 8.6788 123.4231 53.7562 19.8429 176.9067 35 C 4.9520 7.6974 112.8760 58.8419 34.9111 172.6548 36 F 5.6297 8.5088 117.6111 55.2244 41.1041 173.6955 37 N 5.1902 9.3393 117.2699 51.6786 41.6474 173.2479 38 A 5.5736 9.1750 125.4067 50.3275 22.1555 175.0078 39 F 4.6040 8.5698 114.3147 54.9912 41.7940 173.3710 40 E 3.2014 7.3375 121.7633 55.7805 30.1529 175.6888 41 I 4.7638 8.4146 118.7984 59.3267 41.8173 173.7899 42 R 5.1071 8.5907 121.6957 54.4963 32.2762 175.5085 43 S 4.9626 9.2591 117.9050 56.6709 66.9529 173.0322 44 G 4.9259 8.3956 106.5139 45.0485 0.0000 171.2956 45 Y 4.8420 7.4308 119.9191 56.0482 41.1893 172.6682 46 W 4.9217 9.1649 119.5661 56.0061 30.5912 176.9011 47 W 4.8526 9.6059 134.0594 57.2251 32.4959 174.7803 48 K 3.7680 9.1144 127.7431 57.6304 28.7635 176.6409 49 G 4.1224 8.6237 103.7911 45.7366 0.0000 173.1896 50 E 4.8916 8.1256 118.0977 54.3037 34.1678 174.8105 51 I 3.8209 7.8233 123.1823 60.7868 37.9233 175.7552 52 V 4.3349 8.1903 120.0495 59.3875 35.2375 174.3062 53 Q 4.8892 8.2804 123.1508 54.6680 31.1882 173.8707 54 D 4.8769 9.1893 124.0263 52.7900 45.8042 173.6293 55 K 5.0648 8.5979 120.3442 54.8721 34.9491 175.5271 56 E 4.9130 9.1367 123.3143 55.0600 34.9272 173.5064 57 W 4.8723 9.2700 119.1702 55.3438 32.4924 175.4894 58 A 4.6831 8.4119 126.5891 50.7723 21.2203 175.5543 59 A 4.8968 7.8574 119.8534 50.4222 23.2688 175.3241 60 I 4.6163 8.7438 115.7263 59.0474 40.3931 174.4087 61 F 5.5321 9.3682 125.2239 55.7636 41.5712 174.4971 62 K 5.0371 9.1317 123.5215 55.3859 34.1058 175.5827 63 T 4.4762 8.3790 119.2238 61.8391 70.5835 172.5294 64 T 4.7711 8.3585 110.0620 60.0541 71.1218 175.1751 65 E 4.0515 8.8205 122.3413 59.7723 29.1296 179.6852 66 E 4.1121 8.2575 117.1446 58.3763 29.8561 178.1368 67 K 4.3978 7.9481 117.0210 56.1063 32.5196 177.7737 68 E 4.0476 7.9307 121.1251 59.3400 29.5669 178.5260 69 K 3.9121 8.0593 118.8299 59.7395 32.2568 178.3706 70 E 4.1605 8.1760 118.2919 59.2168 29.3292 178.9267 71 L 3.8776 8.4117 120.8074 58.4765 42.0088 178.6450 72 Y 3.8993 8.4083 116.7483 61.1381 37.7917 178.5999 73 E 4.0380 8.3575 119.5893 59.3966 29.5833 179.0392 74 E 3.9556 8.4922 119.6379 59.1177 29.6918 178.8710 75 L 3.9520 8.1607 119.4970 57.6650 41.4320 179.3963 76 R 3.9547 8.0005 117.9662 59.0510 30.0334 178.3074 77 K 4.0914 7.7500 118.8726 59.2854 32.4195 178.2907 78 L 4.3158 7.7603 116.3979 54.7660 42.2243 176.7029 79 H 4.1683 7.7752 120.1849 55.2084 30.2004 173.6252 80 P 4.4173 0.0000 0.0000 65.2748 31.8222 176.3227 81 Y 4.7592 7.7707 116.8569 57.1758 38.9316 176.0188 82 E 4.1414 9.0184 124.2204 59.1221 30.3244 177.3606 83 T 4.6714 7.4912 113.5194 60.9378 68.7153 171.5970 84 P 4.4345 0.0000 0.0000 62.1357 32.9665 176.6699 85 A 4.4807 8.3657 121.8053 51.7016 19.8095 176.7492 86 I 5.1442 8.6932 123.6298 59.8110 40.8059 174.4257 87 F 5.3577 8.1832 120.7575 55.9708 41.5430 172.7109 88 T 5.2572 8.9358 114.0829 60.5555 69.0926 173.2056 89 L 4.9082 9.0599 128.1414 52.9012 44.6672 175.6833 90 K 4.3154 8.6232 123.1449 55.8897 32.8027 176.2025 91 V 4.2824 8.2925 126.2038 61.4273 32.5350 175.0364 92 E 4.2840 8.8419 127.1749 58.7154 30.0134 176.0891 93 N 5.3574 7.6578 112.6720 52.2880 43.3078 173.8683 94 I 4.5856 8.7954 119.2449 59.4473 42.1989 173.5483 95 L 4.5398 8.8342 130.5855 56.0307 42.3971 177.5053 96 T 4.2766 9.1953 124.2537 67.1229 68.9151 175.5065 97 E 4.2102 8.4306 120.2150 59.6890 29.7670 178.8346 98 Y 4.2876 7.9530 119.3762 57.9282 38.4091 177.2660 *100 N 4.7260 8.3145 117.3752 52.6247 40.8324 176.7850 101 W 4.2363 8.1851 127.4391 60.2787 30.5930 178.0886 102 L 3.5107 8.1598 119.4150 57.5285 40.8304 179.3782 103 R 3.8080 7.7354 116.7298 59.5896 30.2831 177.9014 104 E 4.0159 8.1520 118.3232 59.5330 29.1999 179.5993 105 S 3.8434 7.6333 114.2079 60.3560 62.7294 176.0339 106 V 4.2148 6.8493 112.3031 59.5912 31.9680 175.3891 107 L 3.9950 6.9924 122.7693 55.6174 42.6879 175.1855 108 G 3.9272 8.9360 111.8196 44.3702 0.0000 173.6312 109 S 4.2405 8.3331 114.4977 58.7852 62.8589 173.7662 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 0 A 8.26 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 L 8.23 4.21 0.00 1.97 1.91 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 7.34 5.65 0.00 3.16 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 3 F 9.80 4.74 0.00 3.12 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 *5 G 9.12 3.33 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 0.00 6 H 7.94 4.69 0.00 3.17 3.39 0.00 5.49 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 *8 I 8.17 4.30 1.98 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 1.31 0.71 0.98 0.00 0.00 9 L 8.15 5.27 0.00 1.63 1.63 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.01 4.92 2.27 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 0.81 0.00 0.00 1.03 0.00 0.00 11 Y 8.44 5.00 0.00 2.72 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.80 5.38 0.00 3.86 3.55 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 13 T 7.86 4.88 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 1.17 0.00 0.00 14 F 9.22 4.57 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 15 P 0.00 4.33 0.00 2.27 2.44 0.00 3.33 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 16 N 7.67 4.91 0.00 3.07 2.96 0.00 0.00 5.92 7.66 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 17 E 8.12 2.62 0.00 1.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 18 E 7.81 3.73 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 19 K 8.70 3.74 0.00 1.78 1.69 0.00 1.42 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 20 A 7.50 2.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.54 3.49 0.00 1.50 1.63 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.96 3.77 0.00 1.99 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 2.18 2.25 0.00 23 I 7.47 3.64 1.34 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 1.28 0.27 0.67 0.00 0.00 24 G 7.51 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 0.00 0.00 0.00 25 R 8.05 4.01 0.00 1.97 2.07 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 26 K 7.97 4.21 0.00 1.88 1.76 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.44 7.81 27 L 8.02 3.94 0.00 1.73 1.56 0.04 0.23 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 28 L 7.98 4.01 0.00 1.95 1.75 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.43 3.97 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 30 K 7.56 4.45 0.00 1.62 1.79 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.58 7.81 31 R 7.82 3.81 0.00 1.89 1.94 0.00 3.25 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 32 L 8.04 4.39 0.00 1.66 1.66 0.87 0.77 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 I 7.31 4.69 2.03 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 1.28 0.75 0.86 0.00 0.00 34 A 8.68 4.26 1.02 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 35 C 7.70 4.95 0.00 3.36 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 36 F 8.51 5.63 0.00 2.97 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.34 5.19 0.00 2.75 2.85 0.00 0.00 6.77 7.51 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 38 A 9.18 5.57 1.54 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 0.00 0.00 39 F 8.57 4.60 0.00 2.84 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 40 E 7.34 3.20 0.00 1.16 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 2.05 1.96 0.00 41 I 8.41 4.76 1.87 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 1.13 0.50 0.77 0.00 0.00 42 R 8.59 5.11 0.00 1.69 2.05 0.00 3.14 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 S 9.26 4.96 0.00 4.00 4.03 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 44 G 8.40 4.93 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 45 Y 7.43 4.84 0.00 3.12 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 46 W 9.16 4.92 0.00 3.30 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 47 W 9.61 4.85 0.00 3.57 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 48 K 9.11 3.77 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 0.39 7.81 49 G 8.62 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 0.00 0.00 0.00 50 E 8.13 4.89 0.00 1.92 1.78 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 2.28 2.34 0.00 51 I 7.82 3.82 1.43 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.52 0.00 0.00 52 V 8.19 4.33 1.80 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 0.69 0.00 0.00 0.25 0.00 0.00 53 Q 8.28 4.89 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 54 D 9.19 4.88 0.00 2.70 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 55 K 8.60 5.06 0.00 1.68 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.44 7.81 56 E 9.14 4.91 0.00 1.90 2.19 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 2.37 2.38 0.00 57 W 9.27 4.87 0.00 3.36 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 58 A 8.41 4.68 0.33 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 59 A 7.86 4.90 0.81 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 60 I 8.74 4.62 1.97 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 1.53 0.98 1.20 0.00 0.00 61 F 9.37 5.53 0.00 3.00 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 62 K 9.13 5.04 0.00 1.91 1.92 0.00 1.96 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.54 7.81 63 T 8.38 4.48 4.33 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 1.28 0.00 0.00 64 T 8.36 4.77 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 1.15 0.00 0.00 65 E 8.82 4.05 0.00 2.09 2.10 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 2.38 2.60 0.00 66 E 8.26 4.11 0.00 1.94 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 0.00 2.33 2.47 0.00 67 K 7.95 4.40 0.00 1.90 1.83 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.56 7.81 68 E 7.93 4.05 0.00 2.10 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 0.00 2.37 2.65 0.00 69 K 8.06 3.91 0.00 1.86 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.52 7.81 70 E 8.18 4.16 0.00 2.20 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 2.41 2.38 0.00 71 L 8.41 3.88 0.00 1.81 1.96 0.63 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.41 3.90 0.00 3.21 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 73 E 8.36 4.04 0.00 2.20 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 2.37 2.64 0.00 74 E 8.49 3.96 0.00 2.13 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 0.00 2.22 2.31 0.00 75 L 8.16 3.95 0.00 1.81 1.64 0.70 0.97 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 76 R 8.00 3.95 0.00 1.91 2.22 0.00 3.36 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 77 K 7.75 4.09 0.00 1.82 1.98 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 78 L 7.76 4.32 0.00 1.62 1.63 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.78 4.17 0.00 3.36 3.21 0.00 5.95 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.42 0.00 2.21 2.12 0.00 3.35 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 1.40 1.78 0.00 81 Y 7.77 4.76 0.00 2.95 2.74 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 0.00 82 E 9.02 4.14 0.00 2.02 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 2.35 2.39 0.00 83 T 7.49 4.67 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 1.25 0.00 0.00 84 P 0.00 4.43 0.00 1.66 1.51 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 85 A 8.37 4.48 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 0.00 0.00 86 I 8.69 5.14 1.88 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 0.90 1.63 0.36 0.00 0.00 87 F 8.18 5.36 0.00 3.18 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.94 5.26 4.61 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 1.43 0.00 0.00 89 L 9.06 4.91 0.00 1.71 1.65 1.04 0.87 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 90 K 8.62 4.32 0.00 1.74 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.59 7.81 91 V 8.29 4.28 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 0.94 0.00 0.00 1.00 0.00 0.00 92 E 8.84 4.28 0.00 2.02 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 2.31 2.29 0.00 93 N 7.66 5.36 0.00 2.61 2.86 0.00 0.00 6.61 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 94 I 8.80 4.59 1.93 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.87 0.00 0.00 95 L 8.83 4.54 0.00 1.89 1.71 1.04 0.87 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 96 T 9.20 4.28 4.32 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 1.10 0.00 0.00 97 E 8.43 4.21 0.00 2.14 2.10 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 2.46 2.37 0.00 98 Y 7.95 4.29 0.00 3.02 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 N 8.31 4.73 0.00 3.11 2.96 0.00 0.00 6.64 7.68 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 0.00 101 W 8.19 4.24 0.00 3.42 3.28 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 0.00 102 L 8.16 3.51 0.00 1.56 1.54 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.74 3.81 0.00 1.82 2.09 0.00 3.28 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 104 E 8.15 4.02 0.00 1.84 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 2.30 2.58 0.00 105 S 7.63 3.84 0.00 3.23 3.31 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 0.00 106 V 6.85 4.21 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 0.68 0.00 0.00 0.96 0.00 0.00 107 L 6.99 4.00 0.00 1.60 1.63 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.94 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 0.00 109 S 8.33 4.24 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.