NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4542 8.1927 115.2982 57.9997 63.6892 174.3571 3 Q 3.8862 8.6746 128.8081 57.2077 28.8741 176.3060 4 S 4.3249 8.8382 115.8494 60.6611 63.9536 175.5780 5 N 4.4691 8.2373 120.0294 56.0178 38.3066 177.0128 6 R 3.9408 7.9759 119.8604 59.4100 30.2081 178.1852 7 E 3.8799 8.2365 119.0052 59.3585 29.7899 178.6882 8 L 3.9268 8.1526 119.2118 57.7894 41.5430 179.7475 9 V 4.0250 8.0699 118.2302 66.1370 31.4854 178.3686 10 V 3.6861 7.9280 118.0662 66.0048 31.4446 177.4326 11 D 4.3424 8.2627 117.8918 57.3562 41.1356 178.0450 12 F 4.2509 8.2293 120.6117 61.0483 39.4575 177.4521 13 L 4.1516 8.6754 118.9960 57.9869 41.5052 179.5859 14 S 4.4322 8.8740 115.6472 61.9002 62.7795 176.1687 15 Y 4.2074 7.9986 121.7454 60.5999 38.3018 178.2748 16 K 3.7195 7.8998 119.2228 59.1017 32.1598 179.2720 17 L 4.0893 8.0668 119.3282 57.9268 41.5107 179.0841 18 S 4.3931 8.6142 114.4601 61.1089 62.0865 176.1432 19 Q 3.4262 7.3985 121.2239 58.8984 28.8645 178.1560 20 K 4.1723 7.5797 114.3867 56.0322 32.0992 177.2102 21 G 3.6244 8.9882 108.0097 45.6773 0.0000 172.9397 22 Y 4.8354 7.6584 118.0572 55.8842 40.4803 174.2984 23 S 5.0747 8.1833 113.9899 56.1895 66.3809 174.1680 24 W 4.0128 9.1176 130.3898 59.9200 30.2565 175.8698 25 S 4.8443 8.3664 112.6037 55.8442 65.0137 174.8155 26 Q 3.9285 8.2075 118.6836 58.0856 28.2988 176.7666 27 F 5.0958 7.6681 115.2756 57.2490 40.9226 175.2873 28 S 4.6617 7.7359 115.9037 58.3902 62.4288 175.8761 29 D 4.6578 7.6969 120.1035 53.1709 41.7083 176.1304 *73 S 4.2700 8.1186 117.4832 57.3518 64.2222 174.3523 74 S 4.1896 8.4442 117.0295 58.5235 62.8475 174.5806 75 L 4.1576 8.3034 125.2036 54.8939 42.5896 177.4513 76 D 4.4938 8.8266 123.5722 56.6566 40.9338 176.8263 77 A 4.5304 7.3769 122.3979 50.2458 19.9169 176.1071 78 R 4.1461 7.9598 121.9655 56.7505 32.9847 172.6317 79 E 5.9800 7.6664 131.1478 56.6508 31.8189 175.9963 80 V 4.2323 7.5520 127.1561 60.6996 32.6231 175.0141 81 I 4.0706 7.8806 123.0148 61.8508 38.8064 173.5537 82 P 4.8105 0.0000 0.0000 61.2307 33.5262 176.7977 83 M 3.9293 8.6333 120.7257 58.7930 32.0499 178.5346 84 A 4.0060 7.9678 120.2145 55.0782 18.5506 179.2820 85 A 3.9960 7.8242 119.5096 54.9113 18.4030 180.1649 86 V 3.6000 7.5313 116.5126 66.0289 31.7643 178.0508 87 K 3.7348 8.2169 118.7074 59.5548 31.9301 179.0596 88 Q 3.8066 7.8292 119.0501 59.1667 29.0172 177.9431 89 A 4.0496 7.9439 121.8227 55.2138 18.3203 179.4030 90 L 4.0779 8.5274 119.2383 58.1735 42.1038 179.2126 91 R 3.9756 8.0597 118.1159 59.4084 29.8902 178.9112 92 E 4.0294 8.3238 117.7845 59.5087 29.4899 179.1782 93 A 4.3717 8.7040 121.4063 55.3503 18.4373 179.9418 94 G 4.0103 8.9340 104.6284 48.1624 0.0000 175.7712 95 D 4.5816 8.5663 121.3410 57.3141 40.9291 178.6788 96 E 4.0591 8.7278 119.4013 59.2838 29.4800 179.0015 97 F 4.0952 8.7610 120.8846 61.6141 39.3178 176.8889 98 E 4.1574 8.5643 117.2707 59.3619 29.5242 178.4612 99 L 4.1163 8.0790 118.4103 57.4095 41.6754 178.9683 100 R 4.0389 7.6801 117.9649 57.3619 30.8498 175.8008 101 Y 4.2838 7.0145 117.3117 55.4416 37.1571 175.6932 102 R 3.8870 8.0553 121.8954 59.3987 30.7057 178.0825 103 R 4.0840 7.9306 116.3261 57.3094 30.7907 176.0466 104 A 3.6041 7.5814 119.2700 53.9057 18.1101 177.0432 105 F 4.5114 8.7919 119.7584 58.1418 38.0159 177.2957 106 S 4.4849 7.8340 116.3839 61.8819 62.5099 176.6497 107 D 4.3452 8.0276 120.6507 57.2791 40.8544 178.6231 108 L 3.9594 7.8238 119.1797 58.0104 41.6362 179.6223 109 T 4.1711 9.4851 110.2272 65.0093 68.7424 176.9637 110 S 4.2387 7.9265 116.9587 61.4299 62.8930 176.2439 111 Q 4.1103 8.0371 121.4645 58.6468 28.8093 177.6695 112 L 4.0393 8.2285 121.2919 57.2593 43.6542 176.4726 113 H 3.9788 8.6223 115.3866 56.9845 28.3709 173.9392 114 I 3.8755 7.3646 120.4153 61.1875 39.1474 174.5110 115 T 4.7272 9.0251 116.6073 58.9233 71.8344 172.7927 116 P 4.3561 0.0000 0.0000 64.7249 31.2692 177.9355 117 G 3.8156 8.2915 106.9046 47.2328 0.0000 174.5022 118 T 4.0199 7.8983 117.5278 63.3375 69.3329 174.1849 119 A 4.6192 8.1763 128.4699 50.7320 21.1181 177.0691 120 Y 2.7680 8.4207 120.2164 60.7378 38.5040 178.5921 121 Q 3.7499 8.0587 118.0698 59.3766 28.7840 179.6140 122 S 4.0070 7.3736 114.5690 61.5069 62.7676 176.6002 123 F 4.0816 7.5518 122.8230 61.1790 39.1281 176.5875 124 E 3.8380 8.1118 119.4449 59.0653 29.0881 178.6671 125 Q 3.8224 7.7779 118.7889 59.1289 29.3715 177.7970 126 V 3.5802 7.5264 119.2625 66.2013 31.3629 178.2002 127 V 3.1288 7.5305 117.8703 65.7255 30.8954 177.4266 128 N 4.5043 8.1281 117.7530 55.7977 38.2568 177.1127 129 E 3.8991 7.8346 119.8648 59.3077 29.3080 179.0661 130 L 3.7048 7.0803 117.9199 57.3319 41.7215 178.6535 131 F 4.6342 7.3352 115.8093 57.1626 38.9987 177.9434 132 R 3.8870 7.8844 118.8920 59.0214 29.1477 176.8681 133 D 4.5313 7.9980 115.4564 53.6796 41.0919 175.6626 134 G 3.8267 8.2931 104.2806 44.7108 0.0000 173.1175 135 V 3.9895 7.4086 117.8787 61.3487 32.7035 174.3848 136 N 4.2252 7.4160 121.2772 50.4529 39.9780 174.8809 137 W 4.6304 8.9597 117.0740 59.8926 29.0546 178.8871 138 G 3.9497 8.5894 105.3757 47.2799 0.0000 175.4600 139 A 3.9518 8.0052 122.6483 54.6734 18.5163 179.4624 140 I 4.0076 7.8931 118.5746 64.7344 37.0670 178.7737 141 V 3.6701 7.8625 119.0049 65.6376 31.3864 177.8363 142 A 3.0184 7.7819 120.5986 54.7959 18.2495 179.0965 143 F 3.9234 8.3292 119.3616 61.6387 39.3310 177.2416 144 F 3.4890 8.1754 117.0162 60.6340 38.6669 177.8811 145 S 4.5215 8.2405 114.8242 61.5490 62.6099 176.6281 146 F 3.6910 8.1050 123.4742 60.9335 38.9936 177.1944 147 G 3.5549 7.6576 105.2233 47.8070 0.0000 175.4057 148 G 3.9276 8.5333 108.9122 47.7407 0.0000 175.5219 149 A 4.0905 8.2087 123.1702 54.4645 18.4005 179.7962 150 L 3.7826 7.7395 117.8054 58.1438 41.6405 178.8997 151 C 3.7156 7.9768 116.5820 62.9349 28.0608 176.0718 152 V 3.4191 8.0025 119.3767 66.4064 31.1591 177.7441 153 E 3.8831 8.1085 118.5350 59.4581 29.4167 179.0732 154 S 3.9544 7.9480 115.0236 61.4604 62.8016 176.5165 155 V 3.1859 7.5300 120.7942 66.1722 30.9042 177.5922 156 D 4.3904 6.9313 116.7016 57.1651 41.2899 178.3363 157 K 4.3145 7.3679 115.7310 55.6083 32.3232 176.4623 158 E 3.7031 8.6144 117.5869 58.2886 27.6574 174.5881 159 M 4.7414 8.0060 113.4257 54.0819 32.9164 177.5397 160 Q 3.7201 7.7428 120.5969 58.7372 29.1922 177.1091 161 V 3.4993 7.6842 119.9738 65.0319 31.0689 178.1769 162 L 3.8216 7.8620 119.4667 57.0110 41.3148 179.4516 163 V 3.0884 7.1616 118.4852 65.8474 31.4203 177.9795 164 S 4.2043 7.3976 112.1211 60.0473 63.2218 176.4424 165 R 3.2736 6.8761 122.6836 59.0368 29.7115 178.5081 166 I 2.9245 6.9435 119.6160 64.1903 37.0758 178.1513 167 A 4.0325 7.6850 121.4265 55.3408 18.1810 179.9083 168 S 4.1754 7.8585 112.5788 61.1055 63.1064 176.5296 169 W 4.6140 8.1999 122.9543 60.1294 28.6864 178.2732 170 M 4.5985 8.6104 118.5434 58.5387 31.4351 178.6626 171 A 4.1601 8.2889 120.8156 55.5130 18.5758 179.5963 172 T 3.8040 8.2720 114.4119 67.0354 68.0549 175.8550 173 Y 4.1162 9.1275 121.5296 60.7916 38.8316 177.8934 174 L 3.9569 8.5855 121.3471 58.4397 42.0154 178.7304 175 N 4.3519 8.0365 114.7368 56.4599 38.5634 176.9430 176 D 4.3639 8.5236 119.3534 57.1158 41.0870 177.6428 177 H 4.3968 8.2939 114.7109 56.4767 30.1082 176.3221 178 L 4.2183 7.2589 119.2402 55.9325 42.6517 178.1864 179 E 3.9958 8.6415 119.0387 59.2692 29.4980 177.7467 180 P 4.1959 0.0000 0.0000 65.2487 31.4142 178.2003 181 W 3.9925 8.1341 126.5880 60.6503 30.4316 177.8086 182 I 3.4355 7.8531 119.4413 64.4681 36.2918 178.5092 183 Q 3.9752 8.1251 118.3131 58.8072 28.6332 178.2512 184 E 4.0959 7.6923 116.8714 58.2905 29.8637 177.3803 185 N 4.5003 7.5221 116.8196 52.9827 39.1986 175.6320 186 G 3.9097 7.4896 106.8415 45.7236 0.0000 175.4577 187 G 4.0394 8.4171 110.5903 44.3566 0.0000 174.9721 188 W 4.2707 8.6563 117.1107 59.4291 28.9168 178.2119 189 D 4.4453 8.3137 118.1723 57.6896 40.2637 178.1910 190 T 4.1768 7.7936 117.8118 65.8019 68.3216 176.4799 191 F 3.2344 7.5377 122.2734 60.7691 39.2547 177.0581 192 V 3.3562 7.7764 117.8060 66.1998 30.8704 177.5027 193 D 4.2562 7.8195 118.0870 57.4490 40.3896 179.1739 194 L 3.8450 7.5453 118.1881 57.5695 42.2059 178.3066 195 Y 4.5110 7.7572 114.5275 57.5410 38.6625 176.3276 196 G 3.6829 8.3657 114.6662 45.7132 0.0000 173.4933 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 2 S 8.19 4.45 0.00 3.93 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 3 Q 8.67 3.89 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.84 4.32 0.00 4.09 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 5 N 8.24 4.47 0.00 3.05 3.14 0.00 0.00 6.80 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 6 R 7.98 3.94 0.00 2.08 2.14 0.00 3.09 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 7 E 8.24 3.88 0.00 2.19 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 2.31 0.00 8 L 8.15 3.93 0.00 1.91 1.47 0.23 0.67 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 9 V 8.07 4.03 2.40 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 1.25 0.00 0.00 1.19 0.00 0.00 10 V 7.93 3.69 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 0.39 0.00 0.00 0.87 0.00 0.00 11 D 8.26 4.34 0.00 2.81 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 12 F 8.23 4.25 0.00 3.22 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 13 L 8.68 4.15 0.00 2.29 1.88 1.02 1.34 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 14 S 8.87 4.43 0.00 3.92 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 15 Y 8.00 4.21 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.90 3.72 0.00 1.83 1.74 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.94 0.98 7.81 17 L 8.07 4.09 0.00 1.92 1.79 0.86 0.51 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 18 S 8.61 4.39 0.00 3.86 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 19 Q 7.40 3.43 0.00 1.57 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 20 K 7.58 4.17 0.00 1.82 1.76 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.61 7.81 21 G 8.99 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 22 Y 7.66 4.84 0.00 3.09 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 23 S 8.18 5.07 0.00 3.99 3.94 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 24 W 9.12 4.01 0.00 3.47 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 25 S 8.37 4.84 0.00 4.00 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 26 Q 8.21 3.93 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 27 F 7.67 5.10 0.00 3.08 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 28 S 7.74 4.66 0.00 4.09 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 29 D 7.70 4.66 0.00 2.66 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 *73 S 8.12 4.27 0.00 4.00 3.91 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 74 S 8.44 4.19 0.00 3.89 3.86 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 75 L 8.30 4.16 0.00 1.72 1.54 0.92 1.25 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 76 D 8.83 4.49 0.00 2.71 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 77 A 7.38 4.53 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 78 R 7.96 4.15 0.00 1.92 1.89 0.00 3.45 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 79 E 7.67 5.98 0.00 2.05 1.95 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 2.07 2.15 0.00 80 V 7.55 4.23 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 0.79 0.00 0.00 0.95 0.00 0.00 81 I 7.88 4.07 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.93 0.00 0.00 82 P 0.00 4.81 0.00 2.21 1.94 0.00 3.68 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 2.06 2.07 0.00 83 M 8.63 3.93 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.80 0.00 84 A 7.97 4.01 1.30 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 0.00 0.00 85 A 7.82 4.00 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 86 V 7.53 3.60 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 0.38 0.00 0.00 0.97 0.00 0.00 87 K 8.22 3.73 0.00 1.87 1.76 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 88 Q 7.83 3.81 0.00 2.07 2.06 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 2.33 2.51 0.00 89 A 7.94 4.05 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 90 L 8.53 4.08 0.00 1.69 1.73 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.06 3.98 0.00 1.94 1.43 0.00 2.83 0.00 0.00 2.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.53 0.00 92 E 8.32 4.03 0.00 2.25 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 0.00 2.38 2.43 0.00 93 A 8.70 4.37 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 94 G 8.93 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 95 D 8.57 4.58 0.00 3.08 2.88 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 96 E 8.73 4.06 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 97 F 8.76 4.10 0.00 3.47 3.52 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 98 E 8.56 4.16 0.00 2.33 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 2.43 2.50 0.00 99 L 8.08 4.12 0.00 1.83 1.71 0.97 0.78 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 0.00 100 R 7.68 4.04 0.00 1.53 1.64 0.00 2.94 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 101 Y 7.01 4.28 0.00 2.41 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 0.00 102 R 8.06 3.89 0.00 1.77 1.99 0.00 3.18 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 103 R 7.93 4.08 0.00 1.83 1.89 0.00 3.19 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 104 A 7.58 3.60 0.30 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 0.00 0.00 105 F 8.79 4.51 0.00 3.43 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.48 0.00 3.86 3.99 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 0.00 107 D 8.03 4.35 0.00 2.76 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 0.00 108 L 7.82 3.96 0.00 1.72 1.34 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 T 9.49 4.17 4.41 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 0.00 0.00 1.62 0.00 0.00 110 S 7.93 4.24 0.00 3.97 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 0.00 111 Q 8.04 4.11 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 112 L 8.23 4.04 0.00 1.99 1.78 1.13 1.45 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 0.00 113 H 8.62 3.98 0.00 3.33 3.29 0.00 5.81 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.36 3.88 1.94 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 1.57 1.18 0.88 0.00 0.00 115 T 9.03 4.73 4.23 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 1.22 0.00 0.00 116 P 0.00 4.36 0.00 2.05 2.14 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 117 G 8.29 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 0.00 0.00 0.00 118 T 7.90 4.02 4.58 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 0.00 0.00 1.15 0.00 0.00 119 A 8.18 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.42 2.77 0.00 2.73 2.87 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 0.00 121 Q 8.06 3.75 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 122 S 7.37 4.01 0.00 3.85 3.85 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 0.00 123 F 7.55 4.08 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.11 3.84 0.00 1.17 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 0.00 2.33 2.46 0.00 125 Q 7.78 3.82 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 126 V 7.53 3.58 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 127 V 7.53 3.13 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 0.13 0.00 0.00 0.04 0.00 0.00 128 N 8.13 4.50 0.00 2.99 2.88 0.00 0.00 6.72 7.18 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 0.00 129 E 7.83 3.90 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 2.43 2.41 0.00 130 L 7.08 3.70 0.00 1.08 0.88 0.42 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.34 4.63 0.00 2.98 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 0.00 132 R 7.88 3.89 0.00 1.87 2.08 0.00 3.01 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 133 D 8.00 4.53 0.00 2.62 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 0.00 134 G 8.29 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 0.00 135 V 7.41 3.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 0.38 0.00 0.00 136 N 7.42 4.23 0.00 2.95 2.87 0.00 0.00 6.22 8.88 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 0.00 137 W 8.96 4.63 0.00 3.92 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 0.00 138 G 8.59 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 0.00 139 A 8.01 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.89 4.01 2.22 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 1.40 0.00 0.00 141 V 7.86 3.67 2.33 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 1.20 0.00 0.00 0.95 0.00 0.00 142 A 7.78 3.02 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 0.00 143 F 8.33 3.92 0.00 2.95 3.40 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 0.00 144 F 8.18 3.49 0.00 2.71 1.60 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 0.00 145 S 8.24 4.52 0.00 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 0.00 146 F 8.10 3.69 0.00 1.86 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 0.00 147 G 7.66 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 0.00 0.00 0.00 148 G 8.53 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 0.00 149 A 8.21 4.09 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.74 3.78 0.00 1.70 1.48 0.55 0.04 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 0.00 151 C 7.98 3.72 0.00 3.04 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 0.00 152 V 8.00 3.42 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 1.12 0.00 0.00 1.02 0.00 0.00 153 E 8.11 3.88 0.00 2.08 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 2.26 2.33 0.00 154 S 7.95 3.95 0.00 3.86 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 0.00 155 V 7.53 3.19 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 0.00 0.00 0.29 0.00 0.00 0.63 0.00 0.00 156 D 6.93 4.39 0.00 2.78 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 0.00 157 K 7.37 4.31 0.00 1.90 1.75 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.54 7.81 158 E 8.61 3.70 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 159 M 8.01 4.74 0.00 1.86 1.94 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 2.42 2.36 0.00 160 Q 7.74 3.72 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 161 V 7.68 3.50 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 0.74 0.00 0.00 0.84 0.00 0.00 162 L 7.86 3.82 0.00 1.59 1.49 0.84 0.95 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 0.00 163 V 7.16 3.09 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 -0.46 0.00 0.00 0.52 0.00 0.00 164 S 7.40 4.20 0.00 4.37 3.91 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 0.00 165 R 6.88 3.27 0.00 1.18 0.66 0.00 2.94 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 166 I 6.94 2.92 1.61 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 -0.09 0.71 0.00 0.00 167 A 7.69 4.03 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 0.00 0.00 0.00 0.00 0.00 168 S 7.86 4.18 0.00 4.12 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 0.00 169 W 8.20 4.61 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 M 8.61 4.60 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.47 0.00 171 A 8.29 4.16 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.27 3.80 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 0.78 0.00 0.00 173 Y 9.13 4.12 0.00 3.69 3.46 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 0.00 0.00 0.00 0.00 174 L 8.59 3.96 0.00 2.25 2.00 1.23 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.04 4.35 0.00 2.86 2.89 0.00 0.00 7.17 7.81 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 0.00 176 D 8.52 4.36 0.00 2.46 2.44 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 0.00 0.00 0.00 0.00 177 H 8.29 4.40 0.00 2.23 2.75 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.26 4.22 0.00 1.67 1.47 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.64 4.00 0.00 2.20 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 0.00 2.46 2.61 0.00 180 P 0.00 4.20 0.00 2.12 2.07 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 181 W 8.13 3.99 0.00 3.18 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 0.00 182 I 7.85 3.44 1.93 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 1.10 0.47 0.71 0.00 0.00 183 Q 8.13 3.98 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 184 E 7.69 4.10 0.00 1.99 1.95 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 2.11 2.02 0.00 185 N 7.52 4.50 0.00 1.44 1.92 0.00 0.00 7.28 7.43 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 0.00 186 G 7.49 3.91 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 0.00 0.00 0.00 187 G 8.42 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 0.00 188 W 8.66 4.27 0.00 3.53 3.29 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 0.00 189 D 8.31 4.45 0.00 2.88 2.73 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 0.00 190 T 7.79 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 1.33 0.00 0.00 191 F 7.54 3.23 0.00 1.51 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.36 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 0.95 0.00 0.00 1.12 0.00 0.00 193 D 7.82 4.26 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.55 3.84 0.00 1.62 1.42 1.06 0.83 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 0.00 195 Y 7.76 4.51 0.00 2.06 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 0.00 196 G 8.37 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.