NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.3847 8.2033 119.6402 55.7943 31.9743 177.6170 0 L 4.5327 9.1342 122.8523 53.8178 43.2197 171.2863 1 V 3.7613 9.1048 123.8265 63.6333 31.8407 175.5565 2 K 4.4249 8.9658 127.2299 56.6962 34.3257 175.9886 3 K 4.9993 8.0654 121.4115 54.4278 35.1260 174.8111 4 V 4.9263 8.7722 127.3455 61.0443 34.6678 173.6270 5 L 5.0086 8.9285 130.4235 53.5056 43.9997 174.7419 6 L 4.9537 9.0403 129.7170 54.6072 43.3359 175.0881 7 I 5.1566 8.9885 128.0848 59.7125 39.9620 174.4100 8 N 5.3892 9.2736 124.3182 51.6882 41.3771 175.1990 9 G 4.2280 8.9352 114.9749 44.3027 0.0000 171.5576 10 P 4.5778 0.0000 0.0000 63.9685 32.1947 176.9123 11 N 4.6765 9.5786 117.9926 53.9124 38.2139 176.7197 12 L 4.0806 7.6729 117.6676 56.8817 41.7515 178.6414 13 N 4.3842 8.1147 115.1439 54.8223 37.3215 175.4452 14 L 4.3915 7.9504 118.8520 54.6391 42.5740 176.3400 15 L 4.4071 7.6637 121.2409 55.2745 41.1333 176.4486 16 G 4.0674 7.6872 112.7468 44.2278 0.0000 172.6452 17 T 4.2724 8.8186 120.9358 63.7665 69.4880 175.5308 18 R 4.2406 7.8285 119.9669 57.9748 31.6596 176.2283 *23 Y 4.4490 7.7747 115.1257 56.8009 40.1425 174.1094 24 G 4.0802 7.5489 106.7276 43.1886 0.0000 175.2713 25 T 3.9957 8.1755 106.2198 62.2154 67.9567 174.4068 26 T 4.1947 8.6152 121.2020 63.7889 68.2453 174.8679 27 S 5.1096 8.6493 124.0499 56.3958 65.9260 174.8920 28 L 3.8607 8.2039 123.1566 58.3099 41.7713 178.8384 29 S 4.0476 7.9445 112.6694 61.2304 62.3627 175.4128 30 D 4.3609 8.1077 121.7577 57.5869 40.5707 179.0843 31 I 3.5668 7.3483 119.9703 64.3849 37.0243 178.3982 32 E 3.8667 7.9232 119.2059 59.4876 29.3044 179.2657 33 Q 3.9561 8.4450 118.2544 58.9587 28.7963 179.1086 34 A 3.9136 7.9745 121.2491 55.0655 18.6109 179.2012 35 A 3.9124 8.0197 119.3281 55.5824 18.5270 179.5607 36 I 3.6487 7.8499 118.0465 64.8176 37.2693 178.3117 37 E 3.9333 8.6284 119.3189 59.5149 29.2235 178.8648 38 Q 3.9108 8.5637 119.6099 59.4981 29.0170 178.9581 39 A 3.9366 7.9185 120.5834 55.2276 18.5514 179.3658 40 K 3.7900 7.8905 116.6592 59.9743 32.0244 179.1124 41 L 4.0821 7.8121 118.3944 57.4185 42.0759 178.4110 42 K 4.0472 8.5038 117.1885 57.0456 33.2869 176.5673 43 N 4.1569 7.9717 115.8249 53.6025 37.1134 173.9162 44 N 4.5540 7.8908 112.3133 52.4856 38.5826 174.7080 45 D 4.2776 8.3218 113.6787 56.5959 38.8798 172.2480 46 S 5.0453 7.5818 113.8178 57.3317 66.5734 174.7339 47 E 4.7074 8.8386 120.5269 55.1859 33.3702 173.6691 48 V 4.8806 8.4154 126.0694 61.3128 33.3123 174.6067 49 L 4.7302 8.9294 128.3858 53.6098 43.7026 175.9231 50 V 4.9935 8.3446 115.3071 59.7871 34.2608 174.8589 51 F 4.9765 9.3674 125.6747 57.0636 43.3874 172.8913 52 Q 5.3236 6.8771 123.3696 55.3004 31.8256 173.1727 53 S 4.6464 8.3984 119.1604 57.4279 65.5400 173.0241 54 N 4.6705 8.9126 119.0957 54.0041 39.5245 175.5516 55 T 4.2263 7.7863 115.9854 62.2229 69.2140 174.3304 56 E 3.6724 8.8910 127.8874 59.5132 29.3758 178.7708 57 G 3.9442 7.8712 104.6798 48.3493 0.0000 175.2874 58 F 4.9754 7.8184 119.9591 60.1573 38.9065 177.8951 59 I 3.9745 8.0235 119.7734 63.9560 36.9766 178.4243 60 I 3.5781 7.6148 120.3044 64.5125 37.0683 177.7176 61 D 4.2485 8.5624 119.9928 57.6171 40.7444 179.2201 62 R 3.6457 7.5210 118.3799 59.1014 29.8779 178.4861 63 I 3.6306 7.6082 119.6538 64.6078 36.9398 177.9740 64 H 4.1468 8.1898 116.9599 59.0648 28.6497 177.3262 65 E 3.8913 8.2723 120.6429 59.2383 29.1997 178.8874 66 A 4.2619 7.7045 121.8584 54.5110 18.4635 178.9358 67 K 3.7213 7.8028 117.7318 60.1745 31.9557 178.7155 68 R 4.0270 7.5780 117.6654 59.4344 30.2912 178.0420 69 Q 4.3917 8.0486 115.3777 55.1823 28.7279 176.7806 70 G 3.8700 8.2651 108.4811 46.0967 0.0000 174.1368 71 V 3.6606 8.0990 120.3386 62.9163 31.6679 176.0154 72 G 4.1548 8.3921 113.3720 46.4499 0.0000 173.1201 73 F 4.9306 7.9263 121.6499 56.9540 43.0962 172.5973 74 V 4.9805 8.4877 125.0678 61.1477 34.4730 174.2243 75 V 4.9537 8.8580 127.2439 61.2572 33.8318 173.9509 76 I 5.0112 9.1990 128.6355 59.2811 41.3002 173.4620 77 N 5.4978 9.5134 128.3253 51.2245 40.0069 174.5814 78 A 4.3791 8.7777 128.5030 51.8300 20.4051 178.6803 79 G 3.7719 8.1804 106.2937 46.0289 0.0000 176.9281 80 A 4.1106 8.3953 123.9661 55.1327 18.6625 179.3647 81 Y 4.5980 7.6804 113.4673 61.1280 37.7431 178.3929 82 T 3.9481 7.9245 117.3137 66.7217 68.3805 174.7740 83 H 4.9953 8.2738 114.8389 55.9632 29.6329 175.4455 84 T 4.8239 7.9559 108.0634 60.9089 70.1607 174.4037 85 S 4.6039 8.1651 118.1267 54.9614 61.3288 173.7238 86 V 3.2839 7.4735 124.5600 65.5955 31.2403 177.3308 87 G 3.4491 7.7452 104.6465 47.7449 0.0000 175.4975 88 I 3.6355 7.6980 122.4704 64.0225 37.0199 178.5212 89 R 3.7580 7.5315 118.0752 59.6636 29.9419 178.4588 90 D 4.4163 8.2317 118.2218 56.9197 40.7262 178.6684 91 A 3.9999 7.9174 121.7946 54.9507 18.4757 179.7386 92 L 3.8354 7.7861 117.5156 57.8580 41.4862 179.4744 93 L 4.1361 8.0918 118.2135 58.0296 41.6920 179.7042 94 G 3.7287 8.1535 104.4569 46.9492 0.0000 174.9861 95 T 4.2126 7.9174 109.4799 60.5944 69.9096 174.2205 96 A 3.7494 7.5487 123.3882 53.3696 16.5973 177.1723 97 I 4.4633 7.6164 120.8206 60.0048 38.7954 175.4675 98 P 4.4153 0.0000 0.0000 62.9614 32.6740 175.1009 99 F 5.6458 7.4214 114.2157 55.5351 41.7590 172.6458 100 I 4.8568 8.6014 120.3202 59.5348 39.9696 174.3185 101 E 4.7589 8.9185 128.1920 55.8206 30.9963 175.2789 102 V 4.5505 9.0804 126.6368 61.2885 35.1045 173.7255 103 H 4.9852 8.7052 123.8614 54.0717 31.2493 174.0570 104 I 3.9438 8.7883 125.1665 64.3266 37.7727 176.4620 105 T 4.4683 7.7253 108.9464 59.5284 70.9735 173.9203 106 N 4.5324 8.3598 120.8755 52.5501 38.1663 175.7034 107 V 3.5225 8.1754 126.9295 64.7891 31.5344 178.2273 108 H 3.9751 7.8067 116.0293 57.8995 28.6555 176.0432 109 Q 4.1745 7.9615 117.2328 56.8806 29.0014 175.6020 110 R 4.6363 7.3882 117.5181 53.9145 32.9283 174.9797 111 E 3.7488 8.4581 116.8543 57.3315 29.9581 176.5660 112 P 3.6872 0.0000 0.0000 65.6400 31.1091 178.4434 113 F 4.3607 7.8200 112.4305 59.2060 37.6272 176.5432 114 R 3.6686 7.2142 117.0157 56.7776 30.1615 177.0395 115 H 4.3804 7.7402 116.8889 58.4890 29.0403 176.3280 116 Q 4.2085 7.4306 117.9383 55.5294 29.1634 175.4241 117 S 4.8220 8.1337 115.4636 56.8859 65.4307 173.2351 118 Y 4.5457 9.0845 123.5757 58.7648 38.3928 176.3250 119 L 4.6466 8.4862 121.3195 56.7808 42.6231 178.8069 120 S 4.4189 8.6677 114.0600 60.9702 62.7365 176.0234 121 D 4.5664 8.1149 116.2856 54.5626 39.5243 176.5470 122 K 4.3924 8.2160 118.0504 56.0229 33.5802 176.3309 123 A 2.7481 7.1873 121.3208 51.1189 18.9884 177.8885 124 V 3.7510 8.0607 120.7743 65.7338 32.1740 175.8871 125 A 4.5938 7.4410 119.5039 50.5702 23.2113 175.0797 126 V 4.6514 8.0384 117.9070 61.3743 34.1791 174.6674 127 I 4.4273 8.1653 129.6582 60.2713 38.8294 175.1793 128 C 5.5919 8.1732 121.4395 58.6717 31.9155 173.7721 129 G 4.1350 9.1105 112.3730 45.4526 0.0000 173.0954 130 L 4.6103 8.0055 119.1187 53.5628 43.1967 178.3430 131 G 3.8953 7.9114 106.5100 45.5247 0.0000 176.7510 132 V 3.9550 8.4124 118.6186 65.6963 32.1138 177.6761 133 Y 4.4566 8.4679 120.3745 60.2177 38.4673 177.9818 134 G 3.8069 7.8842 106.8759 48.1320 0.0000 175.0822 135 Y 4.1455 7.6160 119.6525 61.0053 37.8602 179.0918 136 T 4.3394 8.1838 117.1059 66.0519 68.4790 176.4461 137 A 3.7672 7.7960 122.5635 54.9463 18.3507 179.5783 138 A 3.8918 7.9925 119.3456 55.3545 18.3681 179.9638 139 I 3.7040 8.1122 118.6586 64.3387 36.8903 178.5462 140 E 3.9020 8.1064 118.9141 59.4802 29.6294 178.2867 141 Y 3.9814 8.2155 119.5306 60.6687 38.9691 178.0031 142 A 2.7891 8.1142 121.8337 54.8861 18.2043 179.4549 143 L 4.0834 7.8409 115.2240 56.6908 41.7278 178.1936 144 N 4.7114 7.4515 114.7844 52.1960 40.0683 174.3858 145 Y 4.0043 7.1023 123.0675 57.5868 40.0980 174.9636 146 Q 4.4125 8.0291 128.1715 55.6458 29.8116 175.5718 147 L 4.4117 9.0074 126.3417 55.1534 41.2636 177.1196 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 -1 Q 8.20 4.38 0.00 1.99 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 0 L 9.13 4.53 0.00 1.61 1.59 0.89 0.54 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 1 V 9.10 3.76 2.37 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 0.86 0.00 0.00 1.32 0.00 0.00 2 K 8.97 4.42 0.00 1.74 1.99 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.38 7.81 3 K 8.07 5.00 0.00 1.82 1.66 0.00 1.68 0.00 0.00 1.97 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.43 7.81 4 V 8.77 4.93 2.13 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 1.08 0.00 0.00 0.95 0.00 0.00 5 L 8.93 5.01 0.00 1.84 1.56 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.04 4.95 0.00 1.87 1.59 1.19 0.71 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 7 I 8.99 5.16 1.97 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 1.34 0.59 1.12 0.00 0.00 8 N 9.27 5.39 0.00 2.68 2.72 0.00 0.00 6.56 8.23 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 9 G 8.94 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 0.00 0.00 0.00 0.00 10 P 0.00 4.58 0.00 1.99 2.17 0.00 3.65 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 11 N 9.58 4.68 0.00 2.90 3.06 0.00 0.00 7.12 6.28 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 12 L 7.67 4.08 0.00 1.87 1.74 1.05 0.66 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 13 N 8.11 4.38 0.00 2.79 3.10 0.00 0.00 6.04 7.79 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 14 L 7.95 4.39 0.00 1.89 1.72 0.92 0.35 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 15 L 7.66 4.41 0.00 1.79 1.80 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.69 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.82 4.27 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 1.19 0.00 0.00 18 R 7.83 4.24 0.00 1.76 1.96 0.00 3.33 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 *23 Y 7.77 4.45 0.00 3.09 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 24 G 7.55 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.18 4.00 4.19 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 1.13 0.00 0.00 26 T 8.62 4.19 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 27 S 8.65 5.11 0.00 4.03 3.96 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 28 L 8.20 3.86 0.00 1.95 1.66 0.87 0.61 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 29 S 7.94 4.05 0.00 3.89 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 30 D 8.11 4.36 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 31 I 7.35 3.57 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.09 0.00 0.00 32 E 7.92 3.87 0.00 2.00 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 2.26 2.53 0.00 33 Q 8.44 3.96 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 34 A 7.97 3.91 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 0.00 0.00 0.00 0.00 0.00 35 A 8.02 3.91 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 36 I 7.85 3.65 2.03 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 1.70 1.18 0.92 0.00 0.00 37 E 8.63 3.93 0.00 2.19 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 2.34 2.37 0.00 38 Q 8.56 3.91 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 39 A 7.92 3.94 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 40 K 7.89 3.79 0.00 2.02 1.92 0.00 1.87 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 41 L 7.81 4.08 0.00 1.82 1.82 0.93 0.61 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 42 K 8.50 4.05 0.00 1.84 1.85 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.74 1.59 7.81 43 N 7.97 4.16 0.00 2.75 2.87 0.00 0.00 6.95 7.30 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 44 N 7.89 4.55 0.00 2.80 2.81 0.00 0.00 6.31 8.06 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 45 D 8.32 4.28 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.58 5.05 0.00 3.78 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 47 E 8.84 4.71 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 48 V 8.42 4.88 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 0.90 0.00 0.00 0.96 0.00 0.00 49 L 8.93 4.73 0.00 1.67 1.59 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.34 4.99 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 9.37 4.98 0.00 3.08 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 52 Q 6.88 5.32 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.08 0.00 53 S 8.40 4.65 0.00 4.03 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 54 N 8.91 4.67 0.00 2.78 2.87 0.00 0.00 6.92 7.54 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 55 T 7.79 4.23 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 0.35 0.00 0.00 56 E 8.89 3.67 0.00 1.25 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 2.03 1.54 0.00 57 G 7.87 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 0.00 0.00 0.00 58 F 7.82 4.98 0.00 3.24 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 59 I 8.02 3.97 2.07 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 1.97 1.41 1.00 0.00 0.00 60 I 7.61 3.58 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 0.74 0.00 0.00 61 D 8.56 4.25 0.00 2.80 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 62 R 7.52 3.65 0.00 1.01 1.44 0.00 2.77 0.00 0.00 2.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 63 I 7.61 3.63 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.86 0.00 0.00 64 H 8.19 4.15 0.00 3.30 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.27 3.89 0.00 2.01 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 2.26 2.35 0.00 66 A 7.70 4.26 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.80 3.72 0.00 1.84 1.97 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 68 R 7.58 4.03 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 69 Q 8.05 4.39 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.97 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 70 G 8.27 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.10 3.66 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 0.87 0.00 0.00 0.95 0.00 0.00 72 G 8.39 4.15 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 0.00 73 F 7.93 4.93 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.49 4.98 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 0.97 0.00 0.00 0.94 0.00 0.00 75 V 8.86 4.95 2.24 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 1.12 0.00 0.00 1.06 0.00 0.00 76 I 9.20 5.01 1.90 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 1.15 1.55 0.99 0.00 0.00 77 N 9.51 5.50 0.00 2.86 2.86 0.00 0.00 6.96 7.53 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 78 A 8.78 4.38 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 79 G 8.18 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.40 4.11 1.24 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 0.00 0.00 81 Y 7.68 4.60 0.00 3.19 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 82 T 7.92 3.95 4.08 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 0.00 0.00 1.19 0.00 0.00 83 H 8.27 5.00 0.00 3.30 3.46 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.96 4.82 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 1.35 0.00 0.00 85 S 8.17 4.60 0.00 3.75 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 86 V 7.47 3.28 1.76 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 0.78 0.00 0.00 -0.10 0.00 0.00 87 G 7.75 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.70 3.64 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.83 0.00 0.00 89 R 7.53 3.76 0.00 2.11 2.06 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 90 D 8.23 4.42 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 91 A 7.92 4.00 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 92 L 7.79 3.84 0.00 1.54 1.47 -0.11 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.09 4.14 0.00 1.59 1.77 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.15 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.92 4.21 4.22 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 1.21 0.00 0.00 96 A 7.55 3.75 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 97 I 7.62 4.46 1.84 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 1.40 0.62 0.87 0.00 0.00 98 P 0.00 4.42 0.00 1.07 1.93 0.00 3.61 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 1.68 1.95 0.00 99 F 7.42 5.65 0.00 3.09 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 0.00 100 I 8.60 4.86 2.02 0.00 0.00 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 1.12 0.91 0.88 0.00 0.00 101 E 8.92 4.76 0.00 2.16 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 102 V 9.08 4.55 1.71 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 0.22 0.00 0.00 0.74 0.00 0.00 103 H 8.71 4.99 0.00 3.05 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.79 3.94 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.99 0.00 0.00 105 T 7.73 4.47 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 106 N 8.36 4.53 0.00 2.78 2.76 0.00 0.00 6.62 7.71 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 0.00 107 V 8.18 3.52 1.82 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 0.38 0.00 0.00 0.80 0.00 0.00 108 H 7.81 3.98 0.00 3.11 3.27 0.00 5.69 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 0.00 109 Q 7.96 4.17 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 110 R 7.39 4.64 0.00 1.77 1.71 0.00 3.15 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 111 E 8.46 3.75 0.00 1.16 1.64 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 2.44 2.34 0.00 112 P 0.00 3.69 0.00 2.09 2.02 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 113 F 7.82 4.36 0.00 3.27 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 R 7.21 3.67 0.00 1.48 1.71 0.00 2.96 0.00 0.00 3.13 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.82 0.00 115 H 7.74 4.38 0.00 3.21 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.43 4.21 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 117 S 8.13 4.82 0.00 3.81 3.70 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 0.00 118 Y 9.08 4.55 0.00 3.10 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 0.00 119 L 8.49 4.65 0.00 1.84 2.08 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.67 4.42 0.00 3.91 3.96 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 0.00 121 D 8.11 4.57 0.00 2.80 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 0.00 122 K 8.22 4.39 0.00 1.96 1.99 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.60 7.81 123 A 7.19 2.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.06 3.75 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 0.87 0.00 0.00 0.78 0.00 0.00 125 A 7.44 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.04 4.65 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 0.97 0.00 0.00 0.95 0.00 0.00 127 I 8.17 4.43 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.82 0.00 0.00 128 C 8.17 5.59 0.00 2.97 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 0.00 129 G 9.11 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 0.00 0.00 0.00 130 L 8.01 4.61 0.00 1.59 1.65 1.00 1.09 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 0.00 131 G 7.91 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 0.00 132 V 8.41 3.96 2.20 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 1.07 0.00 0.00 1.07 0.00 0.00 133 Y 8.47 4.46 0.00 3.10 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 0.00 134 G 7.88 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 0.00 135 Y 7.62 4.15 0.00 3.05 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 0.00 136 T 8.18 4.34 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 1.34 0.00 0.00 137 A 7.80 3.77 0.94 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 0.00 0.00 138 A 7.99 3.89 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 0.00 139 I 8.11 3.70 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.95 0.00 0.00 140 E 8.11 3.90 0.00 2.07 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 2.49 2.49 0.00 141 Y 8.22 3.98 0.00 2.97 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 0.00 142 A 8.11 2.79 0.69 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 0.00 0.00 143 L 7.84 4.08 0.00 1.57 1.71 0.91 1.10 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 0.00 144 N 7.45 4.71 0.00 2.54 2.69 0.00 0.00 6.89 7.56 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 0.00 145 Y 7.10 4.00 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 0.00 146 Q 8.03 4.41 0.00 1.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.84 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 147 L 9.01 4.41 0.00 1.77 1.62 1.03 0.99 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 * Residues marked with a * may have inaccurate shift predictions.