NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6194 8.1400 114.6937 58.4195 64.7242 175.4346 3 Q 3.9144 7.9468 120.2179 58.2278 29.0567 176.1649 4 S 4.0566 8.7008 116.9358 61.8344 63.3700 175.7480 5 N 4.2726 8.1925 118.5916 56.2955 38.2401 177.2859 6 R 3.9002 7.6294 119.2137 59.4367 30.1670 178.2505 7 E 3.8677 8.0684 118.8712 58.9720 29.6106 178.5333 8 L 3.7617 8.0582 120.7744 57.9930 42.0760 179.0361 9 V 3.9133 8.1202 118.4698 66.2262 31.4720 178.0411 10 V 2.9748 7.7830 117.8917 65.8105 31.1734 177.4361 11 D 4.1729 8.1270 117.7570 57.2504 41.0617 178.0214 12 F 3.9851 8.2807 121.1071 61.2966 39.4066 177.1080 13 L 4.1478 8.4386 118.9387 57.9771 41.3616 179.7045 14 S 4.4308 8.4389 115.5865 61.6436 62.6588 175.9577 15 Y 3.9541 8.1538 122.4216 60.6508 38.6773 178.0758 16 K 3.6447 7.9673 120.3598 59.4803 32.2590 178.6991 17 L 4.1885 8.1752 119.1875 57.8001 41.5489 179.3396 18 S 4.4894 8.4048 113.2300 61.7295 62.1526 175.7129 19 Q 3.8122 7.8054 121.0393 58.9783 28.6580 177.9203 20 K 4.4368 7.7731 115.9586 55.9870 32.3546 177.4829 21 G 3.7227 8.1729 107.6497 45.4940 0.0000 173.1523 22 Y 4.6328 7.9325 117.1577 55.9420 40.0761 175.2133 23 S 4.0853 8.4002 115.6298 57.6296 63.1664 173.4790 24 W 4.9233 7.0508 120.8552 56.2870 28.7416 176.7690 25 S 4.1141 7.7366 118.0167 62.0003 62.2447 176.1596 26 Q 4.1086 7.7954 115.5680 56.9857 29.0732 176.8457 27 F 4.8367 7.4844 121.3423 58.2184 37.9408 180.1207 *80 V 4.0950 8.0840 117.7211 61.9603 33.0678 174.7277 81 I 4.6973 7.0052 132.9034 59.5171 37.6355 177.8532 82 P 4.4275 0.0000 0.0000 64.0016 30.8043 176.7608 83 M 3.9321 8.1231 117.7650 58.8858 31.9944 177.6403 84 A 3.9467 7.6680 119.9177 55.2546 18.4997 179.5114 85 A 3.9600 7.7973 118.7272 55.0125 18.5018 179.9296 86 V 3.6701 8.4688 117.7428 66.0630 31.5579 178.2188 87 K 3.7223 8.4325 118.5105 59.6280 31.9101 179.0361 88 Q 3.7766 7.9697 119.2575 59.0528 28.9305 177.9967 89 A 3.9685 8.1119 121.8059 55.2185 18.3390 179.3992 90 L 4.1511 8.5439 119.2159 58.2722 42.1012 179.3435 91 R 3.7403 8.1623 118.3217 59.1711 29.8877 179.0346 92 L 4.0467 8.0917 118.4905 57.7077 41.5837 179.3032 93 A 4.3315 8.5800 121.2799 55.3401 18.2795 179.8888 94 G 4.0366 8.6642 104.3356 48.2477 0.0000 175.6111 95 D 4.5625 8.4761 121.4804 57.1875 41.0440 178.4386 96 E 4.0741 8.5847 119.8457 59.2226 29.6081 178.5659 97 F 4.3748 8.7603 120.7298 61.6741 39.4171 177.0441 98 E 4.6906 8.5370 117.5469 58.0796 29.2472 178.9093 99 L 4.1127 7.5567 120.1374 58.1714 42.3287 178.4445 100 R 4.1105 7.7667 116.9224 57.1838 30.3937 175.5671 101 Y 4.3529 8.0916 117.7335 56.2231 39.0833 175.8597 102 R 4.6020 8.2586 120.4955 55.5623 30.5429 177.9320 103 R 3.5117 7.8950 116.1352 57.4375 29.5571 177.1297 104 A 3.7981 7.8064 119.6611 52.8750 16.9679 176.8740 105 F 3.9432 7.6643 113.7502 60.0438 36.6764 177.7793 106 S 4.2484 7.8362 117.8109 62.1815 62.9965 176.2286 107 D 4.6691 8.0145 122.2260 55.9845 39.1320 178.2749 108 L 4.0185 8.0661 120.2473 57.7697 41.6065 179.4816 109 T 4.1382 8.4782 110.1094 64.9163 68.6841 176.8800 110 S 3.8844 8.3405 117.3022 61.1436 62.8562 176.2172 111 Q 4.0656 8.7042 122.5272 58.0944 28.7938 176.9416 112 L 4.3929 7.5400 120.4017 54.9242 43.9938 176.0676 113 H 3.9943 8.9112 108.6267 56.7017 27.1273 172.3828 114 I 4.0286 7.7241 127.3348 61.5803 38.9613 174.9182 115 T 4.8002 8.8697 116.7978 59.0570 71.8760 172.9528 116 P 4.2579 0.0000 0.0000 64.5931 31.2737 177.5695 117 G 3.9932 7.5917 106.0873 45.6602 0.0000 174.5107 118 T 3.9635 8.0540 117.8204 63.7114 69.2876 173.7587 119 A 4.8470 8.2709 127.9494 50.6018 21.2297 177.0917 120 Y 2.6339 8.5521 120.5162 60.5876 38.5635 178.5993 121 Q 3.8359 8.1011 117.7500 59.6768 28.2610 179.2003 122 S 3.9792 7.7238 116.2153 61.0662 62.7991 176.2260 123 F 3.9642 7.4997 122.7812 61.2609 39.1497 176.2796 124 E 3.7611 8.1364 119.3156 59.4939 29.0606 178.6739 125 Q 3.8596 7.7459 118.0740 59.0401 29.3926 178.1881 126 V 3.5500 7.5135 119.2274 65.9937 31.5511 178.1752 127 V 2.9669 7.4503 118.2743 65.8207 31.0686 177.4905 128 N 4.5070 8.0743 117.5025 55.6866 38.0672 176.9208 129 E 3.8536 7.7034 119.2395 59.3856 29.5684 179.0538 130 L 3.8668 7.5832 117.7978 56.0861 41.6725 177.6400 131 F 5.0179 7.7052 118.4577 56.8247 39.6324 177.7837 132 R 3.8768 8.2209 119.8112 58.7092 29.3138 176.8009 133 D 4.6785 8.1689 116.5746 53.6794 41.1313 176.7174 134 G 3.8255 8.1585 107.1261 44.8567 0.0000 173.4920 135 V 3.9076 7.3903 117.8052 61.9587 32.4997 174.9320 136 N 3.4409 7.3936 121.5022 49.8401 41.1689 175.5101 137 W 4.6687 8.5029 120.9376 60.2784 29.2094 179.0313 138 G 3.8390 8.4910 104.9879 47.9428 0.0000 175.8108 139 R 3.8231 9.0349 120.6234 58.8283 30.0038 179.1710 140 I 3.9553 7.7851 119.9116 64.4335 37.0711 178.5393 141 V 3.6650 8.1777 118.9806 66.0003 31.3456 177.9004 142 A 3.1989 7.7473 120.4766 54.6579 18.1389 179.2327 143 F 3.8935 8.2045 119.2573 61.5491 39.4431 177.4639 144 F 3.5028 8.0787 117.1954 60.3821 38.5455 177.6127 145 S 4.5752 8.2950 112.9973 61.4246 62.1518 176.0101 146 F 3.7678 8.5898 123.8612 61.0606 39.0534 177.3150 147 G 3.5178 7.9665 105.4786 47.6224 0.0000 175.8149 148 G 3.7979 8.4950 107.8748 47.6513 0.0000 175.6470 149 A 4.1018 8.2297 123.4974 54.8718 18.3412 179.7034 150 L 3.7799 7.7855 117.5843 58.0359 41.5918 179.6229 151 C 4.0118 8.0662 116.6674 62.5976 28.0133 176.2349 152 V 3.0389 7.6609 119.7869 65.8206 31.2459 177.5457 153 E 3.8791 8.2520 119.1602 59.5123 29.4549 178.9271 154 S 4.0708 8.1520 115.2208 61.5943 62.8394 176.9604 155 V 3.5049 7.7253 120.8852 66.0578 31.0485 177.8718 156 D 4.4855 8.2237 117.7560 56.4376 40.5940 177.8503 157 K 4.3855 7.4433 116.6790 54.9237 32.8478 176.0000 158 E 3.8755 8.2082 117.2829 58.3192 27.5400 174.3674 159 M 4.8473 8.2828 113.5310 54.0187 33.4042 178.1028 160 Q 3.8889 8.1293 118.9158 58.9691 28.4571 177.7196 161 V 3.6056 7.5560 119.8389 64.1771 31.7533 177.4687 162 L 3.9684 8.0718 119.6134 56.4037 41.5063 179.2843 163 V 3.4434 7.2580 113.0952 64.4337 31.5286 178.5949 164 S 4.1786 7.6478 113.2655 61.2057 62.7368 176.4077 165 R 3.4586 7.4156 121.9269 59.0672 29.7776 178.2340 166 I 3.1714 7.8425 119.6769 64.1371 37.0712 178.1355 167 A 4.0356 8.1430 121.3399 55.2286 18.2519 179.5670 168 A 3.9898 7.7744 119.0227 55.1411 18.3785 179.9113 169 W 4.4669 8.2811 117.7315 60.2285 29.0714 178.7043 170 M 4.6412 8.6164 118.8123 58.5813 31.3702 178.6229 171 A 4.2022 8.2790 120.9178 55.5201 18.5543 179.8645 172 T 3.8046 8.1956 114.1962 66.9771 68.0100 176.3557 173 Y 4.1366 8.6590 123.0210 59.9340 38.7924 177.6445 174 L 3.8351 8.7723 121.6115 58.4473 41.8990 178.7931 175 N 4.3453 8.4727 116.5604 56.1352 38.1772 176.9281 176 D 4.1758 7.9186 118.6130 57.3575 41.5938 177.4515 177 H 4.3811 7.8631 114.9582 56.8049 29.4700 176.7442 178 L 4.1626 7.3051 119.5608 56.1930 42.5291 178.2830 179 E 3.9698 8.3489 118.9299 58.8996 29.2270 177.4774 180 P 4.1623 0.0000 0.0000 65.5161 31.5160 178.4150 181 W 3.8432 7.9899 126.3946 60.2117 30.6063 177.8513 182 I 3.3394 7.9178 119.8594 64.5773 36.3655 178.5510 183 Q 3.9697 8.3155 117.3925 58.5196 28.5438 177.8767 184 E 4.0756 7.4058 119.1126 57.2159 29.7295 176.4757 185 N 4.6108 6.8500 115.2983 53.5370 38.9912 175.2763 186 G 4.4366 8.4585 106.6826 45.2701 0.0000 175.8053 187 G 3.9129 8.6698 109.4956 44.7764 0.0000 174.1322 188 W 4.4406 8.5747 116.8661 58.7810 28.7617 178.3293 189 D 4.4506 8.2028 119.5685 57.7592 40.3715 178.4961 190 T 3.8496 7.7956 116.3710 66.2523 68.3873 176.5660 191 F 3.2740 7.6923 122.1426 60.9869 39.2400 177.0830 192 V 3.4401 8.0816 117.8811 66.1223 31.1414 177.5161 193 E 3.5813 8.2461 117.9115 58.9043 29.3954 177.8902 194 L 4.0659 7.5270 119.2161 56.3385 42.5215 177.0057 195 Y 4.5833 7.8814 113.3819 57.1920 39.1874 175.8907 196 G 3.6913 8.9440 115.5535 45.6466 0.0000 173.6135 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 8.14 4.62 0.00 3.89 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 3 Q 7.95 3.91 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 4 S 8.70 4.06 0.00 3.88 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 5 N 8.19 4.27 0.00 2.83 2.99 0.00 0.00 6.68 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 7.63 3.90 0.00 2.24 2.05 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 7 E 8.07 3.87 0.00 2.17 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 2.23 2.26 0.00 8 L 8.06 3.76 0.00 1.65 1.74 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.12 3.91 2.32 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 1.18 0.00 0.00 1.21 0.00 0.00 10 V 7.78 2.97 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 0.44 0.00 0.00 0.75 0.00 0.00 11 D 8.13 4.17 0.00 2.80 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 12 F 8.28 3.99 0.00 3.07 3.26 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 0.00 13 L 8.44 4.15 0.00 1.80 2.02 1.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.44 4.43 0.00 3.92 3.88 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 15 Y 8.15 3.95 0.00 2.93 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 16 K 7.97 3.64 0.00 1.67 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.56 7.81 17 L 8.18 4.19 0.00 2.16 2.06 1.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.40 4.49 0.00 3.55 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 19 Q 7.81 3.81 0.00 1.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 20 K 7.77 4.44 0.00 2.10 1.99 0.00 1.90 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.61 7.81 21 G 8.17 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 0.00 0.00 0.00 22 Y 7.93 4.63 0.00 3.12 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 23 S 8.40 4.09 0.00 3.59 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 24 W 7.05 4.92 0.00 3.70 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 25 S 7.74 4.11 0.00 3.68 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.80 4.11 0.00 1.68 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 27 F 7.48 4.84 0.00 3.33 2.62 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 *80 V 8.08 4.10 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 0.77 0.00 0.00 0.93 0.00 0.00 81 I 7.01 4.70 1.88 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 1.72 0.81 0.91 0.00 0.00 82 P 0.00 4.43 0.00 2.23 2.18 0.00 3.64 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 2.15 2.16 0.00 83 M 8.12 3.93 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 84 A 7.67 3.95 1.32 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 0.00 0.00 85 A 7.80 3.96 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 86 V 8.47 3.67 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 0.68 0.00 0.00 1.07 0.00 0.00 87 K 8.43 3.72 0.00 1.85 1.89 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.55 7.81 88 Q 7.97 3.78 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 89 A 8.11 3.97 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 90 L 8.54 4.15 0.00 1.76 1.73 0.42 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.16 3.74 0.00 1.64 0.77 0.00 2.76 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.50 0.00 92 L 8.09 4.05 0.00 2.04 1.80 0.98 0.57 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 93 A 8.58 4.33 1.25 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 94 G 8.66 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 95 D 8.48 4.56 0.00 3.05 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 8.58 4.07 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 97 F 8.76 4.37 0.00 3.45 3.48 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 0.00 98 E 8.54 4.69 0.00 2.17 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 0.00 2.63 2.66 0.00 99 L 7.56 4.11 0.00 2.01 1.93 0.95 0.79 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 0.00 100 R 7.77 4.11 0.00 1.81 1.94 0.00 2.84 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.00 101 Y 8.09 4.35 0.00 2.13 2.45 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 0.00 102 R 8.26 4.60 0.00 1.95 2.09 0.00 2.94 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 103 R 7.90 3.51 0.00 1.96 2.21 0.00 3.24 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 104 A 7.81 3.80 1.44 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 0.00 0.00 105 F 7.66 3.94 0.00 3.58 3.43 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 0.00 106 S 7.84 4.25 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.01 4.67 0.00 2.90 2.97 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 0.00 108 L 8.07 4.02 0.00 2.08 1.66 0.56 0.54 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 0.00 109 T 8.48 4.14 4.45 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 1.42 0.00 0.00 110 S 8.34 3.88 0.00 4.14 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 0.00 111 Q 8.70 4.07 0.00 2.13 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 112 L 7.54 4.39 0.00 1.79 1.96 0.97 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.91 3.99 0.00 3.32 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.72 4.03 2.00 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 1.53 1.02 0.93 0.00 0.00 115 T 8.87 4.80 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 1.31 0.00 0.00 116 P 0.00 4.26 0.00 2.06 2.14 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 117 G 7.59 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 0.00 0.00 0.00 118 T 8.05 3.96 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 119 A 8.27 4.85 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 0.00 120 Y 8.55 2.63 0.00 2.70 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 0.00 121 Q 8.10 3.84 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 122 S 7.72 3.98 0.00 3.96 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 0.00 123 F 7.50 3.96 0.00 2.55 2.48 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 0.00 124 E 8.14 3.76 0.00 1.19 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 0.00 2.28 2.45 0.00 125 Q 7.75 3.86 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 126 V 7.51 3.55 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 0.83 0.00 0.00 0.97 0.00 0.00 127 V 7.45 2.97 1.18 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 0.23 0.00 0.00 -0.30 0.00 0.00 128 N 8.07 4.51 0.00 2.98 2.85 0.00 0.00 6.73 7.25 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 0.00 129 E 7.70 3.85 0.00 1.81 1.89 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 2.47 2.38 0.00 130 L 7.58 3.87 0.00 0.56 0.76 0.39 0.81 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 0.00 131 F 7.71 5.02 0.00 2.98 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 0.00 132 R 8.22 3.88 0.00 1.88 2.02 0.00 2.97 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 133 D 8.17 4.68 0.00 2.63 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 0.00 134 G 8.16 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 7.39 3.91 1.03 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 -0.17 0.00 0.00 0.36 0.00 0.00 136 N 7.39 3.44 0.00 2.86 2.59 0.00 0.00 6.15 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 8.50 4.67 0.00 3.78 3.79 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 0.00 138 G 8.49 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 0.00 0.00 0.00 139 R 9.03 3.82 0.00 2.04 1.87 0.00 3.04 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 140 I 7.79 3.96 2.25 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 1.25 0.00 0.00 141 V 8.18 3.67 2.21 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 1.06 0.00 0.00 0.99 0.00 0.00 142 A 7.75 3.20 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 0.00 143 F 8.20 3.89 0.00 3.22 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 0.00 144 F 8.08 3.50 0.00 2.75 1.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.58 0.00 4.26 4.30 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 0.00 146 F 8.59 3.77 0.00 1.62 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 0.00 147 G 7.97 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 0.00 0.00 0.00 148 G 8.50 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.23 4.10 1.56 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 0.00 0.00 150 L 7.79 3.78 0.00 1.64 1.59 0.79 0.73 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 0.00 151 C 8.07 4.01 0.00 3.13 2.91 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 0.00 152 V 7.66 3.04 2.17 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 0.99 0.00 0.00 0.88 0.00 0.00 153 E 8.25 3.88 0.00 2.12 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 2.30 2.37 0.00 154 S 8.15 4.07 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.73 3.50 1.73 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 1.01 0.00 0.00 0.80 0.00 0.00 156 D 8.22 4.49 0.00 2.80 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 0.00 157 K 7.44 4.39 0.00 1.73 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.69 7.81 158 E 8.21 3.88 0.00 2.10 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 2.24 2.40 0.00 159 M 8.28 4.85 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.41 0.00 160 Q 8.13 3.89 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 161 V 7.56 3.61 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 0.74 0.00 0.00 0.84 0.00 0.00 162 L 8.07 3.97 0.00 1.60 1.52 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.26 3.44 1.67 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 0.60 0.00 0.00 0.61 0.00 0.00 164 S 7.65 4.18 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.42 3.46 0.00 1.50 1.52 0.00 2.55 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 166 I 7.84 3.17 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.32 0.84 0.00 0.00 167 A 8.14 4.04 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 0.00 168 A 7.77 3.99 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 0.00 169 W 8.28 4.47 0.00 3.03 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 0.00 170 M 8.62 4.64 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 171 A 8.28 4.20 1.45 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 0.00 172 T 8.20 3.80 4.34 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 0.80 0.00 0.00 173 Y 8.66 4.14 0.00 3.75 3.47 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 0.00 174 L 8.77 3.84 0.00 2.15 1.89 1.33 0.94 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 0.00 175 N 8.47 4.35 0.00 2.82 2.86 0.00 0.00 6.77 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 0.00 176 D 7.92 4.18 0.00 2.55 2.46 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 0.00 177 H 7.86 4.38 0.00 2.27 2.72 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.31 4.16 0.00 1.61 1.44 0.10 -0.09 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 0.00 179 E 8.35 3.97 0.00 2.12 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 2.62 2.60 0.00 180 P 0.00 4.16 0.00 2.11 2.06 0.00 3.54 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 181 W 7.99 3.84 0.00 3.23 3.07 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 0.00 182 I 7.92 3.34 1.86 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.41 0.00 0.00 183 Q 8.32 3.97 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 184 E 7.41 4.08 0.00 1.79 1.73 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 2.11 2.11 0.00 185 N 6.85 4.61 0.00 1.44 2.27 0.00 0.00 7.17 7.74 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 0.00 186 G 8.46 4.44 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 0.00 0.00 0.00 187 G 8.67 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 0.00 188 W 8.57 4.44 0.00 3.51 3.39 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 0.00 189 D 8.20 4.45 0.00 2.90 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 0.00 190 T 7.80 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 191 F 7.69 3.27 0.00 2.46 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 0.00 192 V 8.08 3.44 2.26 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 0.95 0.00 0.00 1.16 0.00 0.00 193 E 8.25 3.58 0.00 2.00 2.04 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 2.25 2.28 0.00 194 L 7.53 4.07 0.00 1.54 1.33 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.88 4.58 0.00 1.96 2.62 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 0.00 196 G 8.94 3.69 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 0.00 * Residues marked with a * may have inaccurate shift predictions.