NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.2863 8.3344 115.4120 57.7707 64.2818 172.7097 20 Q 3.9018 8.3701 121.4746 55.0746 27.9746 173.6245 21 K 4.2090 8.5674 125.9715 55.7485 33.7958 176.4068 22 L 4.5578 8.3172 124.8170 53.4136 44.5684 174.7409 23 I 4.4878 8.3731 125.8019 58.9479 40.2765 174.3310 24 L 4.6887 8.4782 126.4920 53.0437 44.2430 175.8993 25 T 4.5989 8.4864 113.8323 59.5838 71.3577 174.0004 26 G 4.2486 8.4659 124.7193 45.7706 0.0000 171.2475 27 R 4.3969 7.9734 123.3778 56.6383 30.0331 178.3517 *31 H 4.4222 8.9127 110.4417 55.7768 29.4478 171.9087 32 H 4.9327 8.6363 120.6754 53.9551 31.1900 173.9261 33 Q 4.4744 8.3166 119.4700 54.6040 30.2918 176.2871 34 G 3.7589 8.3068 104.9039 44.8310 0.0000 174.5985 35 I 3.7818 8.3170 122.9326 63.4990 37.9284 177.8324 36 I 4.0831 7.6417 120.0398 63.4478 37.4122 177.4686 37 N 4.3986 8.1590 117.2866 56.5088 38.2226 177.2256 38 Q 4.1236 7.8156 117.3955 58.6352 28.7900 177.8375 39 V 4.1653 7.1263 110.6980 60.8067 33.2451 177.0524 40 S 4.5071 7.6462 117.9203 57.7748 61.2251 172.3358 41 T 5.0967 7.3940 111.1062 59.6525 72.8019 175.0598 42 V 4.4827 8.7763 121.1131 59.9847 34.2887 175.1050 43 T 4.6497 8.4353 120.7222 63.3985 69.3633 174.0242 44 K 4.4314 8.5195 125.2736 54.2948 35.6840 175.2203 45 V 4.8422 8.3081 123.9983 60.8772 34.0357 174.4267 46 I 4.6489 8.5414 121.0103 59.4466 40.2849 174.2616 47 H 5.4225 8.8590 121.6650 54.6079 31.7996 173.1928 48 H 4.9711 9.2195 119.8912 54.9314 33.6784 171.9457 49 E 4.8563 8.6365 124.0420 54.6393 32.5631 175.1575 50 L 4.4495 8.6256 128.2779 53.2346 43.5131 174.2201 51 E 4.8214 8.5900 127.4946 55.3448 30.4308 175.5689 52 V 4.5756 8.8567 119.7322 58.7740 35.8819 175.8804 53 A 4.6624 8.1132 125.7348 50.8169 17.6808 176.9172 54 A 4.7594 7.1930 124.7854 48.8817 23.2707 176.4939 55 S 4.2604 8.5142 115.1887 58.1940 65.1032 175.4957 56 A 4.0922 8.6108 125.2611 55.5392 18.1556 179.9017 57 D 4.4383 8.1361 117.0077 57.7447 40.9454 178.6301 58 D 4.4102 8.0019 119.5047 57.3914 40.8465 178.9132 59 I 3.9549 7.7656 119.9299 64.1644 37.0708 178.3236 60 W 4.4261 8.6816 129.5329 60.8212 30.3319 177.9107 61 T 3.7440 7.9773 112.1794 64.9261 67.0339 176.0845 62 V 3.7520 7.4537 118.8978 66.2257 31.2479 177.5676 63 Y 3.8691 7.9492 116.7547 60.5362 37.4851 177.9754 64 S 4.2665 7.2858 112.2331 56.7591 63.7757 173.9129 65 W 4.3651 7.4465 133.9961 56.8316 30.5016 174.9302 66 P 4.1927 0.0000 0.0000 64.9622 29.6853 178.2198 67 G 2.9800 6.3322 105.7891 45.7547 0.0000 175.3019 68 L 3.5789 6.9670 122.6491 57.6348 42.5696 178.5508 69 A 3.9120 7.9034 121.5327 55.2164 18.2194 179.2830 70 K 3.9933 7.1200 110.4644 58.8322 32.9349 177.3218 71 H 4.9606 7.5959 116.5493 55.8779 29.1800 176.6636 72 L 4.0775 7.8853 123.5814 57.2901 40.8752 177.3928 73 P 4.5081 0.0000 0.0000 65.7427 31.0328 178.2276 74 D 4.4053 8.0144 115.9577 57.4212 40.9860 178.0021 75 L 4.2297 8.1027 119.5788 56.9036 43.5681 177.1852 76 L 4.8076 8.3196 118.2400 51.8183 41.7596 173.7722 77 P 4.4493 0.0000 0.0000 63.1659 32.2420 177.0991 78 G 3.8788 8.8375 108.9013 46.2278 0.0000 174.3723 79 A 4.0337 7.7299 123.8550 53.9613 18.7408 178.6666 80 F 4.6608 7.4967 113.0439 55.9351 40.5419 175.6766 81 E 4.1967 8.8752 126.1228 58.1230 29.9688 176.4377 82 K 4.3944 7.3012 117.0457 55.1089 35.2706 174.5342 83 L 4.4322 8.2927 128.4538 53.2643 44.6821 174.6235 84 E 4.5046 8.7774 128.1797 54.3196 31.8314 174.1667 85 I 4.7274 8.1563 126.5282 59.1589 40.6870 174.1949 86 I 4.1761 8.7329 130.8452 61.6109 39.1388 175.6666 87 G 3.9918 8.8683 112.8900 44.2442 0.0000 172.6772 88 D 4.3332 8.2439 117.3716 54.4151 39.5935 177.1093 89 G 4.1236 7.7118 107.2591 46.3041 0.0000 174.4922 90 G 3.9844 8.9452 109.0854 44.5485 0.0000 173.2869 91 V 4.0701 8.2792 112.1837 63.1879 31.9908 175.5367 92 G 4.1551 9.3766 111.0410 45.7321 0.0000 174.5983 93 T 4.0664 7.5575 115.4591 64.1238 69.7024 173.4173 94 I 4.7784 8.3501 125.4077 59.3802 40.6001 174.4323 95 L 4.8834 8.6675 126.5777 53.0419 44.1830 175.6379 96 D 4.8689 8.9063 123.9740 52.7979 44.4609 174.8975 *98 T 4.2121 8.0994 116.3254 63.3922 69.8723 173.5989 99 F 5.1484 8.7270 124.7844 55.3385 41.8914 176.1192 100 V 3.9008 8.3543 113.3392 60.7332 32.6367 174.3692 101 P 4.3547 0.0000 0.0000 64.5707 31.8963 174.8790 102 G 4.2904 9.0244 110.5928 45.8710 0.0000 174.1092 103 E 4.0737 7.4664 118.7951 55.7807 30.1020 176.4844 104 F 4.4743 8.3711 126.4574 56.2293 40.4947 171.1240 105 P 2.9700 0.0000 0.0000 60.1458 33.0803 175.1126 106 H 4.4747 8.1326 122.6055 58.9788 31.2324 174.5047 107 E 4.9649 7.8280 117.8634 55.0590 32.8945 173.3840 108 Y 5.2118 7.7411 123.0086 55.8409 41.1541 174.0843 109 K 4.8063 9.1459 120.3045 55.5105 34.2394 175.7401 110 E 5.0445 8.8729 122.0752 54.6951 33.7852 173.8742 111 K 4.9536 9.2353 125.7170 54.6309 36.2825 175.4332 112 F 5.0553 9.1088 126.4724 57.5759 38.5467 176.1363 113 I 4.0679 8.6842 126.1340 63.5062 38.1175 176.9559 114 L 4.6152 7.7547 123.1328 53.7324 45.5964 175.0259 115 V 4.7974 8.6088 125.5024 61.2687 33.0113 173.2166 116 D 4.7638 9.6405 127.4853 52.1339 41.2666 176.0161 117 N 4.5018 9.0633 123.2137 56.2548 39.0965 177.1376 118 E 3.7984 8.4107 116.8380 59.3443 29.5623 177.1029 119 H 4.4070 8.3034 112.0398 54.8515 29.8972 174.9150 120 R 2.0000 6.7483 118.3714 56.5550 28.0066 175.5044 121 L 5.1817 7.1515 118.5136 53.0936 45.8967 175.7986 122 K 5.2925 9.3719 126.7420 54.6953 36.0280 174.7073 123 K 5.1758 9.0566 125.9905 54.7142 35.2971 175.4794 124 V 5.1143 8.8452 117.7884 58.9628 34.7770 174.8822 125 Q 5.1131 9.3675 125.9652 55.4701 31.9559 177.7757 *127 I 4.1006 8.5824 110.0670 59.5306 39.5498 175.1466 128 E 4.5651 8.0182 118.4875 56.8652 32.6218 176.7473 129 G 3.7255 8.3450 114.3604 45.8949 0.0000 173.5505 130 G 3.2701 7.9165 108.6483 46.6884 0.0000 176.4835 131 Y 4.3369 7.4447 119.0070 60.1557 37.9442 177.7225 132 L 4.5752 7.4383 118.1988 56.4261 41.9141 177.4228 133 D 4.8524 8.0837 117.6072 53.8930 41.0830 176.3708 134 L 4.5156 8.0151 121.3580 54.7207 42.7841 177.3742 135 G 3.3612 8.1519 107.0951 44.5004 0.0000 174.1854 136 V 4.4947 7.5382 120.2051 62.7943 32.2176 175.8213 137 T 4.6971 8.6586 116.0871 61.7739 70.3495 173.6118 138 Y 4.6849 7.7819 120.4617 57.2880 41.7203 171.9247 139 Y 5.2986 7.2720 125.5996 55.9893 43.2129 172.8354 *141 D 4.7812 8.5029 121.5068 54.5258 42.8897 174.5883 142 T 5.0183 9.1431 119.3383 61.7568 72.0425 172.9440 143 I 4.8171 9.1990 127.0347 59.7357 40.2500 173.9509 144 H 5.1387 9.2308 127.7640 54.3673 32.3401 172.7364 145 V 4.5690 8.4427 127.6605 61.6928 31.9357 175.1474 146 V 4.3450 8.2194 128.5715 58.8281 33.6287 173.8064 147 P 4.7777 0.0000 0.0000 63.5191 31.6363 176.2841 148 T 4.5055 9.1779 116.2171 62.1134 70.6074 173.9877 149 G 3.9131 7.5292 108.3320 45.2793 0.0000 172.3859 150 K 4.0836 8.7856 119.6948 59.2078 32.1466 177.3335 151 D 5.2455 7.7848 116.9390 53.2972 41.2996 175.8276 152 S 5.1399 8.2857 110.8198 57.3487 66.9080 172.6553 153 C 5.0571 8.8880 114.9755 57.4048 33.5877 172.4754 154 V 4.4862 8.5985 120.3696 61.7369 33.2115 174.9452 155 I 4.4477 8.7200 129.6530 60.2245 37.9555 175.3100 156 K 4.6662 8.9497 129.0078 55.5200 32.7784 175.9368 157 S 5.3556 9.0326 122.8262 56.8403 65.0885 173.9181 158 S 5.1125 9.2141 118.6197 56.7908 67.0227 172.6339 159 T 4.6462 8.6854 115.9572 60.2103 70.1169 171.9172 160 E 5.1478 8.6443 129.6561 54.5594 31.8964 173.8927 161 Y 5.2501 8.4383 124.7268 55.6640 42.0717 174.1845 162 H 5.3913 9.5702 118.6878 54.5572 31.1726 173.7729 163 V 4.9985 8.4915 117.1666 59.0323 34.7952 175.7266 164 K 4.6094 8.7533 124.4356 56.1173 32.2939 176.5977 165 P 4.4029 0.0000 0.0000 65.7099 31.0809 178.1075 166 E 4.1229 8.3640 115.6302 58.1428 29.8055 177.6801 167 F 4.5531 8.5179 118.2292 57.6163 39.9161 177.7709 168 V 3.8094 7.7483 113.3565 64.3767 31.1043 178.2722 169 K 3.9676 8.0748 116.9192 59.6799 31.9742 178.8806 170 I 3.9620 7.6280 118.7275 63.6625 37.4988 177.8017 171 V 4.1833 7.8938 118.8773 62.8999 31.5581 177.9048 172 E 3.9365 8.0252 120.2241 58.8233 29.2798 176.9404 173 P 4.3865 0.0000 0.0000 64.9511 31.4335 178.4431 174 L 4.4775 7.1280 114.3012 56.9042 42.5496 178.4721 175 I 3.4795 7.4881 124.2299 61.6085 34.9358 175.5674 176 T 4.4845 7.8154 115.6480 60.0269 71.3841 174.7811 177 T 4.2861 8.2686 113.5112 62.1569 67.5078 176.0557 178 G 3.7648 8.0035 110.6348 48.7983 0.0000 174.4542 179 P 4.4141 0.0000 0.0000 64.6891 31.5051 177.5064 180 L 4.2914 7.9213 117.3474 57.3866 41.3812 177.8627 181 A 4.0529 8.1689 123.0763 55.1085 18.5654 179.9052 182 A 3.9518 8.5817 117.6865 52.5849 17.9616 179.2976 *184 A 4.5686 8.1060 123.6516 54.0760 20.7665 179.7123 185 D 4.3298 8.3427 114.5900 57.5396 41.1632 178.3369 186 A 4.0118 8.0468 121.3234 55.0855 18.3257 179.7991 187 I 3.6464 7.6517 117.8248 64.6054 37.2574 178.2826 188 S 4.1584 8.1979 116.1290 61.8271 62.5014 177.0183 189 K 3.9150 8.0868 119.5947 59.4823 31.8969 178.7961 190 L 4.1084 7.3410 117.8521 57.9730 41.9304 179.6342 191 V 3.7350 7.6845 117.6022 66.0004 31.4067 177.6767 192 L 4.2741 8.0040 115.2087 55.0062 41.5835 176.5355 193 E 4.3822 7.3948 119.6380 54.8349 30.9288 175.8036 194 H 4.4916 8.1004 117.9481 55.7500 28.9343 175.0099 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 19 S 8.33 4.29 0.00 3.99 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 20 Q 8.37 3.90 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 21 K 8.57 4.21 0.00 1.78 1.73 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.42 7.81 22 L 8.32 4.56 0.00 1.53 1.49 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.37 4.49 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 1.41 1.07 0.91 0.00 0.00 24 L 8.48 4.69 0.00 1.61 1.53 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.49 4.60 4.24 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 1.21 0.00 0.00 26 G 8.47 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 0.00 0.00 0.00 0.00 27 R 7.97 4.40 0.00 1.71 0.86 0.00 3.32 0.00 0.00 3.23 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 *31 H 8.91 4.42 0.00 3.15 3.29 0.00 5.91 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 32 H 8.64 4.93 0.00 3.10 3.23 0.00 5.88 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.32 4.47 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 34 G 8.31 3.76 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 0.00 0.00 0.00 35 I 8.32 3.78 1.88 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 1.64 0.86 0.92 0.00 0.00 36 I 7.64 4.08 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.00 0.92 0.00 0.00 37 N 8.16 4.40 0.00 3.00 2.91 0.00 0.00 6.91 7.42 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 38 Q 7.82 4.12 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 39 V 7.13 4.17 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 0.78 0.00 0.00 1.00 0.00 0.00 40 S 7.65 4.51 0.00 4.10 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 41 T 7.39 5.10 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 1.31 0.00 0.00 42 V 8.78 4.48 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 0.79 0.00 0.00 0.90 0.00 0.00 43 T 8.44 4.65 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 1.21 0.00 0.00 44 K 8.52 4.43 0.00 0.79 1.13 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.17 7.81 45 V 8.31 4.84 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 0.67 0.00 0.00 0.86 0.00 0.00 46 I 8.54 4.65 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.95 0.00 0.00 47 H 8.86 5.42 0.00 3.05 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 9.22 4.97 0.00 3.22 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.64 4.86 0.00 1.80 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 2.19 2.26 0.00 50 L 8.63 4.45 0.00 1.73 1.59 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.59 4.82 0.00 2.01 1.85 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 2.39 2.33 0.00 52 V 8.86 4.58 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 0.70 0.00 0.00 1.03 0.00 0.00 53 A 8.11 4.66 1.26 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 0.00 0.00 54 A 7.19 4.76 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 55 S 8.51 4.26 0.00 4.08 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 0.00 56 A 8.61 4.09 1.34 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 0.00 0.00 57 D 8.14 4.44 0.00 2.75 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 58 D 8.00 4.41 0.00 2.82 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 59 I 7.77 3.95 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.96 1.23 0.00 0.00 60 W 8.68 4.43 0.00 3.49 3.20 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 61 T 7.98 3.74 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 1.35 0.00 0.00 62 V 7.45 3.75 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.85 0.00 0.00 63 Y 7.95 3.87 0.00 3.02 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 64 S 7.29 4.27 0.00 3.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.45 4.37 0.00 3.47 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 66 P 0.00 4.19 0.00 2.15 2.06 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 67 G 6.33 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 0.00 0.00 0.00 68 L 6.97 3.58 0.00 1.70 1.56 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.90 3.91 1.21 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 0.00 0.00 70 K 7.12 3.99 0.00 1.64 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.73 4.03 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 80 F 7.50 4.66 0.00 2.93 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 81 E 8.88 4.20 0.00 1.88 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 2.28 2.24 0.00 82 K 7.30 4.39 0.00 1.68 1.48 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.19 1.32 7.81 83 L 8.29 4.43 0.00 1.15 1.14 0.47 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.78 4.50 0.00 1.93 1.62 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 2.09 2.11 0.00 85 I 8.16 4.73 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.71 0.00 0.00 86 I 8.73 4.18 1.77 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 1.08 0.68 0.85 0.00 0.00 87 G 8.87 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 88 D 8.24 4.33 0.00 2.76 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 89 G 7.71 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 90 G 8.95 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 0.00 0.00 0.00 91 V 8.28 4.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 92 G 9.38 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 0.00 0.00 0.00 93 T 7.56 4.07 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 0.86 0.00 0.00 94 I 8.35 4.78 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 0.87 0.00 0.00 95 L 8.67 4.88 0.00 1.42 1.38 0.34 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.91 4.87 0.00 2.53 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 0.00 0.00 0.00 *98 T 8.10 4.21 4.06 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 0.00 0.00 0.00 1.07 0.00 0.00 99 F 8.73 5.15 0.00 2.78 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 0.00 100 V 8.35 3.90 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 0.95 0.00 0.00 0.97 0.00 0.00 101 P 0.00 4.35 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 102 G 9.02 4.29 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 0.00 103 E 7.47 4.07 0.00 1.97 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 2.12 2.19 0.00 104 F 8.37 4.47 0.00 2.97 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 0.00 105 P 0.00 2.97 0.00 1.88 0.86 0.00 2.80 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 106 H 8.13 4.47 0.00 3.37 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.83 4.96 0.00 1.83 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 2.19 2.13 0.00 108 Y 7.74 5.21 0.00 2.94 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 0.00 109 K 9.15 4.81 0.00 1.62 1.76 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.62 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.33 7.81 110 E 8.87 5.04 0.00 2.28 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 0.00 2.37 2.41 0.00 111 K 9.24 4.95 0.00 1.79 1.61 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.48 7.81 112 F 9.11 5.06 0.00 2.97 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 0.00 113 I 8.68 4.07 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.42 0.97 0.00 0.00 114 L 7.75 4.62 0.00 1.72 1.51 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.61 4.80 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 116 D 9.64 4.76 0.00 2.75 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 0.00 117 N 9.06 4.50 0.00 2.91 3.04 0.00 0.00 6.64 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 0.00 118 E 8.41 3.80 0.00 1.89 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 2.15 2.28 0.00 119 H 8.30 4.41 0.00 3.19 3.20 0.00 5.86 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 6.75 2.00 0.00 1.64 1.30 0.00 2.96 0.00 0.00 3.02 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 121 L 7.15 5.18 0.00 1.60 1.37 0.80 0.42 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 0.00 122 K 9.37 5.29 0.00 2.13 1.69 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.27 1.48 7.81 123 K 9.06 5.18 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 124 V 8.85 5.11 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 0.73 0.00 0.00 1.11 0.00 0.00 125 Q 9.37 5.11 0.00 2.09 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 *127 I 8.58 4.10 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 1.31 0.72 0.92 0.00 0.00 128 E 8.02 4.57 0.00 1.96 1.77 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 2.15 2.17 0.00 129 G 8.34 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 0.00 130 G 7.92 3.27 0.00 0.00 0.00 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0.00 0.00 0.00 1.99 2.10 0.00 148 T 9.18 4.51 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 1.32 0.00 0.00 149 G 7.53 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 0.00 150 K 8.79 4.08 0.00 1.71 1.86 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.54 7.81 151 D 7.78 5.25 0.00 2.55 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.29 5.14 0.00 3.97 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 0.00 153 C 8.89 5.06 0.00 3.17 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 0.00 154 V 8.60 4.49 2.06 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 0.99 0.00 0.00 0.94 0.00 0.00 155 I 8.72 4.45 1.93 0.00 0.00 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 1.32 0.64 0.92 0.00 0.00 156 K 8.95 4.67 0.00 1.87 1.80 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.40 7.81 157 S 9.03 5.36 0.00 3.86 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 0.00 158 S 9.21 5.11 0.00 3.68 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 0.00 159 T 8.69 4.65 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 1.16 0.00 0.00 160 E 8.64 5.15 0.00 2.04 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 2.43 2.28 0.00 161 Y 8.44 5.25 0.00 3.18 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 0.00 162 H 9.57 5.39 0.00 3.18 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.49 5.00 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 0.95 0.00 0.00 1.20 0.00 0.00 164 K 8.75 4.61 0.00 1.85 1.93 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.43 7.81 165 P 0.00 4.40 0.00 2.30 2.35 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 166 E 8.36 4.12 0.00 2.09 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 2.35 2.55 0.00 167 F 8.52 4.55 0.00 3.36 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 0.00 168 V 7.75 3.81 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 169 K 8.07 3.97 0.00 1.68 1.87 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.61 7.81 170 I 7.63 3.96 2.09 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 1.74 0.48 0.95 0.00 0.00 171 V 7.89 4.18 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 0.94 0.00 0.00 0.97 0.00 0.00 172 E 8.03 3.94 0.00 2.17 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 0.00 2.35 2.42 0.00 173 P 0.00 4.39 0.00 2.08 2.11 0.00 3.85 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 2.04 2.19 0.00 174 L 7.13 4.48 0.00 1.97 2.09 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.49 3.48 1.37 0.00 0.00 -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 -0.30 -0.36 0.61 0.00 0.00 176 T 7.82 4.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 177 T 8.27 4.29 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 178 G 8.00 3.76 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 0.00 0.00 0.00 179 P 0.00 4.41 0.00 2.32 2.27 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 180 L 7.92 4.29 0.00 1.88 1.97 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.17 4.05 1.19 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 0.00 0.00 182 A 8.58 3.95 1.34 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 0.00 0.00 *184 A 8.11 4.57 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 0.00 185 D 8.34 4.33 0.00 2.88 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 0.00 186 A 8.05 4.01 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 0.00 187 I 7.65 3.65 1.79 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 1.43 0.53 0.85 0.00 0.00 188 S 8.20 4.16 0.00 4.11 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 0.00 189 K 8.09 3.92 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.65 7.81 190 L 7.34 4.11 0.00 1.78 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 191 V 7.68 3.74 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 1.05 0.00 0.00 0.97 0.00 0.00 192 L 8.00 4.27 0.00 1.64 1.71 0.94 0.92 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 0.00 193 E 7.39 4.38 0.00 2.07 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 0.00 2.22 2.17 0.00 194 H 8.10 4.49 0.00 3.22 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.