NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 L 4.3843 8.1849 122.7481 55.0037 43.4198 175.7420 31 I 3.8737 8.8843 128.8552 58.9986 37.8823 173.1582 32 N 4.8709 8.3975 125.4176 51.4913 39.4193 172.3456 33 P 4.4763 0.0000 0.0000 62.4709 32.9277 177.5106 34 G 3.7537 8.1407 108.5169 47.8805 0.0000 174.2953 35 H 4.3865 8.8293 122.2457 55.0806 28.9155 174.7501 36 A 4.1123 7.4572 123.1944 53.5273 18.4979 178.2036 37 Q 4.8849 9.2515 120.6561 55.1059 30.9028 175.5256 38 V 4.8991 7.6516 119.2525 60.9184 35.1355 173.7356 39 L 5.1741 8.7953 127.3733 53.1779 44.1536 175.2738 40 I 4.6684 8.9332 125.2529 59.6600 39.4672 174.4938 41 L 4.6485 9.1402 128.4283 54.2267 43.2499 178.0752 42 G 4.0216 8.5268 108.5503 45.3726 0.0000 172.5712 *44 G 3.9942 7.9063 105.8926 45.1188 0.0000 173.2359 45 R 3.8879 8.5776 116.4812 59.5177 29.6971 179.0131 46 I 3.7503 7.7447 119.0282 64.4754 37.2526 178.5413 47 G 3.7070 7.9226 107.2354 47.5132 0.0000 175.6277 48 T 4.0165 8.3272 118.4135 66.3858 68.4986 176.9480 49 G 3.6336 8.4421 107.7475 47.7454 0.0000 175.5177 50 A 3.9891 8.3060 123.6003 54.9221 18.4234 178.9831 51 Y 3.8429 8.3904 118.3782 61.1018 38.9295 178.2199 52 D 4.5001 8.6987 120.1716 57.3621 41.0319 178.4084 53 E 3.8846 8.2662 119.8600 59.1977 29.5479 178.9223 54 L 3.9761 8.0094 119.1025 57.6715 41.5955 179.3927 55 R 4.2707 8.1446 119.7670 58.8865 29.7921 178.3468 56 A 3.8989 7.7342 119.3643 55.2344 18.3925 179.4523 57 R 3.7613 7.3489 115.1371 58.1640 30.2616 177.1192 58 Y 4.7870 7.5321 112.5842 56.3889 40.6100 177.7073 59 G 3.7502 8.1363 108.9725 45.5215 0.0000 174.1186 60 K 4.3782 8.4884 119.9531 55.5391 31.0482 175.8350 61 I 4.6450 7.9536 113.9649 60.0946 39.5147 174.8073 62 S 5.2575 8.0073 117.7600 56.8454 66.0365 173.0101 63 L 4.9828 9.0141 124.8022 53.3928 44.7550 175.5133 64 G 4.4277 9.3495 114.0879 45.1316 0.0000 172.3700 65 I 5.0421 8.6887 123.6042 59.1275 40.3838 174.2215 66 E 4.7442 8.8515 127.6499 54.2685 32.2597 176.2410 67 I 3.7585 8.5204 126.6274 63.5047 38.6173 176.8201 68 R 4.1695 8.1845 120.9754 55.3606 30.7917 177.0058 69 E 3.9235 8.8212 125.1006 59.0784 29.7407 178.3742 70 E 3.8942 8.1948 116.9764 59.6437 29.4473 178.8320 71 A 3.9231 8.0101 121.5495 54.4609 18.4149 179.2976 72 A 3.9185 7.9449 119.0986 55.2507 18.4979 179.4909 73 Q 3.8746 8.2894 118.4137 59.4987 29.1431 178.4245 74 Q 4.0036 8.3500 122.1272 58.9240 28.9612 177.9236 75 H 4.1072 8.4012 117.4657 58.9997 28.7567 177.9736 76 R 4.3674 8.3781 121.3676 58.8051 29.8626 179.3184 77 S 4.2341 8.2716 113.8944 60.9030 62.8268 175.3305 78 E 4.5053 7.8916 120.0377 56.0905 29.3276 177.0284 79 G 3.9116 7.9724 107.2807 45.4882 0.0000 173.4512 80 R 4.4732 7.9548 118.4377 54.2428 32.8392 175.6065 81 N 4.8676 9.4683 122.4751 52.7174 38.5975 173.0019 82 V 5.0597 7.9964 123.1778 60.5718 34.9452 173.9500 83 I 4.8359 8.6615 120.1949 58.9253 41.1853 174.5856 84 S 5.5453 8.0941 117.2809 56.6719 64.3405 173.5750 85 G 3.9207 7.5842 109.9950 46.5339 0.0000 170.9242 86 D 4.9134 7.4882 119.7969 52.0306 41.6821 176.6904 87 A 3.7575 8.2245 130.2407 54.3230 18.6484 178.5872 88 T 4.2891 8.0034 104.7900 62.2492 69.7407 174.1515 89 D 4.8421 8.1089 123.8435 52.3103 42.2327 174.7803 90 P 4.6763 0.0000 0.0000 65.4297 31.0687 178.1997 91 D 4.6142 8.7315 117.0170 57.1102 40.9624 178.4664 92 F 4.1929 8.3253 121.3034 61.2424 39.5974 177.3396 93 W 4.0422 8.2545 117.9979 59.6786 28.7078 178.1252 94 E 4.1585 8.3553 117.4104 58.4860 29.0981 178.4343 95 R 4.3294 7.6909 116.9271 55.2832 30.5362 175.9453 96 I 4.1507 6.6664 120.6890 60.2950 37.6829 176.0130 97 L 4.1315 8.5284 126.4183 55.1502 42.4108 177.5367 98 D 4.9752 8.2460 121.8539 53.5060 40.1418 176.5211 99 T 3.9751 7.6484 115.9247 64.6635 69.4322 176.5097 100 G 3.9693 8.3817 108.7159 45.4371 0.0000 173.7685 101 H 4.5042 7.9848 116.8626 57.3358 29.4039 175.4593 102 V 4.0532 7.8891 119.6593 62.8384 31.8155 175.2511 103 K 4.6697 9.4446 126.1399 56.4699 34.8808 175.7658 104 L 5.2698 7.8753 121.4356 53.3821 45.9993 174.5958 105 V 4.9135 8.9700 125.3672 61.1140 34.5034 173.8620 106 L 5.0715 8.9696 128.0337 53.2146 44.2332 175.5780 107 L 4.7762 9.0753 124.4978 53.5806 42.7966 175.4041 108 A 4.6244 8.8955 128.1490 49.3588 19.2007 174.2720 *110 P 4.2073 0.0000 0.0000 62.8735 33.6877 176.7294 111 H 4.8458 7.6859 116.3234 55.4446 30.9520 173.6987 112 H 4.2833 9.1951 116.1155 57.5394 26.1108 175.4440 113 Q 3.5999 8.4407 113.4408 56.9019 26.8564 176.1093 114 G 3.7254 8.0456 106.2526 48.1728 0.0000 175.7396 115 N 4.3236 8.1843 119.0844 56.0271 38.6589 177.1443 116 Q 3.9711 8.0303 120.1320 59.4945 29.3295 178.2752 117 T 4.0801 8.2165 116.6562 66.4950 68.4894 176.6851 118 A 4.3514 8.2617 124.3522 54.5085 18.4141 179.3001 119 L 3.8033 8.0558 118.7988 58.3796 42.0123 178.8137 120 E 3.9195 8.1672 118.3618 59.7689 29.2979 179.5968 121 Q 3.8482 7.7809 117.3984 58.7509 28.7799 178.3959 122 L 3.1874 7.6542 121.6571 58.1643 41.5363 179.0413 123 Q 4.1081 8.1026 117.2689 58.2746 28.5049 178.2074 124 R 4.1128 7.5563 117.8934 57.7585 29.9986 177.8012 125 R 4.4279 7.4909 116.9019 54.6108 30.4014 175.7844 126 N 4.2297 7.8541 114.2613 53.8023 36.7595 174.1840 127 Y 4.2349 7.2595 115.0691 58.2430 39.3549 176.5047 128 K 4.1642 7.9646 124.8183 56.5485 33.7287 177.1324 129 G 3.7385 5.3800 107.4495 44.2228 0.0000 172.8111 130 Q 4.8337 8.4015 118.4181 55.2134 31.1914 175.2931 131 I 5.2564 9.0920 121.1482 59.8842 41.6758 174.2814 132 A 5.3909 9.2855 127.2692 50.2092 22.8218 174.6227 133 A 5.2315 9.0929 120.7188 50.1405 23.2222 174.8485 134 I 5.0881 8.3078 118.9315 59.1677 40.5078 174.7027 135 A 4.7474 8.9218 130.2150 50.0305 22.0571 176.7071 136 E 3.6693 8.8556 120.4361 58.1412 30.2053 176.9228 137 Y 5.0408 8.0073 115.7969 55.2140 40.8718 174.8031 138 P 4.2809 0.0000 0.0000 65.6059 31.5857 177.7086 139 D 4.5896 8.1562 115.2367 54.7391 39.8179 177.2871 140 Q 4.3704 8.3256 119.2877 56.9455 28.9928 177.5400 141 L 4.0361 7.6461 121.1617 57.3733 41.6790 178.6195 142 E 3.9931 8.2417 119.0504 59.3948 29.7278 179.0055 143 G 3.7002 8.0767 105.1156 47.6808 0.0000 175.4824 144 L 4.0061 7.7384 121.1234 57.7173 41.7181 179.5507 145 L 3.9883 8.0837 118.9975 57.9017 41.3417 179.3898 146 E 4.1184 8.5519 117.4502 58.4593 29.4143 178.3422 147 S 4.6205 7.5712 113.5095 58.1367 63.1677 174.8586 148 G 3.9745 7.9725 110.4363 45.0213 0.0000 174.7386 149 V 3.8301 7.0986 112.9922 61.4923 32.0348 176.2467 150 D 4.6568 8.8711 123.1249 57.0793 41.5946 176.7942 151 A 4.5106 7.6783 117.6683 50.6675 22.5941 175.1479 152 A 5.1623 8.0070 122.4065 50.2388 22.1660 175.2924 153 F 4.9044 9.2093 119.4304 55.6153 44.0938 173.2758 154 N 5.1135 8.6643 118.8235 52.7327 40.2327 175.5371 155 I 3.4565 8.4923 127.7965 65.0400 37.2165 178.4018 156 Y 4.0749 7.6104 116.5566 60.8785 37.3794 178.2702 157 S 4.2169 8.6957 116.3511 61.7257 63.0024 176.5692 158 E 3.9821 8.3158 121.0995 59.2343 29.1324 179.1840 159 A 4.1179 8.3088 121.2057 55.1823 18.4990 179.9550 160 G 3.7022 8.0517 103.8233 47.8324 0.0000 176.0303 161 S 4.2263 7.8688 115.0211 61.2259 62.4353 176.4631 162 G 3.6797 8.2044 108.4467 47.6379 0.0000 175.1791 163 F 4.5118 8.4066 122.6759 61.4380 39.4820 177.0010 164 A 3.5995 7.9532 120.0177 55.1939 18.1532 179.5768 165 R 3.8877 7.9654 116.5841 59.2047 30.0673 178.1335 166 H 4.3594 7.8159 118.3136 58.6986 29.9907 177.1586 167 V 3.4761 7.7911 120.1086 66.2349 31.4685 177.6102 168 C 4.0226 7.9139 116.1734 62.9112 27.8145 176.3475 169 K 3.9418 7.8448 118.4075 59.4250 31.6898 179.0084 170 Q 4.1008 8.0335 118.5720 58.9734 29.2818 177.2518 171 L 4.4454 8.5326 116.6366 55.1147 42.7045 179.0410 172 E 4.0937 7.3038 113.8454 57.9834 27.1801 174.5952 173 P 4.3815 0.0000 0.0000 63.5452 31.2729 176.9239 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 30 L 8.18 4.38 0.00 1.63 1.63 0.94 0.70 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 31 I 8.88 3.87 1.61 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.59 0.81 0.00 0.00 32 N 8.40 4.87 0.00 2.64 2.74 0.00 0.00 7.26 7.69 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 33 P 0.00 4.48 0.00 2.28 2.26 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 34 G 8.14 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.83 4.39 0.00 3.09 3.24 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.46 4.11 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 37 Q 9.25 4.88 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 38 V 7.65 4.90 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 1.18 0.00 0.00 0.90 0.00 0.00 39 L 8.80 5.17 0.00 1.69 1.62 1.08 0.52 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 40 I 8.93 4.67 1.96 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 1.26 0.88 0.95 0.00 0.00 41 L 9.14 4.65 0.00 1.70 1.61 1.24 0.69 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 42 G 8.53 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 0.00 0.00 0.00 *44 G 7.91 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 45 R 8.58 3.89 0.00 1.85 2.00 0.00 3.13 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 46 I 7.74 3.75 1.83 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 1.49 0.65 0.86 0.00 0.00 47 G 7.92 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.33 4.02 4.39 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 1.24 0.00 0.00 49 G 8.44 3.63 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 0.00 0.00 0.00 50 A 8.31 3.99 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 51 Y 8.39 3.84 0.00 3.17 3.11 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 52 D 8.70 4.50 0.00 2.80 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 53 E 8.27 3.88 0.00 2.13 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 0.00 2.24 2.31 0.00 54 L 8.01 3.98 0.00 1.76 1.74 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.14 4.27 0.00 1.74 2.06 0.00 3.28 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 56 A 7.73 3.90 1.27 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 0.00 0.00 57 R 7.35 3.76 0.00 0.67 0.73 0.00 3.11 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 58 Y 7.53 4.79 0.00 2.97 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 59 G 8.14 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.49 4.38 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.44 7.81 61 I 7.95 4.64 1.85 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 1.39 1.05 0.92 0.00 0.00 62 S 8.01 5.26 0.00 3.20 3.65 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 0.00 63 L 9.01 4.98 0.00 1.75 1.52 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.35 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.69 5.04 1.71 0.00 0.00 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 1.11 1.31 0.32 0.00 0.00 66 E 8.85 4.74 0.00 2.01 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 2.20 2.42 0.00 67 I 8.52 3.76 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.88 0.00 0.00 68 R 8.18 4.17 0.00 1.89 2.07 0.00 3.17 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 69 E 8.82 3.92 0.00 2.06 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 0.00 2.37 2.42 0.00 70 E 8.19 3.89 0.00 2.17 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 0.00 2.34 2.31 0.00 71 A 8.01 3.92 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 72 A 7.94 3.92 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 73 Q 8.29 3.87 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 74 Q 8.35 4.00 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 75 H 8.40 4.11 0.00 3.31 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.38 4.37 0.00 2.02 1.97 0.00 3.13 0.00 0.00 3.44 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 77 S 8.27 4.23 0.00 4.04 4.10 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 78 E 7.89 4.51 0.00 2.15 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 2.30 2.36 0.00 79 G 7.97 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 80 R 7.95 4.47 0.00 1.51 0.86 0.00 2.75 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.38 0.00 81 N 9.47 4.87 0.00 2.92 3.09 0.00 0.00 6.61 7.75 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 82 V 8.00 5.06 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 0.87 0.00 0.00 0.60 0.00 0.00 83 I 8.66 4.84 1.89 0.00 0.00 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 1.32 0.83 0.92 0.00 0.00 84 S 8.09 5.55 0.00 3.92 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 85 G 7.58 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.49 4.91 0.00 2.71 2.50 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 0.00 0.00 0.00 0.00 87 A 8.22 3.76 1.27 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 0.00 0.00 88 T 8.00 4.29 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 1.25 0.00 0.00 89 D 8.11 4.84 0.00 2.94 2.82 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 90 P 0.00 4.68 0.00 2.28 2.19 0.00 4.02 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 91 D 8.73 4.61 0.00 3.02 2.78 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 0.00 0.00 0.00 92 F 8.33 4.19 0.00 3.03 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 93 W 8.25 4.04 0.00 3.51 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 94 E 8.36 4.16 0.00 1.99 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 2.40 2.55 0.00 95 R 7.69 4.33 0.00 1.82 1.82 0.00 3.10 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 96 I 6.67 4.15 1.84 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.34 0.94 0.00 0.00 97 L 8.53 4.13 0.00 1.71 1.59 0.93 1.09 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 98 D 8.25 4.98 0.00 2.65 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 99 T 7.65 3.98 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 1.22 0.00 0.00 100 G 8.38 3.97 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 0.00 0.00 0.00 101 H 7.98 4.50 0.00 3.29 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.89 4.05 2.29 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 0.92 0.00 0.00 1.08 0.00 0.00 103 K 9.44 4.67 0.00 1.70 1.81 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.57 7.81 104 L 7.88 5.27 0.00 1.75 1.47 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.97 4.91 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 1.02 0.00 0.00 0.49 0.00 0.00 106 L 8.97 5.07 0.00 1.64 1.57 0.93 0.53 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 0.00 107 L 9.08 4.78 0.00 1.60 1.85 1.01 0.68 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 0.00 108 A 8.90 4.62 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 *110 P 0.00 4.21 0.00 1.96 2.26 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 111 H 7.69 4.85 0.00 3.14 2.92 0.00 5.77 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 9.20 4.28 0.00 3.34 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.44 3.60 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 114 G 8.05 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 0.00 115 N 8.18 4.32 0.00 2.76 2.91 0.00 0.00 6.64 7.88 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 0.00 116 Q 8.03 3.97 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 117 T 8.22 4.08 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 118 A 8.26 4.35 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 0.00 0.00 119 L 8.06 3.80 0.00 1.87 1.91 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.17 3.92 0.00 2.26 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 2.32 2.58 0.00 121 Q 7.78 3.85 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 122 L 7.65 3.19 0.00 1.39 1.61 0.04 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.10 4.11 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 124 R 7.56 4.11 0.00 1.81 1.96 0.00 3.13 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 125 R 7.49 4.43 0.00 1.88 1.92 0.00 3.41 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 126 N 7.85 4.23 0.00 2.84 2.87 0.00 0.00 6.82 7.34 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 0.00 127 Y 7.26 4.23 0.00 2.91 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 0.00 128 K 7.96 4.16 0.00 1.55 1.65 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.27 7.81 129 G 5.38 3.74 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 0.00 0.00 0.00 130 Q 8.40 4.83 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 131 I 9.09 5.26 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.96 0.00 0.00 132 A 9.29 5.39 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 0.00 133 A 9.09 5.23 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 0.00 134 I 8.31 5.09 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.18 0.88 0.00 0.00 135 A 8.92 4.75 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 0.00 136 E 8.86 3.67 0.00 1.61 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 0.00 1.77 2.16 0.00 137 Y 8.01 5.04 0.00 3.17 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 0.00 138 P 0.00 4.28 0.00 2.24 2.17 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 139 D 8.16 4.59 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 0.00 140 Q 8.33 4.37 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 141 L 7.65 4.04 0.00 1.67 1.68 0.92 0.72 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 0.00 142 E 8.24 3.99 0.00 2.03 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 2.46 2.38 0.00 143 G 8.08 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 0.00 0.00 0.00 144 L 7.74 4.01 0.00 1.80 1.73 0.98 0.95 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 0.00 145 L 8.08 3.99 0.00 1.80 1.69 0.87 0.93 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 0.00 146 E 8.55 4.12 0.00 1.95 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 2.49 0.00 147 S 7.57 4.62 0.00 3.99 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 0.00 148 G 7.97 3.97 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 0.00 0.00 0.00 149 V 7.10 3.83 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 0.96 0.00 0.00 150 D 8.87 4.66 0.00 2.74 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 0.00 151 A 7.68 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.01 5.16 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 0.00 153 F 9.21 4.90 0.00 2.86 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 0.00 154 N 8.66 5.11 0.00 2.83 2.74 0.00 0.00 6.88 7.96 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 0.00 155 I 8.49 3.46 1.02 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.35 0.07 0.00 0.00 156 Y 7.61 4.07 0.00 3.19 3.06 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 0.00 157 S 8.70 4.22 0.00 3.95 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 0.00 158 E 8.32 3.98 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 159 A 8.31 4.12 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 0.00 160 G 8.05 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 0.00 0.00 0.00 161 S 7.87 4.23 0.00 3.96 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 0.00 162 G 8.20 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 0.00 163 F 8.41 4.51 0.00 3.17 3.37 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 0.00 164 A 7.95 3.60 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 0.00 165 R 7.97 3.89 0.00 2.04 1.93 0.00 3.07 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 166 H 7.82 4.36 0.00 3.47 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.79 3.48 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 0.91 0.00 0.00 0.61 0.00 0.00 168 C 7.91 4.02 0.00 2.98 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 0.00 169 K 7.84 3.94 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 170 Q 8.03 4.10 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 171 L 8.53 4.45 0.00 1.61 1.66 0.89 1.22 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 0.00 172 E 7.30 4.09 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 173 P 0.00 4.38 0.00 2.17 2.05 0.00 3.77 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 1.96 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.