NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3842 8.3349 115.2928 57.6327 64.2707 174.5386 7 P 4.2623 0.0000 0.0000 62.0954 31.9087 175.4498 8 K 4.3540 9.8141 121.0584 57.7022 33.2106 178.9749 9 R 3.7829 8.4065 120.0175 59.3064 29.8653 176.3578 10 P 4.0570 0.0000 0.0000 65.8328 31.3327 178.2406 11 Y 3.9725 8.1061 115.0735 60.7625 37.8455 177.8698 12 L 4.2132 8.1364 121.3185 57.9626 42.1612 178.7502 13 L 4.3441 8.2629 120.6556 58.5296 42.1127 179.2280 14 R 3.9875 8.1632 117.7459 59.0450 29.9137 179.0124 15 A 4.1020 8.3615 120.6688 55.5878 18.4865 179.3720 16 Y 3.9453 8.6168 115.4654 61.1143 37.8577 177.9161 17 Y 4.0343 8.7028 120.9187 61.0307 38.8726 178.1484 18 D 4.4311 8.4986 119.6476 57.1690 40.8120 178.6105 19 W 4.0696 8.3996 128.9079 60.3153 30.6080 177.9304 20 L 3.8080 8.6442 119.3678 57.7339 41.1042 179.5116 21 V 3.3455 7.6030 117.9621 66.2486 31.2782 177.8522 22 D 4.3531 8.0343 117.2187 56.6370 40.5733 177.5734 23 N 4.2329 6.7216 114.8457 51.9463 38.6640 174.8951 24 S 3.6345 7.6481 115.3539 59.6231 60.7274 170.9192 25 F 5.2249 7.6039 117.7963 56.4187 41.0452 176.0833 26 T 4.4364 9.2365 119.7061 61.7873 69.6847 172.4485 27 P 4.8216 0.0000 0.0000 62.8054 32.8404 174.6275 28 Y 5.0548 8.9163 123.3668 55.9412 40.4503 174.3473 29 L 5.0083 8.9052 126.5985 53.2839 44.7455 175.0157 30 V 4.5559 9.0431 127.2534 61.9220 33.0962 174.5627 31 V 4.7288 9.0253 128.3245 61.2808 34.4425 174.3560 32 D 5.1982 9.2268 128.2810 52.6447 40.2850 176.4269 33 A 4.3454 8.4585 121.7103 53.1610 18.3118 178.2982 34 T 4.3867 8.2807 114.6453 64.7537 69.9036 174.9494 35 Y 4.1619 8.1130 122.6400 56.8102 39.4157 174.9429 36 L 3.8994 7.0897 124.2818 56.1673 41.8988 177.9626 37 G 4.0978 8.9694 112.2837 44.8829 0.0000 173.5696 38 V 3.8666 7.1125 118.4623 63.2774 32.6652 175.6591 39 N 4.9450 9.4937 125.3832 51.9944 40.4742 173.1041 40 V 4.6730 7.9484 116.3117 58.2582 36.7372 173.3283 41 P 4.1521 0.0000 0.0000 62.8271 31.0215 178.0211 42 V 3.7784 8.3567 118.0543 63.6574 31.6868 178.5313 43 E 3.9786 8.1670 118.3905 58.5472 29.4288 177.0852 44 Y 4.6645 8.1005 114.8986 57.4781 38.4382 175.1789 45 V 4.2632 7.4078 119.7454 61.1865 32.4644 175.1794 46 K 4.4254 8.4631 127.3065 55.6691 34.6253 175.7323 47 D 4.2632 9.5596 127.5268 56.4561 38.4650 173.6543 48 G 4.0393 7.8649 100.3511 45.7953 0.0000 173.0348 49 Q 4.7683 7.4813 114.4388 55.1066 33.7076 172.9470 50 I 4.9216 8.6638 126.3188 59.1480 41.9230 173.8363 51 V 4.8224 8.4829 127.2812 61.2638 33.2524 174.5940 52 L 4.6342 8.9335 128.1366 53.0026 44.7961 175.0656 53 N 4.8096 8.3248 120.5157 52.2763 39.5911 174.2079 54 L 4.4236 8.5373 126.1446 54.2913 42.4839 177.2836 55 S 4.2527 8.3729 114.1564 57.8844 63.8916 174.3174 56 A 4.1404 8.7749 124.2169 55.6318 18.2982 179.8960 57 S 3.9856 8.2866 108.2460 61.4979 62.3176 174.7564 58 A 4.4609 7.5817 119.6784 52.2394 18.4463 176.7523 59 T 5.0373 7.8402 106.1975 60.0458 72.0437 173.5735 60 G 4.0628 8.6498 111.5655 45.0448 0.0000 172.7579 61 N 4.1953 8.9125 122.1165 54.3329 37.3738 174.0735 62 L 4.5938 7.8106 119.0034 55.1768 43.5224 176.4240 63 Q 4.4320 9.4739 124.2204 54.6190 31.6608 174.3482 64 L 4.7725 8.4956 124.4310 53.3752 40.7090 176.3120 65 T 4.1189 8.3064 121.0339 61.8301 69.8670 176.2170 66 N 4.3623 8.2368 119.8005 55.7281 38.7279 176.1979 67 D 4.7083 7.4319 116.3911 55.2727 42.3330 175.6638 68 F 4.8585 6.6222 112.7051 56.1623 41.7376 172.9741 69 I 5.0530 8.8805 120.4362 59.8280 39.8075 174.9144 70 Q 5.2683 8.9372 126.6353 55.0197 32.9496 173.1952 71 F 5.0643 8.5864 119.0464 56.4546 42.1335 172.2310 72 N 5.2581 9.2012 117.9537 52.2944 39.8617 174.3913 73 A 5.1607 9.3501 125.5462 49.9919 22.9282 174.5005 74 R 4.8283 8.5726 119.9692 54.6373 32.5115 175.3168 75 F 4.2658 9.0112 125.4218 56.1671 39.8752 175.2683 76 K 3.8755 9.3377 128.1752 57.3697 28.8165 177.1728 77 G 4.0337 8.0930 105.0065 45.9048 0.0000 173.7668 78 V 4.1200 7.1091 121.0066 61.4153 29.4824 175.0684 79 S 4.7084 8.1276 119.5191 58.5400 64.0647 173.4510 80 R 4.4942 9.1093 119.4882 55.6859 33.1848 172.7783 81 E 4.8178 8.5841 120.2109 54.9199 31.2130 174.8198 82 L 4.8278 8.5952 126.1780 52.9359 44.9021 174.6568 83 Y 5.0554 8.5458 124.0257 55.7946 41.9710 174.2113 84 I 4.5621 8.2807 126.9002 58.0490 40.6917 173.7095 85 P 4.7664 0.0000 0.0000 61.8572 33.2206 180.0283 *87 G 2.4259 8.9101 114.5867 45.5023 0.0000 172.5946 88 A 3.9942 7.2176 120.7342 52.5117 20.2008 176.9093 89 A 4.2995 7.4896 117.6461 52.1503 18.1822 177.2457 90 L 4.4944 9.1078 123.5203 57.3764 43.0402 177.0150 91 A 3.9463 7.6120 117.3004 51.1943 22.8928 175.0270 92 I 5.1056 7.9609 119.1417 59.7910 41.7763 173.5996 93 Y 5.3466 8.4907 125.8271 55.6106 42.3766 173.3846 94 A 4.6047 9.2095 122.5346 51.4478 19.0463 178.8370 95 R 3.7506 8.5274 123.8807 59.2691 30.1124 177.9129 96 E 4.1237 8.1362 117.1241 58.4846 29.7069 177.3517 97 N 4.6229 7.8691 111.2400 52.7756 40.4422 175.4554 98 G 3.6216 8.7160 108.2315 45.4153 0.0000 173.6976 99 D 4.4035 7.9252 120.4564 53.9333 42.2143 175.2801 100 G 4.2688 7.8054 113.5663 46.6258 0.0000 170.5547 101 V 3.6882 6.9216 116.8301 60.1452 33.8189 174.1202 *103 F 4.8938 8.5242 123.3713 58.1159 39.9996 174.4125 104 E 4.1939 8.8368 126.1183 54.9423 30.2258 174.5547 105 P 4.4975 0.0000 0.0000 62.8787 32.0243 175.3779 106 E 4.5579 8.7205 120.9826 54.2442 32.1488 175.0363 107 E 4.3923 8.7585 124.5667 56.4755 28.3366 175.2016 108 I 4.5460 7.5237 135.0000 61.7338 39.1198 173.8328 109 Y 4.9222 7.6271 116.3671 58.0030 38.2322 174.4879 110 D 4.8561 7.8922 121.0995 52.5744 42.4677 176.6496 111 E 4.2090 8.9169 126.9171 59.0811 29.8042 178.8595 112 L 4.0447 8.6892 118.5074 57.3497 41.6854 177.5030 113 N 4.7300 8.5136 113.6787 53.1018 39.0028 174.7939 114 I 4.3010 7.1269 120.3235 59.5840 38.3354 175.6448 115 E 3.9461 8.8390 124.1837 55.8817 29.8496 174.8303 116 P 4.1035 0.0000 0.0000 63.2361 31.2256 175.7572 117 D 4.5932 8.6807 123.1551 55.4371 41.7803 176.1790 118 T 4.6941 7.4004 107.3038 59.8864 71.7417 173.3296 119 E 4.3975 8.5007 122.9345 55.3740 30.7827 176.4888 120 Q 4.0522 8.2989 119.7714 55.0622 29.3007 174.4221 121 P 4.2298 0.0000 0.0000 63.5133 30.9385 175.8754 122 T 4.6785 8.0898 113.0787 59.0835 72.1507 175.4529 123 G 3.6726 9.0306 113.0960 45.8013 0.0000 175.2206 124 F 5.2183 8.6938 131.3120 59.5796 39.9777 172.7304 125 Y 4.2058 8.0228 121.4943 57.9461 39.4370 175.5040 126 E 4.1063 7.2246 123.5779 56.9367 30.4966 175.1583 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 6 S 8.33 4.38 0.00 3.83 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 7 P 0.00 4.26 0.00 2.16 1.51 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 8 K 9.81 4.35 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.40 7.81 9 R 8.41 3.78 0.00 2.19 2.07 0.00 2.62 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.83 0.00 10 P 0.00 4.06 0.00 2.02 1.87 0.00 3.96 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 11 Y 8.11 3.97 0.00 3.20 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 12 L 8.14 4.21 0.00 2.08 1.96 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.26 4.34 0.00 1.51 1.71 0.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.16 3.99 0.00 1.90 1.98 0.00 3.07 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 15 A 8.36 4.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.62 3.95 0.00 3.42 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 17 Y 8.70 4.03 0.00 3.32 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 18 D 8.50 4.43 0.00 3.01 2.79 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 19 W 8.40 4.07 0.00 3.37 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.64 3.81 0.00 1.84 1.69 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.60 3.35 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 0.99 0.00 0.00 0.46 0.00 0.00 22 D 8.03 4.35 0.00 2.53 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 23 N 6.72 4.23 0.00 1.75 1.42 0.00 0.00 7.05 7.46 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 24 S 7.65 3.63 0.00 3.64 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 25 F 7.60 5.22 0.00 2.76 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 26 T 9.24 4.44 4.18 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 1.35 0.00 0.00 27 P 0.00 4.82 0.00 2.11 2.02 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.49 0.00 28 Y 8.92 5.05 0.00 2.17 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 0.00 0.00 0.00 0.00 29 L 8.91 5.01 0.00 1.72 1.50 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.04 4.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.10 0.00 0.00 31 V 9.03 4.73 2.22 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 0.89 0.00 0.00 0.97 0.00 0.00 32 D 9.23 5.20 0.00 2.84 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 33 A 8.46 4.35 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 34 T 8.28 4.39 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 Y 8.11 4.16 0.00 3.10 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 36 L 7.09 3.90 0.00 1.47 1.52 0.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.97 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 0.00 0.00 0.00 38 V 7.11 3.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.14 0.00 0.00 39 N 9.49 4.94 0.00 2.82 2.70 0.00 0.00 6.89 7.32 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 40 V 7.95 4.67 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 0.76 0.00 0.00 0.93 0.00 0.00 41 P 0.00 4.15 0.00 1.84 1.83 0.00 3.14 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.68 0.00 42 V 8.36 3.78 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 0.86 0.00 0.00 0.91 0.00 0.00 43 E 8.17 3.98 0.00 1.69 1.69 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 2.23 2.32 0.00 44 Y 8.10 4.66 0.00 2.97 3.12 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 45 V 7.41 4.26 2.23 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 0.78 0.00 0.00 1.02 0.00 0.00 46 K 8.46 4.43 0.00 1.84 1.65 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.39 7.81 47 D 9.56 4.26 0.00 2.85 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 48 G 7.86 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 49 Q 7.48 4.77 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 50 I 8.66 4.92 1.95 0.00 0.00 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 1.20 1.01 0.97 0.00 0.00 51 V 8.48 4.82 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 0.81 0.00 0.00 1.04 0.00 0.00 52 L 8.93 4.63 0.00 1.61 1.66 1.19 0.53 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 53 N 8.32 4.81 0.00 2.40 2.56 0.00 0.00 6.95 7.78 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 54 L 8.54 4.42 0.00 1.75 1.73 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.37 4.25 0.00 3.97 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 56 A 8.77 4.14 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 S 8.29 3.99 0.00 3.83 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 58 A 7.58 4.46 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.84 5.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 60 G 8.65 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 0.00 0.00 0.00 0.00 61 N 8.91 4.20 0.00 2.86 2.90 0.00 0.00 7.08 7.78 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 62 L 7.81 4.59 0.00 1.62 1.52 0.78 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 9.47 4.43 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 64 L 8.50 4.77 0.00 1.31 1.45 0.12 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.31 4.12 3.38 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 0.54 0.00 0.00 66 N 8.24 4.36 0.00 2.60 2.84 0.00 0.00 6.86 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 67 D 7.43 4.71 0.00 2.54 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 68 F 6.62 4.86 0.00 2.94 2.92 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 69 I 8.88 5.05 1.92 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 1.09 0.62 1.08 0.00 0.00 70 Q 8.94 5.27 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 71 F 8.59 5.06 0.00 3.32 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 72 N 9.20 5.26 0.00 2.82 2.83 0.00 0.00 7.04 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 73 A 9.35 5.16 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 74 R 8.57 4.83 0.00 1.82 1.79 0.00 3.19 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 75 F 9.01 4.27 0.00 2.89 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.34 3.88 0.00 2.08 1.96 0.00 2.07 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.65 7.81 77 G 8.09 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.11 4.12 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 0.81 0.00 0.00 1.06 0.00 0.00 79 S 8.13 4.71 0.00 3.82 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 80 R 9.11 4.49 0.00 1.75 1.97 0.00 2.50 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 81 E 8.58 4.82 0.00 1.95 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 2.16 2.27 0.00 82 L 8.60 4.83 0.00 0.61 1.10 0.75 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.55 5.06 0.00 2.90 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 84 I 8.28 4.56 1.81 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 1.21 0.54 0.82 0.00 0.00 85 P 0.00 4.77 0.00 2.09 1.73 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.06 0.00 *87 G 8.91 2.43 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 88 A 7.22 3.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.49 4.30 1.12 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 90 L 9.11 4.49 0.00 1.67 1.77 0.96 0.75 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 91 A 7.61 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.96 5.11 2.03 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 1.39 1.61 0.97 0.00 0.00 93 Y 8.49 5.35 0.00 3.16 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 94 A 9.21 4.60 0.90 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 95 R 8.53 3.75 0.00 0.82 1.59 0.00 3.25 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 96 E 8.14 4.12 0.00 1.88 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 2.40 2.36 0.00 97 N 7.87 4.62 0.00 2.67 2.72 0.00 0.00 6.13 7.00 0.00 0.00 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 G 8.72 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.93 4.40 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.81 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 0.00 0.00 0.00 0.00 101 V 6.92 3.69 1.52 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 0.21 0.00 0.00 -0.60 0.00 0.00 *103 F 8.52 4.89 0.00 3.07 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 0.00 104 E 8.84 4.19 0.00 1.99 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 2.34 2.33 0.00 105 P 0.00 4.50 0.00 2.28 2.12 0.00 3.80 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 2.03 2.03 0.00 106 E 8.72 4.56 0.00 1.91 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 2.29 2.52 0.00 107 E 8.76 4.39 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 108 I 7.52 4.55 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.22 0.00 0.00 109 Y 7.63 4.92 0.00 3.16 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 0.00 110 D 7.89 4.86 0.00 2.75 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 0.00 111 E 8.92 4.21 0.00 1.96 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 2.33 0.00 112 L 8.69 4.04 0.00 1.94 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.51 4.73 0.00 2.76 2.85 0.00 0.00 7.01 7.32 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 0.00 114 I 7.13 4.30 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.95 0.00 0.00 115 E 8.84 3.95 0.00 1.98 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 2.34 2.38 0.00 116 P 0.00 4.10 0.00 2.04 2.07 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 117 D 8.68 4.59 0.00 2.63 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 0.00 118 T 7.40 4.69 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 0.00 119 E 8.50 4.40 0.00 1.99 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 2.29 2.33 0.00 120 Q 8.30 4.05 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 121 P 0.00 4.23 0.00 2.05 2.07 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 122 T 8.09 4.68 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 0.00 123 G 9.03 3.67 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 0.00 0.00 0.00 124 F 8.69 5.22 0.00 3.12 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 0.00 125 Y 8.02 4.21 0.00 3.17 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 0.00 126 E 7.22 4.11 0.00 1.70 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 2.15 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.