NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2594 8.4444 121.4705 56.2053 30.4469 175.2472 13 E 4.1008 8.8248 126.7182 56.3507 30.3052 172.3792 14 E 4.7577 7.6529 117.4421 53.8164 33.0835 173.5129 15 P 4.5057 0.0000 0.0000 62.3031 32.3867 176.4056 16 R 4.1757 8.3055 118.2184 55.7401 30.9042 177.4340 17 L 4.0025 8.8159 123.7547 58.4227 42.1549 178.7664 18 S 4.2335 8.1693 112.5680 61.5279 63.3064 176.0384 19 Y 4.0961 7.8007 118.9774 58.1981 38.2162 177.5415 *21 I 3.9425 7.9441 120.3363 60.8346 39.3676 177.8529 22 A 3.8382 7.5464 121.7933 55.0580 17.9568 179.5761 23 R 3.6345 7.3318 116.5320 59.5444 30.1014 179.4717 24 V 3.4824 7.4969 117.0404 65.9558 31.6777 177.0072 25 D 4.2836 7.8644 117.8254 57.7519 40.9295 178.8242 26 R 3.9287 7.8981 118.1900 59.2722 30.0090 179.1527 27 I 3.7680 7.5467 119.6581 64.2512 37.0724 178.4342 28 I 3.6473 8.0763 121.1165 64.4767 36.9928 178.2134 29 S 4.1529 8.0873 113.7437 61.5522 62.2084 176.3511 30 K 4.0360 8.1458 121.0063 59.5765 31.7897 178.7723 31 Y 3.9907 8.2261 119.7939 60.7783 38.7948 177.9721 32 L 4.1830 8.6612 120.4065 58.0380 41.6029 179.3647 33 T 3.9234 8.4767 116.1459 66.8628 68.2240 176.2701 34 E 3.9476 7.7283 118.1826 59.9425 29.9814 178.9982 35 H 4.2204 8.1260 116.0422 58.7031 28.6878 177.9355 36 L 4.0511 8.2451 120.9064 57.1765 41.2806 179.0677 37 S 4.0727 7.7824 113.5734 61.7499 62.0251 176.4555 38 A 4.0284 7.4156 119.9970 54.3370 18.1595 178.5221 39 L 4.2467 7.9707 115.8379 53.8025 42.7110 176.1443 40 E 3.9375 8.3700 118.1384 57.1146 27.5019 174.5386 41 I 4.9557 7.3983 115.8419 58.3997 41.7819 174.9660 42 S 4.5285 9.0474 122.2382 57.5356 65.1609 175.0885 43 L 4.1185 8.5701 124.3241 58.3153 41.7955 177.5413 44 P 4.2868 0.0000 0.0000 65.7726 31.3127 178.6084 45 Q 4.0983 8.1481 116.6022 58.8161 28.5689 178.6840 46 F 4.2243 8.4602 121.6451 61.5906 39.4415 176.9862 47 T 3.2901 8.0278 115.5509 66.7400 68.3048 176.3078 48 A 3.9378 7.8520 123.5160 54.3958 18.3576 179.3944 49 L 3.9205 7.9673 118.9455 58.3993 42.3003 179.2327 50 S 4.0287 7.9091 113.2266 60.9930 62.2562 176.3275 51 V 3.5774 7.9190 121.5108 65.9820 31.0964 178.1414 52 L 4.1811 8.1959 117.4915 57.5058 41.4300 179.0414 53 A 4.0981 7.7908 120.2239 54.8363 18.3441 179.0237 54 A 4.3586 7.4531 117.0837 53.4590 19.8947 178.0973 55 K 4.5131 7.8716 116.5667 54.5232 33.4057 174.9811 56 P 4.5469 0.0000 0.0000 63.7559 31.7789 177.3417 57 N 4.9592 7.5306 114.6274 52.5103 39.2115 174.8700 58 L 4.0428 7.7465 119.4281 54.6641 42.3218 177.8952 59 S 4.3561 8.4581 118.0096 58.1238 65.1939 174.8430 60 N 4.1875 8.8754 119.9371 56.6865 38.0181 177.5621 61 A 3.9714 7.8361 121.4165 55.2357 18.7416 179.7786 62 K 3.9885 7.7293 116.0531 59.0083 32.0061 179.5708 63 L 3.8149 8.1079 120.8925 58.1575 42.0525 178.8185 64 A 3.9653 7.9849 120.7015 55.0571 17.8090 179.2956 65 E 3.8924 7.9572 117.7431 59.4985 29.6347 178.8857 66 R 3.9656 7.7481 115.3827 57.5477 30.1833 177.7975 67 S 3.9512 7.5640 114.2428 56.8615 63.5028 173.9543 68 F 3.8558 7.2927 119.0181 58.8455 36.5120 174.7570 69 I 4.6996 7.6368 111.7742 58.2666 40.5472 175.2953 70 K 4.0919 8.4008 120.6895 56.0005 32.1609 176.6822 71 P 4.2731 0.0000 0.0000 65.6167 31.4953 178.6034 72 Q 4.1313 8.0049 115.9132 58.4016 29.0674 177.5274 73 S 4.4578 8.6766 113.0336 58.9945 63.0304 175.9583 74 A 3.9688 7.5843 123.8119 55.2546 18.0890 179.3013 75 N 4.2443 8.1533 114.4913 56.5345 38.6833 177.4127 76 K 4.2167 7.8964 121.6866 58.9271 32.3283 178.8477 77 I 3.7727 7.7656 120.1865 64.1700 36.9698 178.2151 78 L 3.9750 7.8774 119.8423 58.1648 41.4562 179.5513 79 Q 4.0237 8.3381 117.9894 59.2088 28.6116 179.0284 80 D 4.4094 8.2435 119.7920 57.3292 40.8375 178.8319 81 L 4.1956 8.0145 119.5731 57.5731 41.5935 179.4564 82 L 4.0835 8.3244 119.1843 57.9268 41.4076 179.5166 83 A 3.8979 7.6941 119.1068 55.0326 18.4019 178.8219 84 N 3.9835 7.6706 112.7109 53.2722 38.3869 176.0219 85 G 3.8112 7.4762 108.3732 46.1100 0.0000 174.7125 86 W 5.0847 8.0395 121.8497 57.7471 30.3440 176.1231 87 I 5.2934 7.7784 111.1029 59.2366 40.8097 174.3899 88 E 4.8176 9.4408 121.1479 54.6279 33.7845 175.1784 89 K 4.9264 8.6690 121.5337 55.8585 33.7319 175.8995 90 A 4.7469 8.8135 123.7892 49.7729 23.0611 174.0341 91 P 4.6626 0.0000 0.0000 62.8166 31.0708 176.0228 92 D 4.7260 9.2892 124.1719 52.2052 41.5779 175.2713 93 P 4.3252 0.0000 0.0000 64.6699 31.0024 177.5110 94 T 3.9260 7.2859 107.4561 61.9544 69.1213 172.5163 95 H 4.8412 8.5056 119.4233 55.8277 30.1166 174.6682 96 G 4.1288 9.2094 111.4479 45.0189 0.0000 173.6686 97 R 4.6905 6.9258 113.8878 54.5421 32.5475 175.7409 98 R 4.4801 8.4934 118.9543 57.0355 32.7722 176.1395 99 I 4.8678 7.5577 118.4830 59.3633 39.9304 175.6186 100 L 4.4308 9.3690 127.9222 54.1267 43.3304 175.9129 101 V 4.7579 7.9200 122.5895 61.6005 33.3620 175.1402 102 T 4.6486 8.9396 117.6017 59.5874 71.6232 173.1470 103 V 4.3523 8.5227 126.6560 62.9062 32.1795 175.8047 104 T 4.2713 8.8215 118.8814 60.6018 70.1506 173.8617 105 P 4.3341 0.0000 0.0000 66.0685 31.1387 178.9048 106 S 4.3365 8.2032 111.5490 61.1334 62.4063 176.2302 107 G 3.6821 8.2604 108.6975 47.8491 0.0000 175.7641 108 L 4.0212 8.6407 121.8153 57.2686 41.6273 178.9769 109 D 4.2803 8.2152 118.1091 57.2738 41.2253 178.1974 110 K 3.7267 8.0725 120.1274 59.4530 31.9889 178.3919 111 L 3.9670 7.8996 120.5436 58.1853 41.8403 178.4928 112 N 4.3102 8.2890 117.1170 56.5975 38.5558 176.9904 113 Q 3.9489 8.0143 119.7064 59.0581 28.6959 178.4149 114 C 3.8069 7.9609 117.7806 62.6469 28.0446 175.8547 115 N 4.3512 8.4624 118.4125 56.3614 38.0916 177.4772 116 Q 4.0086 7.8321 119.8112 58.5850 28.6738 178.8017 117 V 3.5288 7.3188 119.2547 65.9354 31.5250 178.0690 118 V 3.5174 7.8835 118.2715 66.3952 31.2620 178.0715 119 Q 3.9691 8.2235 117.4728 58.8819 28.4828 178.7967 120 Q 3.9723 7.8617 118.9148 58.5574 28.5332 178.1398 121 L 3.2319 7.7186 120.5757 58.1674 42.1057 178.7399 122 E 3.9572 8.1231 117.0671 58.9949 29.4068 178.7607 123 A 4.1728 7.8586 120.2311 55.2080 18.6128 179.9418 124 Q 4.0506 7.8385 113.8496 57.1582 28.6962 176.9412 *126 L 4.2631 7.6411 116.4575 53.6833 43.1692 175.8168 127 Q 4.0723 7.7195 120.3871 57.7667 28.8361 176.6058 128 G 3.8735 8.9098 113.5822 46.4216 0.0000 172.5103 129 V 4.2872 7.6292 118.9289 59.8099 33.7367 175.3842 130 D 4.3708 8.7869 125.7167 55.0284 42.4223 177.0347 131 I 3.7764 8.5688 125.8098 64.4242 37.9535 177.6585 132 N 4.5725 8.8662 117.5318 55.7489 38.2846 177.2248 133 L 3.9416 7.9355 121.4549 58.0343 42.3550 178.3862 134 A 3.9377 7.9420 120.7352 55.4498 18.1995 179.7167 135 F 3.9178 8.2206 115.8222 60.3321 39.0447 177.6156 136 L 4.0012 8.2401 120.1375 58.3265 41.7426 179.2508 137 I 3.6705 8.1714 119.9321 64.3247 37.0971 178.0585 138 R 3.8393 7.8855 119.5415 59.8457 29.7820 178.2000 139 N 4.3958 8.3529 115.9146 56.4922 38.3163 177.2740 140 N 4.4174 8.1609 116.9204 56.0120 38.6505 176.9835 141 L 4.1204 8.0350 120.2509 58.0909 42.0522 179.1502 142 E 4.1725 8.0645 117.8327 58.9999 29.3571 179.6566 143 L 4.0417 7.6557 118.9978 55.1389 42.1681 179.0371 *145 V 3.9543 7.7590 117.1395 62.4506 32.9428 177.1129 146 K 3.8967 8.0538 118.9532 59.7600 32.0783 179.1346 147 N 4.3687 8.5934 115.0715 55.8521 38.4912 175.8830 148 L 4.5705 7.4590 115.2930 54.6139 41.9470 177.6616 149 S 4.2091 7.7702 116.7050 61.8089 62.9334 174.4002 150 T 4.0222 8.0528 117.5119 62.6270 66.8757 172.9760 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 12 E 8.44 4.26 0.00 1.95 1.94 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 2.19 2.31 0.00 13 E 8.82 4.10 0.00 2.04 1.94 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 2.25 2.40 0.00 14 E 7.65 4.76 0.00 1.94 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 2.17 0.00 15 P 0.00 4.51 0.00 2.46 2.12 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 16 R 8.31 4.18 0.00 1.95 1.93 0.00 3.52 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 17 L 8.82 4.00 0.00 1.59 1.73 0.91 0.93 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 8.17 4.23 0.00 4.05 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 19 Y 7.80 4.10 0.00 3.06 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 *21 I 7.94 3.94 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.83 0.00 0.00 22 A 7.55 3.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.33 3.63 0.00 1.54 1.84 0.00 3.15 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.00 24 V 7.50 3.48 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 1.03 0.00 0.00 0.86 0.00 0.00 25 D 7.86 4.28 0.00 2.72 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 26 R 7.90 3.93 0.00 1.84 1.94 0.00 3.31 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 27 I 7.55 3.77 1.86 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 1.51 0.82 0.95 0.00 0.00 28 I 8.08 3.65 2.04 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 1.29 0.55 0.90 0.00 0.00 29 S 8.09 4.15 0.00 3.92 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 30 K 8.15 4.04 0.00 2.11 1.89 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.62 7.81 31 Y 8.23 3.99 0.00 3.21 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 32 L 8.66 4.18 0.00 1.81 1.81 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.48 3.92 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 1.24 0.00 0.00 34 E 7.73 3.95 0.00 1.97 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 2.49 2.43 0.00 35 H 8.13 4.22 0.00 3.18 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.25 4.05 0.00 1.76 1.87 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.78 4.07 0.00 3.84 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.42 4.03 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 39 L 7.97 4.25 0.00 1.68 1.64 0.77 0.83 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 40 E 8.37 3.94 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 41 I 7.40 4.96 1.81 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.81 0.00 0.00 42 S 9.05 4.53 0.00 4.18 4.05 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 0.00 0.00 0.00 43 L 8.57 4.12 0.00 1.88 1.82 1.17 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 44 P 0.00 4.29 0.00 2.25 2.13 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 45 Q 8.15 4.10 0.00 2.45 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 46 F 8.46 4.22 0.00 3.02 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.03 3.29 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 0.85 0.00 0.00 48 A 7.85 3.94 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 49 L 7.97 3.92 0.00 1.94 1.84 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.91 4.03 0.00 3.67 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 51 V 7.92 3.58 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 0.88 0.00 0.00 0.75 0.00 0.00 52 L 8.20 4.18 0.00 1.65 1.71 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.79 4.10 1.35 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 0.00 0.00 54 A 7.45 4.36 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 55 K 7.87 4.51 0.00 1.87 1.66 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 56 P 0.00 4.55 0.00 2.17 2.18 0.00 3.54 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 2.10 2.09 0.00 57 N 7.53 4.96 0.00 2.64 2.80 0.00 0.00 6.96 7.61 0.00 0.00 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 L 7.75 4.04 0.00 1.61 1.59 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.46 4.36 0.00 4.04 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 60 N 8.88 4.19 0.00 2.82 2.93 0.00 0.00 6.74 7.27 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 61 A 7.84 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.99 0.00 1.87 1.85 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 L 8.11 3.81 0.00 1.80 1.80 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.98 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.96 3.89 0.00 2.01 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 0.00 2.36 2.38 0.00 66 R 7.75 3.97 0.00 1.66 1.79 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 67 S 7.56 3.95 0.00 3.74 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 68 F 7.29 3.86 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.64 4.70 1.89 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 1.43 0.67 0.98 0.00 0.00 70 K 8.40 4.09 0.00 1.86 2.22 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.49 7.81 71 P 0.00 4.27 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 72 Q 8.00 4.13 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 73 S 8.68 4.46 0.00 3.93 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 74 A 7.58 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.15 4.24 0.00 2.74 2.89 0.00 0.00 6.73 8.30 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 76 K 7.90 4.22 0.00 1.87 1.95 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.46 7.81 77 I 7.77 3.77 2.02 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 1.68 0.70 0.94 0.00 0.00 78 L 7.88 3.98 0.00 1.89 1.73 0.94 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 79 Q 8.34 4.02 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 80 D 8.24 4.41 0.00 2.92 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 81 L 8.01 4.20 0.00 1.91 1.91 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.32 4.08 0.00 1.76 1.68 0.91 0.60 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 83 A 7.69 3.90 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 84 N 7.67 3.98 0.00 1.44 1.42 0.00 0.00 7.06 6.93 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 85 G 7.48 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.04 5.08 0.00 3.44 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.78 5.29 1.99 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 1.33 0.69 0.99 0.00 0.00 88 E 9.44 4.82 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 89 K 8.67 4.93 0.00 1.63 1.72 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.38 7.81 90 A 8.81 4.75 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 91 P 0.00 4.66 0.00 1.94 1.99 0.00 3.65 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 2.02 2.08 0.00 92 D 9.29 4.73 0.00 2.63 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 93 P 0.00 4.33 0.00 2.04 2.06 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 94 T 7.29 3.93 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 95 H 8.51 4.84 0.00 3.17 3.27 0.00 5.66 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 96 G 9.21 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 6.93 4.69 0.00 1.86 1.83 0.00 3.14 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 98 R 8.49 4.48 0.00 1.71 1.93 0.00 3.22 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 99 I 7.56 4.87 1.87 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 1.34 0.88 0.91 0.00 0.00 100 L 9.37 4.43 0.00 1.73 1.57 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.92 4.76 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 0.79 0.00 0.00 0.93 0.00 0.00 102 T 8.94 4.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 103 V 8.52 4.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 104 T 8.82 4.27 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 1.31 0.00 0.00 105 P 0.00 4.33 0.00 2.21 2.18 0.00 3.63 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 2.14 2.18 0.00 106 S 8.20 4.34 0.00 3.99 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 0.00 107 G 8.26 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 0.00 108 L 8.64 4.02 0.00 1.66 1.73 0.94 0.92 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 0.00 109 D 8.22 4.28 0.00 2.90 2.84 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 0.00 110 K 8.07 3.73 0.00 1.57 1.40 0.00 1.14 0.00 0.00 1.29 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.79 7.81 111 L 7.90 3.97 0.00 1.96 1.77 1.07 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.29 4.31 0.00 2.92 2.95 0.00 0.00 7.21 6.32 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 0.00 113 Q 8.01 3.95 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 114 C 7.96 3.81 0.00 2.68 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 0.00 115 N 8.46 4.35 0.00 2.90 2.89 0.00 0.00 7.03 7.67 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 0.00 116 Q 7.83 4.01 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 117 V 7.32 3.53 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 1.06 0.00 0.00 0.92 0.00 0.00 118 V 7.88 3.52 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.07 0.00 0.00 119 Q 8.22 3.97 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 Q 7.86 3.97 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 121 L 7.72 3.23 0.00 0.79 1.60 -0.22 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.12 3.96 0.00 1.88 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 2.22 2.46 0.00 123 A 7.86 4.17 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 0.00 124 Q 7.84 4.05 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 *126 L 7.64 4.26 0.00 1.73 1.66 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.72 4.07 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 128 G 8.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.63 4.29 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 0.79 0.00 0.00 0.91 0.00 0.00 130 D 8.79 4.37 0.00 2.79 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 0.00 131 I 8.57 3.78 1.94 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 1.81 1.39 0.97 0.00 0.00 132 N 8.87 4.57 0.00 2.89 2.89 0.00 0.00 6.53 6.79 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 0.00 133 L 7.94 3.94 0.00 1.77 1.88 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.94 3.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.22 3.92 0.00 3.15 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.24 4.00 0.00 1.95 1.91 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.17 3.67 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.87 0.00 0.00 138 R 7.89 3.84 0.00 1.85 2.08 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 139 N 8.35 4.40 0.00 2.98 2.88 0.00 0.00 7.10 6.47 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 0.00 140 N 8.16 4.42 0.00 2.90 2.88 0.00 0.00 7.08 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 0.00 141 L 8.03 4.12 0.00 1.79 1.73 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.06 4.17 0.00 2.24 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 2.47 0.00 143 L 7.66 4.04 0.00 1.75 1.83 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *145 V 7.76 3.95 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 0.96 0.00 0.00 1.01 0.00 0.00 146 K 8.05 3.90 0.00 2.03 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.59 7.81 147 N 8.59 4.37 0.00 2.73 2.88 0.00 0.00 7.05 7.89 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 0.00 148 L 7.46 4.57 0.00 1.64 1.68 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.77 4.21 0.00 3.89 3.93 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 0.00 150 T 8.05 4.02 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 * Residues marked with a * may have inaccurate shift predictions.