NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7683 8.1933 115.3972 57.7119 64.5866 174.4567 2 L 4.2057 8.5608 121.0873 57.6107 41.2987 178.5672 3 I 3.8202 8.6675 120.8796 64.5213 37.4219 178.0027 4 Q 4.1199 7.8617 118.7212 58.6751 28.4897 178.3866 5 F 4.5418 8.4993 121.9055 61.4245 39.4983 176.6128 6 E 3.8170 8.4962 119.0061 59.6654 29.2659 179.0368 7 T 3.9204 7.8543 115.3765 66.7733 68.5028 176.7110 8 L 3.9349 8.3260 121.1844 57.7532 41.4781 179.7463 9 I 3.7220 7.7994 119.9289 64.4720 36.9123 178.1199 10 M 4.2457 8.0169 120.3903 58.0570 31.8541 178.4945 11 K 3.9835 8.1172 117.7621 59.1714 32.3229 179.1075 12 V 3.8619 7.8645 116.9504 65.1735 31.9805 176.7626 13 A 4.3065 8.1414 118.1844 51.5500 19.4854 176.8128 14 K 4.2460 7.6487 114.0251 55.9187 29.5515 174.8460 *16 K 4.6290 7.5244 114.7491 56.3840 33.6510 175.4647 17 S 4.8453 8.5280 115.4702 57.6974 64.2731 175.5796 18 G 3.7061 9.1855 115.9563 48.2625 0.0000 175.9054 19 M 4.2190 8.4344 119.7346 58.2397 32.3491 177.8686 20 F 4.0127 8.2915 116.9563 58.8239 39.3045 176.9674 21 W 5.0164 8.2830 116.1421 56.6864 30.1957 176.1475 22 Y 4.9539 8.2897 115.0248 57.5851 38.8456 176.1163 23 S 4.6909 8.4640 115.3125 59.2218 64.7307 174.0814 24 N 4.6622 6.9176 119.9510 52.5283 39.0382 172.8918 25 Y 4.7261 8.3204 121.0886 56.5154 41.5090 175.8425 26 G 3.7763 8.4176 117.4382 45.9247 0.0000 172.5431 27 C 4.4055 8.8438 114.5679 58.9545 40.6941 174.6729 28 Y 4.3376 8.6889 115.0736 58.1021 39.8928 175.6441 29 C 4.7378 8.5795 118.3466 55.4132 38.7160 173.3310 30 G 4.3092 7.7426 111.6165 44.7592 0.0000 169.1277 31 W 4.0778 8.6117 129.6124 57.9577 31.6351 178.0013 32 G 3.7714 8.0276 113.8099 46.9572 0.0000 172.5086 33 G 4.0040 7.6581 110.5522 45.1008 0.0000 171.0189 34 Q 4.4276 6.8946 118.8412 55.4704 33.6354 175.5461 35 G 3.8250 8.5978 106.4495 44.9973 0.0000 172.6096 36 R 4.4727 8.2462 117.3912 54.1732 31.2855 174.7153 37 P 4.5300 0.0000 0.0000 63.2499 31.6310 176.7354 38 Q 4.0357 9.0277 123.3478 58.2284 29.2119 175.1283 39 D 4.4375 7.1412 114.6840 51.4592 41.9076 175.1761 40 A 3.9653 8.7354 119.6580 56.0015 18.4288 179.8253 41 T 4.0075 8.0129 113.8085 67.0875 68.6018 176.0973 42 D 4.5572 8.6706 119.8051 57.4476 41.1375 178.2947 43 R 3.9405 8.3204 119.3843 59.4619 30.0736 177.7521 44 C 4.1857 8.3869 116.5064 60.3137 40.4515 175.5463 45 C 4.3754 8.3890 117.6173 59.7539 40.8275 175.8236 46 F 3.8172 8.3732 122.4268 61.2940 38.8487 177.4356 47 V 3.1682 7.9300 117.9541 65.9512 31.2841 177.4214 48 H 3.7718 7.9603 118.0136 59.1206 29.6051 176.9370 49 D 4.0895 8.0501 120.8352 57.5142 40.4198 178.2327 50 C 4.0680 7.5155 115.6845 59.8943 34.6379 174.9605 51 C 4.2412 8.2298 120.4420 59.9721 43.9388 175.2546 52 Y 4.2082 7.9333 118.3662 61.1151 37.1959 178.9316 53 G 3.6542 7.9966 105.5342 47.1824 0.0000 174.9794 54 K 4.3483 7.4842 117.7809 55.7392 32.5280 176.9625 55 V 3.7528 7.2375 120.6988 62.5517 31.9801 175.0858 56 T 4.3804 8.3640 123.9276 61.8158 70.5699 175.1748 *59 G 4.4286 8.7887 113.9807 45.4973 0.0000 170.8132 *61 C 4.9002 7.5854 113.2332 55.1985 44.2004 171.8379 *67 D 5.0392 8.0750 116.6290 53.6184 41.0697 174.1978 68 P 4.0404 0.0000 0.0000 65.1830 31.8750 178.3841 69 K 4.2834 8.5021 118.2147 59.6972 32.2877 179.0062 70 M 4.1632 8.1638 115.9564 57.4184 32.7211 177.0687 71 D 4.4748 7.9857 117.3933 54.1651 41.5305 175.7088 72 V 4.2279 8.2140 122.4183 61.3624 32.7357 174.8963 73 Y 4.8169 8.0809 125.3300 55.4566 40.4469 174.2915 74 S 5.1332 8.4336 113.8077 56.8548 65.5143 172.3134 75 F 5.6052 8.1602 118.4092 56.1383 40.6242 172.8761 76 S 4.7787 9.1832 113.4808 56.9011 66.9845 172.2766 77 E 5.1519 8.6655 119.9774 54.9713 30.8702 175.3532 78 E 4.6168 9.4468 123.4610 56.3782 32.9761 174.2038 79 N 4.3158 9.9544 120.0370 54.2602 36.3919 174.7312 80 G 3.8845 8.8828 102.4618 46.1372 0.0000 173.3182 81 D 4.7477 8.1844 117.7621 52.1799 44.6592 173.7367 82 I 4.6337 8.1787 123.2971 60.4458 38.3782 175.5044 83 V 4.3359 8.8390 127.8997 61.1232 33.3989 174.0681 84 C 4.9820 8.9056 126.3296 57.1259 40.6088 173.6911 85 G 3.6826 9.1349 112.5875 47.1299 0.0000 171.7627 86 G 3.9367 8.8939 108.2586 45.1995 0.0000 173.2999 *88 D 4.8420 8.1027 114.7996 52.5022 41.0009 175.0032 89 D 4.8509 7.6104 119.7176 52.0674 43.2396 174.4245 90 P 4.2393 0.0000 0.0000 65.7749 31.5790 179.1702 91 C 4.2537 8.3660 117.2986 59.6887 38.6896 175.8073 92 K 3.9667 8.2114 119.6491 59.2666 31.6059 179.0696 93 K 3.9056 8.2535 120.0245 59.4044 32.0856 178.5159 94 E 3.8799 8.2631 118.9053 59.6044 29.4254 179.4649 95 I 3.6312 7.5251 119.0848 64.4308 37.1064 177.6600 96 C 2.9707 7.6540 118.9938 59.2901 44.5435 175.3957 97 E 3.7767 8.1740 120.3371 59.5165 28.9818 178.7559 98 C 4.1630 8.0877 116.4160 60.1716 41.5082 175.9807 99 D 4.0404 8.0248 120.3750 57.0967 40.4075 178.8472 100 R 3.7589 8.2503 119.3788 59.3476 30.0707 178.2282 101 A 3.8684 7.9509 120.3321 55.2891 18.2526 179.5119 102 A 3.4515 7.8109 118.8452 54.9631 18.3837 179.6768 103 A 3.9135 8.0571 119.3424 55.3783 18.4270 180.0158 104 I 3.6689 7.7195 118.3265 64.4861 37.3010 177.7248 105 C 4.1976 8.2512 119.7489 59.5932 43.1358 175.7508 106 F 4.3935 7.6161 118.5747 60.5266 38.6628 177.1524 107 R 4.0697 8.0375 118.2646 59.8326 29.7176 178.3088 108 D 4.5489 8.4816 116.7439 56.1473 41.0567 177.4150 109 N 5.0007 7.6979 116.1948 53.0894 39.3451 176.5799 110 L 4.1060 7.8199 124.5376 57.9691 41.3488 179.2432 111 T 3.9137 8.0512 108.1478 64.3005 68.5340 174.7499 112 L 4.4287 7.6282 119.2910 55.1427 42.4668 176.4342 113 Y 4.1698 7.5640 120.3225 58.0813 39.2174 176.3405 114 N 5.0022 8.8900 125.3290 52.4386 40.4222 174.1552 115 D 4.5930 8.3412 123.2509 55.4710 40.3939 179.8854 116 K 3.9748 8.2539 118.9181 59.3665 32.3752 178.1757 117 K 3.8653 8.2261 118.6704 59.1746 32.2118 177.2043 118 Y 4.3514 7.4450 114.3501 57.4163 38.5252 175.5759 119 W 4.3431 8.3539 131.1014 58.4324 31.7620 175.5394 120 A 3.5919 7.8139 127.7668 53.0987 15.9562 177.1924 121 F 4.3064 7.9303 123.6499 59.2132 40.5002 176.0306 122 G 3.8585 8.2173 106.8106 45.4852 0.0000 174.0065 123 A 3.9530 8.5200 125.0475 54.7953 18.7756 179.7439 124 K 3.8298 8.0100 115.8610 59.6891 32.2315 177.3399 125 N 4.4700 7.6966 113.3622 54.7028 39.0385 174.2758 126 C 5.1107 7.8801 115.0942 54.5279 41.9653 172.7472 127 P 4.3844 0.0000 0.0000 62.8075 32.1443 178.0497 128 Q 4.0262 8.9797 121.7123 59.3375 28.8104 179.1344 129 E 4.0414 8.1164 115.5279 58.6624 29.7427 177.1646 130 E 4.4032 8.0095 117.0504 56.1623 29.5130 176.0477 131 S 4.7933 7.6071 116.5562 57.8773 63.1439 173.9692 132 E 4.1492 8.7547 127.4721 55.4767 29.7518 174.8790 133 P 4.6445 0.0000 0.0000 62.5636 32.6878 177.1107 134 C 4.3330 8.6454 117.2570 57.4434 41.1438 173.7866 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 1 S 8.19 4.77 0.00 4.14 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 2 L 8.56 4.21 0.00 1.90 2.02 1.32 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.67 3.82 1.91 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 1.68 0.98 0.96 0.00 0.00 4 Q 7.86 4.12 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 5 F 8.50 4.54 0.00 3.46 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 6 E 8.50 3.82 0.00 2.17 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 0.00 2.37 2.44 0.00 7 T 7.85 3.92 4.50 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 1.40 0.00 0.00 8 L 8.33 3.93 0.00 1.95 1.74 0.39 0.75 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 9 I 7.80 3.72 1.93 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.49 1.02 0.00 0.00 10 M 8.02 4.25 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 11 K 8.12 3.98 0.00 1.90 1.89 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.75 7.81 12 V 7.86 3.86 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 0.80 0.00 0.00 0.93 0.00 0.00 13 A 8.14 4.31 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 14 K 7.65 4.25 0.00 1.94 1.84 0.00 1.98 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 *16 K 7.52 4.63 0.00 1.95 1.98 0.00 1.18 0.00 0.00 1.71 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.06 7.81 17 S 8.53 4.85 0.00 3.70 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.19 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 19 M 8.43 4.22 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 20 F 8.29 4.01 0.00 2.44 2.30 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 21 W 8.28 5.02 0.00 2.65 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 0.00 0.00 0.00 0.00 22 Y 8.29 4.95 0.00 2.93 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 23 S 8.46 4.69 0.00 4.13 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 6.92 4.66 0.00 2.39 1.42 0.00 0.00 6.48 7.24 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 25 Y 8.32 4.73 0.00 3.07 2.77 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 0.00 0.00 0.00 26 G 8.42 3.78 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 0.00 0.00 0.00 27 C 8.84 4.41 0.00 3.14 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 28 Y 8.69 4.34 0.00 3.34 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 29 C 8.58 4.74 0.00 3.42 3.49 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 30 G 7.74 4.31 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 0.00 31 W 8.61 4.08 0.00 3.49 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 G 8.03 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 6.89 4.43 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 5.80 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 35 G 8.60 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.25 4.47 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 37 P 0.00 4.53 0.00 1.84 1.94 0.00 3.34 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.10 0.00 38 Q 9.03 4.04 0.00 1.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.44 1.71 0.00 39 D 7.14 4.44 0.00 2.72 2.39 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 40 A 8.74 3.97 1.42 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 0.00 0.00 0.00 41 T 8.01 4.01 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 1.23 0.00 0.00 42 D 8.67 4.56 0.00 2.95 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 43 R 8.32 3.94 0.00 1.97 2.05 0.00 3.15 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 1.67 1.73 0.00 44 C 8.39 4.19 0.00 3.23 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 45 C 8.39 4.38 0.00 3.40 3.50 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 46 F 8.37 3.82 0.00 2.34 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 47 V 7.93 3.17 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 0.83 0.00 0.00 0.95 0.00 0.00 48 H 7.96 3.77 0.00 3.08 3.26 0.00 5.65 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 49 D 8.05 4.09 0.00 2.74 2.59 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 50 C 7.52 4.07 0.00 2.73 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 51 C 8.23 4.24 0.00 2.88 3.02 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 52 Y 7.93 4.21 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 53 G 8.00 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 0.00 0.00 0.00 54 K 7.48 4.35 0.00 1.88 1.81 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.51 7.81 55 V 7.24 3.75 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 0.73 0.00 0.00 0.93 0.00 0.00 56 T 8.36 4.38 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 *59 G 8.79 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 *61 C 7.59 4.90 0.00 3.39 3.40 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 *67 D 8.08 5.04 0.00 2.72 2.77 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 0.00 0.00 0.00 68 P 0.00 4.04 0.00 0.99 0.49 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 69 K 8.50 4.28 0.00 1.98 2.01 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.21 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.96 1.67 7.81 70 M 8.16 4.16 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 71 D 7.99 4.47 0.00 2.87 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 72 V 8.21 4.23 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 0.77 0.00 0.00 0.91 0.00 0.00 73 Y 8.08 4.82 0.00 3.08 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 74 S 8.43 5.13 0.00 3.94 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 75 F 8.16 5.61 0.00 3.20 3.04 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 76 S 9.18 4.78 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.67 5.15 0.00 1.93 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 2.33 2.45 0.00 78 E 9.45 4.62 0.00 1.99 1.75 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 2.23 2.29 0.00 79 N 9.95 4.32 0.00 2.86 2.84 0.00 0.00 7.02 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 80 G 8.88 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 0.00 0.00 0.00 81 D 8.18 4.75 0.00 2.69 2.59 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 82 I 8.18 4.63 1.82 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 1.22 0.88 0.79 0.00 0.00 83 V 8.84 4.34 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 1.00 0.00 0.00 0.96 0.00 0.00 84 C 8.91 4.98 0.00 3.06 2.94 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 9.13 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 86 G 8.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 D 8.10 4.84 0.00 2.83 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 89 D 7.61 4.85 0.00 2.71 2.58 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 0.00 90 P 0.00 4.24 0.00 2.18 2.07 0.00 3.65 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 2.11 2.14 0.00 91 C 8.37 4.25 0.00 3.00 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 92 K 8.21 3.97 0.00 1.89 1.97 0.00 1.84 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.53 7.81 93 K 8.25 3.91 0.00 1.83 1.94 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 94 E 8.26 3.88 0.00 2.16 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 2.29 2.51 0.00 95 I 7.53 3.63 2.08 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 1.23 1.01 0.99 0.00 0.00 96 C 7.65 2.97 0.00 2.04 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 97 E 8.17 3.78 0.00 2.07 1.90 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 2.49 2.43 0.00 98 C 8.09 4.16 0.00 3.18 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 99 D 8.02 4.04 0.00 2.82 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 0.00 100 R 8.25 3.76 0.00 1.74 2.01 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 101 A 7.95 3.87 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 0.00 102 A 7.81 3.45 1.08 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 0.00 0.00 103 A 8.06 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.72 3.67 1.91 0.00 0.00 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 1.37 0.56 0.90 0.00 0.00 105 C 8.25 4.20 0.00 2.89 2.83 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 0.00 106 F 7.62 4.39 0.00 3.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.04 4.07 0.00 1.90 2.09 0.00 3.09 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 108 D 8.48 4.55 0.00 2.70 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 0.00 109 N 7.70 5.00 0.00 2.95 2.87 0.00 0.00 6.84 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.82 4.11 0.00 1.64 1.67 0.90 0.90 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 0.00 111 T 8.05 3.91 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 0.00 112 L 7.63 4.43 0.00 1.91 1.85 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.56 4.17 0.00 2.97 2.83 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 0.00 114 N 8.89 5.00 0.00 2.74 2.75 0.00 0.00 6.58 8.27 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 0.00 115 D 8.34 4.59 0.00 3.23 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.25 3.97 0.00 1.89 1.91 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.39 7.81 117 K 8.23 3.87 0.00 1.46 1.57 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.75 0.21 7.81 118 Y 7.45 4.35 0.00 1.77 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 0.00 0.00 0.00 119 W 8.35 4.34 0.00 3.54 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 0.00 120 A 7.81 3.59 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 0.00 121 F 7.93 4.31 0.00 3.04 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 0.00 122 G 8.22 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 0.00 0.00 0.00 123 A 8.52 3.95 1.28 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 0.00 0.00 124 K 8.01 3.83 0.00 1.65 1.77 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.47 7.81 125 N 7.70 4.47 0.00 2.46 2.34 0.00 0.00 6.41 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 0.00 126 C 7.88 5.11 0.00 2.86 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 0.00 127 P 0.00 4.38 0.00 2.18 1.99 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 128 Q 8.98 4.03 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 129 E 8.12 4.04 0.00 1.94 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 2.32 2.40 0.00 130 E 8.01 4.40 0.00 2.09 1.97 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 2.30 2.28 0.00 131 S 7.61 4.79 0.00 3.78 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 0.00 132 E 8.75 4.15 0.00 1.75 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 2.27 2.24 0.00 133 P 0.00 4.64 0.00 2.16 2.08 0.00 3.85 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 2.03 2.03 0.00 134 C 8.65 4.33 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.