NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2819 8.1927 115.4113 58.0473 64.2554 172.4321 3 V 3.9390 8.3642 125.1885 62.0274 31.0663 173.3563 4 Q 4.6376 9.0427 126.8552 55.5244 32.7130 175.2542 5 V 4.7879 7.9474 119.3171 60.8653 34.7448 174.2895 6 G 4.6075 8.8731 115.3915 44.2263 0.0000 172.5313 7 V 4.9494 9.1725 127.8337 61.4363 33.3333 174.5644 8 I 5.7980 8.4183 121.8969 58.1455 40.7807 175.9238 *10 G 4.1140 8.6957 107.5910 46.6700 0.0000 173.2524 11 S 4.7990 8.1157 113.0139 55.4436 66.4028 175.1612 12 K 4.0120 8.7446 120.7278 59.6424 31.4397 179.4596 13 S 4.3514 7.5002 113.0324 60.7406 63.3862 175.4313 14 D 4.5955 8.2482 121.9437 55.3560 40.4764 177.8891 15 W 4.5103 8.1190 129.7126 60.3642 30.7562 177.5829 16 S 4.0899 8.1326 113.1402 61.0768 62.5713 174.6454 17 T 4.1901 7.3886 118.2259 63.6151 68.4217 176.2882 *19 K 2.9562 7.9929 125.1985 55.9369 33.3971 177.7038 20 E 3.8209 7.5835 117.9654 58.9548 29.3522 178.7720 21 C 4.0459 7.7183 118.4124 62.7108 31.7178 175.2345 22 C 3.5278 7.7480 117.7465 62.6100 27.7206 175.5248 23 D 4.3605 8.1408 120.6596 57.6309 40.4434 179.1314 24 I 3.7057 7.3112 119.3059 64.2790 36.9791 178.4960 25 L 3.9266 7.5927 119.4788 57.7126 41.4225 179.3064 26 D 4.4828 8.2906 118.9193 57.6786 40.6274 178.6850 27 N 4.4560 8.0866 115.4227 55.7220 38.5996 176.4828 28 L 4.4859 7.9222 117.8753 53.7878 42.1023 176.8004 29 G 3.8822 7.7916 106.8089 46.5807 0.0000 173.3437 30 I 4.4225 7.9126 120.6715 59.0557 38.7809 176.3101 31 G 4.3883 8.9685 114.5838 46.0905 0.0000 171.8798 32 Y 5.5388 7.9061 120.6694 55.7518 41.3898 173.3223 33 E 4.8511 9.4261 117.4575 54.7156 33.2050 174.4667 34 C 5.5736 8.6345 117.8127 58.2249 31.4074 173.0642 35 E 4.6286 9.0657 123.0517 54.7058 33.3855 173.9147 36 V 4.1640 8.2535 126.3237 62.3922 32.4540 175.4618 37 V 4.1873 8.1589 127.3037 61.3451 34.5685 173.9400 38 S 4.6439 8.7539 124.1620 56.5476 62.7863 174.4252 39 A 3.9603 8.7442 131.6141 55.4093 18.2915 177.7168 40 H 4.6890 7.9539 110.7000 57.5950 29.6562 176.6289 41 R 4.2839 8.3235 117.5012 57.5173 30.7602 176.6216 42 T 4.7281 7.9576 108.2766 59.6878 68.5648 173.3304 43 P 4.0079 0.0000 0.0000 66.6222 32.4264 178.1660 44 D 4.3654 8.0994 118.5843 57.1079 40.9891 179.2763 45 K 4.0506 7.5035 118.8321 56.8016 31.9726 178.3334 *47 F 4.9202 8.2267 117.5574 57.3158 41.1625 177.2973 48 D 4.6061 8.4673 120.3489 57.3705 40.3639 178.1279 49 Y 3.9156 8.5556 120.2644 60.6435 38.7163 178.1675 50 A 4.0651 8.1504 121.1055 55.3428 18.4367 179.2204 51 E 3.8953 8.4100 116.5405 59.2247 29.9702 178.8318 52 T 4.2770 7.6871 106.9059 61.7667 69.4252 176.5169 53 A 3.7083 7.4545 125.2035 55.2458 18.3771 179.5394 54 K 3.8428 7.9128 117.7808 59.6525 32.1905 178.7095 55 E 3.9753 8.0457 115.8071 58.9729 29.6326 178.1492 56 R 4.2511 7.5230 116.6878 56.1872 30.4066 177.1831 57 G 3.9356 7.9914 107.6594 45.1336 0.0000 173.9567 58 L 4.3368 7.4840 119.2671 54.6040 42.1406 176.9022 59 K 4.5895 9.0634 120.8496 56.7832 34.7042 176.7828 60 V 4.7362 7.6668 118.3874 61.2337 35.5411 173.6487 61 I 5.0933 8.7770 127.0540 59.5892 40.4705 174.4102 62 I 5.0060 9.2569 127.4524 59.5059 39.7301 174.4037 63 A 5.1098 9.2648 129.3818 49.9983 21.7570 174.7580 64 G 4.7316 8.5805 109.8751 44.0441 0.0000 172.4036 65 A 4.6083 8.1018 121.9970 51.0539 22.5912 175.0564 66 G 4.3412 8.4386 105.9803 44.0836 0.0000 175.2619 67 G 3.9982 8.6755 107.7965 45.9379 0.0000 176.7373 68 A 4.0185 8.5423 126.5168 51.4518 16.5685 176.0142 69 A 4.4170 8.1843 123.5465 52.0189 18.1204 176.7067 70 H 4.8801 8.3605 118.5182 56.8284 30.7114 177.3062 71 L 3.8480 8.1709 120.9576 57.7469 42.2487 176.1533 72 P 4.4282 0.0000 0.0000 65.7542 31.5199 179.6367 73 G 3.9138 7.6057 104.2658 46.1553 0.0000 175.4391 *75 V 3.9460 8.0062 120.7910 62.4974 33.0615 177.3917 76 A 4.0232 8.1077 120.8676 55.0431 18.3033 178.6566 77 A 4.0827 7.9445 118.1224 54.3834 18.4722 178.3089 78 K 4.3488 7.7284 112.7264 56.2764 32.8352 175.9101 79 T 4.6373 7.3697 112.5647 60.6950 70.2695 173.3859 80 T 4.3159 8.3694 115.7540 61.7647 69.5444 175.1168 81 L 4.1847 7.5038 122.7898 53.9623 42.4499 175.0128 82 P 4.4621 0.0000 0.0000 63.1229 32.7261 174.9932 83 V 4.9557 8.5398 123.0216 61.0835 34.3715 173.6891 84 L 5.2372 9.2697 128.3468 53.0908 44.2474 175.5003 85 G 4.3835 9.4881 111.1437 44.3821 0.0000 172.3389 86 V 4.4367 8.6343 124.7309 60.2446 33.8327 172.9600 87 P 4.8003 0.0000 0.0000 62.3257 32.1535 176.1758 88 V 4.0654 8.4366 126.3429 62.0696 32.4307 175.7660 89 K 4.0873 8.6181 129.0608 56.1680 32.4546 176.4075 90 S 4.5761 8.5525 121.7708 57.2440 64.4176 175.3859 91 S 4.1303 8.6841 117.9198 61.7813 63.1233 175.9268 92 T 4.0209 8.0024 109.9797 64.0860 69.1404 175.4094 93 L 4.5295 7.8282 120.3742 53.0208 42.0023 176.3034 94 N 4.2155 8.9154 114.0857 54.4029 36.6211 175.4664 95 G 3.9818 8.4366 104.8403 46.1210 0.0000 176.4137 96 Q 4.0097 8.2191 120.6893 58.6020 28.4904 178.2684 97 D 4.3201 7.9990 119.7724 56.6295 39.4407 178.4823 98 S 4.2853 8.0191 117.9208 60.3593 62.8460 176.3695 99 L 3.9261 8.2292 123.0886 58.3296 41.9213 179.1015 100 L 4.0861 7.9615 118.8835 57.8381 41.3030 179.6836 101 S 4.2277 8.1154 114.3378 60.7724 62.7198 176.0054 102 I 4.1927 7.2434 121.4722 63.4424 37.8465 178.2380 103 V 3.8193 7.8840 120.0725 62.6032 31.6074 176.4286 104 Q 4.1095 7.2883 118.4208 54.3320 28.2274 173.5453 *106 P 4.1352 0.0000 0.0000 61.6010 32.6930 175.5303 107 A 4.1860 8.3781 122.5233 52.1399 18.7639 175.9962 108 G 3.4843 8.0954 116.9161 45.1742 0.0000 173.6295 109 I 4.3849 6.7848 120.9193 58.5431 38.8191 173.3951 110 P 4.6041 0.0000 0.0000 61.6038 32.3793 176.0833 111 V 4.4369 7.9717 119.9312 60.8933 34.1849 174.7150 112 A 4.0403 8.7036 130.5663 52.1085 18.9180 176.0179 113 T 4.8264 8.0204 119.1773 61.9114 71.5722 173.8066 114 F 4.6535 8.3174 123.1926 54.7987 42.6326 174.9901 115 A 4.1264 8.6656 121.7309 52.2910 18.6383 177.1671 116 I 4.0117 8.1227 121.0113 62.8628 37.6499 174.8709 117 G 3.6018 8.7570 118.2343 46.0380 0.0000 175.1501 *119 A 4.2178 8.1912 119.5383 51.4973 21.3909 179.8695 120 G 4.1423 8.2405 103.1117 47.1065 0.0000 175.6345 121 A 3.8903 7.9641 123.0672 54.9991 18.4395 179.7759 122 K 3.7603 7.8902 116.3339 59.8552 32.2038 179.2582 123 N 4.2461 8.2977 116.4390 56.0399 38.2980 177.3116 124 A 2.8564 8.1382 122.3527 54.6319 18.3632 179.5800 125 A 3.7742 7.5301 119.0716 55.2408 18.5263 179.9084 126 L 3.7327 7.6307 117.5547 57.7676 41.6221 179.5591 127 F 4.1955 8.8074 122.2523 60.3933 39.3015 176.9946 128 A 3.9701 8.3587 120.7359 55.1594 18.1823 179.2959 129 A 3.9004 7.9334 119.3941 55.4606 18.2477 180.0645 130 S 4.0184 7.7532 112.1674 61.1895 62.8085 176.8757 131 I 3.5897 7.1908 123.1376 64.1843 37.1411 177.9154 132 L 4.1912 8.0160 119.6590 56.9716 41.5657 179.0725 133 Q 3.9468 8.1091 118.1815 59.7322 28.0044 178.4447 134 H 4.2779 8.2848 118.5864 58.1228 29.9980 175.9530 135 T 4.5585 7.7434 109.1369 60.4774 69.5830 173.8687 136 D 4.4957 7.6498 122.3686 52.1540 44.1900 175.8238 137 I 3.8177 8.4616 121.6712 63.9465 37.5456 177.9753 138 N 4.3645 8.1340 118.1638 56.2026 38.4781 177.2431 139 I 3.6762 8.2237 121.0664 64.1666 37.1869 178.1759 140 A 3.9647 7.9849 121.6628 55.2166 18.1634 179.6501 141 K 3.8967 8.2322 117.7865 59.5494 32.1889 178.8792 142 A 4.0094 8.2358 121.2683 54.9759 18.2480 179.4688 143 L 3.8707 8.1952 118.7049 58.2590 42.2117 178.7841 144 A 4.0223 8.1060 120.7982 55.3727 18.2306 179.3046 145 E 3.8908 8.5115 117.7582 59.1424 29.7479 178.4148 146 F 3.9862 8.5883 121.2349 61.6534 39.3777 177.4883 147 R 4.0293 8.4689 117.1590 59.2714 29.9249 178.8061 148 A 4.0223 8.2092 120.6755 55.2031 18.2411 179.3852 149 E 3.8758 8.3204 118.0195 59.3695 29.2810 179.0421 150 Q 3.8879 7.9055 117.7132 59.2807 28.5935 178.7724 151 T 3.9097 7.9507 117.8581 66.5199 68.4812 176.6176 152 R 3.8888 8.0626 120.6233 59.4367 29.8667 177.9956 153 F 4.1083 8.2365 119.5196 61.5467 39.6702 177.0598 154 V 3.6082 7.6160 116.4084 65.8513 31.1841 178.0561 155 L 4.0010 7.7652 117.6519 57.6979 41.5371 178.8253 156 E 4.1979 8.2947 116.9475 57.2734 30.7910 176.4224 157 N 4.9856 7.3798 115.2100 51.3414 38.9514 173.0845 158 P 4.2163 0.0000 0.0000 64.8601 32.3226 176.6039 159 D 4.6400 7.7908 119.0657 52.2169 41.5558 174.0991 160 P 4.4088 0.0000 0.0000 64.1127 32.2174 176.0854 161 R 4.0253 7.9483 124.2582 56.6730 29.8671 175.7373 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 2 S 8.19 4.28 0.00 4.02 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 3 V 8.36 3.94 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 0.82 0.00 0.00 0.89 0.00 0.00 4 Q 9.04 4.64 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 5 V 7.95 4.79 2.20 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 1.17 0.00 0.00 0.97 0.00 0.00 6 G 8.87 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.17 4.95 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.93 0.00 0.00 8 I 8.42 5.80 1.62 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.36 0.34 0.00 0.00 *10 G 8.70 4.11 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 0.00 11 S 8.12 4.80 0.00 3.92 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 12 K 8.74 4.01 0.00 1.83 1.93 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.48 7.81 13 S 7.50 4.35 0.00 3.88 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 14 D 8.25 4.60 0.00 2.95 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 15 W 8.12 4.51 0.00 3.34 3.21 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 16 S 8.13 4.09 0.00 4.00 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 17 T 7.39 4.19 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 1.17 0.00 0.00 *19 K 7.99 2.96 0.00 0.79 1.16 0.00 1.43 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.78 7.81 20 E 7.58 3.82 0.00 2.00 1.86 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 2.13 2.34 0.00 21 C 7.72 4.05 0.00 2.97 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 22 C 7.75 3.53 0.00 3.09 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 23 D 8.14 4.36 0.00 2.75 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 24 I 7.31 3.71 1.83 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 1.50 0.76 0.57 0.00 0.00 25 L 7.59 3.93 0.00 1.41 1.63 0.51 0.73 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 26 D 8.29 4.48 0.00 2.96 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 27 N 8.09 4.46 0.00 2.90 2.97 0.00 0.00 7.09 7.26 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 28 L 7.92 4.49 0.00 1.58 1.66 0.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.79 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 30 I 7.91 4.42 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 1.17 0.81 0.96 0.00 0.00 31 G 8.97 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 0.00 0.00 0.00 0.00 32 Y 7.91 5.54 0.00 3.13 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 33 E 9.43 4.85 0.00 2.07 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 0.00 2.29 2.42 0.00 34 C 8.63 5.57 0.00 2.79 2.86 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 35 E 9.07 4.63 0.00 2.01 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 2.09 2.21 0.00 36 V 8.25 4.16 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 0.77 0.00 0.00 0.87 0.00 0.00 37 V 8.16 4.19 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 0.86 0.00 0.00 0.59 0.00 0.00 38 S 8.75 4.64 0.00 4.01 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 39 A 8.74 3.96 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 40 H 7.95 4.69 0.00 3.15 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.32 4.28 0.00 1.76 1.98 0.00 3.10 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 42 T 7.96 4.73 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 1.20 0.00 0.00 43 P 0.00 4.01 0.00 1.97 2.27 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 44 D 8.10 4.37 0.00 2.71 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 K 7.50 4.05 0.00 1.76 1.94 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 *47 F 8.23 4.92 0.00 3.22 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 48 D 8.47 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 49 Y 8.56 3.92 0.00 3.14 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 50 A 8.15 4.07 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 51 E 8.41 3.90 0.00 1.92 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 2.29 2.37 0.00 52 T 7.69 4.28 4.17 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 1.20 0.00 0.00 53 A 7.45 3.71 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 54 K 7.91 3.84 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 55 E 8.05 3.98 0.00 2.13 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 2.42 2.36 0.00 56 R 7.52 4.25 0.00 1.93 1.94 0.00 3.08 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 57 G 7.99 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 58 L 7.48 4.34 0.00 1.79 1.62 0.93 0.84 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 59 K 9.06 4.59 0.00 1.58 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.60 7.81 60 V 7.67 4.74 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 1.12 0.00 0.00 0.96 0.00 0.00 61 I 8.78 5.09 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 1.05 0.00 0.00 62 I 9.26 5.01 1.88 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 1.16 0.93 0.88 0.00 0.00 63 A 9.26 5.11 1.22 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 0.00 0.00 0.00 64 G 8.58 4.73 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 65 A 8.10 4.61 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 66 G 8.44 4.34 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 0.00 67 G 8.68 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 68 A 8.54 4.02 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 69 A 8.18 4.42 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 70 H 8.36 4.88 0.00 3.16 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.17 3.85 0.00 1.56 1.71 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.43 0.00 2.24 2.12 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 73 G 7.61 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 *75 V 8.01 3.95 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 1.08 0.00 0.00 1.02 0.00 0.00 76 A 8.11 4.02 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 77 A 7.94 4.08 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 78 K 7.73 4.35 0.00 1.56 1.57 0.00 1.30 0.00 0.00 0.69 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.87 0.41 7.81 79 T 7.37 4.64 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 1.30 0.00 0.00 80 T 8.37 4.32 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 1.20 0.00 0.00 81 L 7.50 4.18 0.00 1.73 1.68 0.95 0.97 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 82 P 0.00 4.46 0.00 2.23 2.28 0.00 3.82 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 2.21 2.02 0.00 83 V 8.54 4.96 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 1.13 0.00 0.00 1.03 0.00 0.00 84 L 9.27 5.24 0.00 1.67 1.76 1.08 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 85 G 9.49 4.38 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 0.00 0.00 0.00 86 V 8.63 4.44 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 0.99 0.00 0.00 0.99 0.00 0.00 87 P 0.00 4.80 0.00 2.12 1.95 0.00 3.85 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 88 V 8.44 4.07 2.17 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 0.74 0.00 0.00 0.98 0.00 0.00 89 K 8.62 4.09 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.42 7.81 90 S 8.55 4.58 0.00 4.04 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 91 S 8.68 4.13 0.00 4.00 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 92 T 8.00 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 93 L 7.83 4.53 0.00 1.85 1.68 0.92 0.70 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 94 N 8.92 4.22 0.00 2.87 2.88 0.00 0.00 6.99 7.98 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 95 G 8.44 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 96 Q 8.22 4.01 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 97 D 8.00 4.32 0.00 2.87 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 98 S 8.02 4.29 0.00 4.02 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 99 L 8.23 3.93 0.00 1.77 1.85 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.96 4.09 0.00 1.75 1.70 0.92 0.78 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 0.00 101 S 8.12 4.23 0.00 4.09 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 0.00 102 I 7.24 4.19 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.65 0.91 0.00 0.00 103 V 7.88 3.82 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 1.00 0.00 0.00 0.85 0.00 0.00 104 Q 7.29 4.11 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 *106 P 0.00 4.14 0.00 2.19 2.02 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 107 A 8.38 4.19 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 0.00 108 G 8.10 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 6.78 4.38 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 1.29 0.98 0.94 0.00 0.00 110 P 0.00 4.60 0.00 2.04 1.96 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 111 V 7.97 4.44 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 0.80 0.00 0.00 0.96 0.00 0.00 112 A 8.70 4.04 1.10 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 0.00 113 T 8.02 4.83 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 1.14 0.00 0.00 114 F 8.32 4.65 0.00 2.93 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 0.00 115 A 8.67 4.13 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 0.00 116 I 8.12 4.01 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 1.35 0.58 0.91 0.00 0.00 117 G 8.76 3.60 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 0.00 0.00 0.00 *119 A 8.19 4.22 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 0.00 120 G 8.24 4.14 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 0.00 121 A 7.96 3.89 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 0.00 122 K 7.89 3.76 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 123 N 8.30 4.25 0.00 2.82 2.85 0.00 0.00 6.96 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 0.00 124 A 8.14 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.53 3.77 1.17 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 0.00 0.00 126 L 7.63 3.73 0.00 1.73 1.57 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.81 4.20 0.00 2.96 2.90 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 0.00 128 A 8.36 3.97 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 0.00 129 A 7.93 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 0.00 130 S 7.75 4.02 0.00 3.90 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 0.00 131 I 7.19 3.59 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.22 0.89 0.00 0.00 132 L 8.02 4.19 0.00 1.67 1.69 0.92 0.78 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 0.00 133 Q 8.11 3.95 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 134 H 8.28 4.28 0.00 3.13 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.74 4.56 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 1.21 0.00 0.00 136 D 7.65 4.50 0.00 2.73 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 0.00 137 I 8.46 3.82 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 1.63 0.65 0.90 0.00 0.00 138 N 8.13 4.36 0.00 2.95 2.90 0.00 0.00 7.18 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 0.00 139 I 8.22 3.68 1.86 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 1.45 0.72 0.88 0.00 0.00 140 A 7.98 3.96 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 0.00 141 K 8.23 3.90 0.00 1.98 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 142 A 8.24 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 0.00 143 L 8.20 3.87 0.00 1.73 1.81 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.11 4.02 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 0.00 145 E 8.51 3.89 0.00 2.20 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 0.00 2.33 2.38 0.00 146 F 8.59 3.99 0.00 3.18 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 0.00 147 R 8.47 4.03 0.00 2.11 2.04 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 148 A 8.21 4.02 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 0.00 149 E 8.32 3.88 0.00 2.07 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 2.15 2.13 0.00 150 Q 7.91 3.89 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 151 T 7.95 3.91 4.40 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 1.23 0.00 0.00 152 R 8.06 3.89 0.00 2.02 2.11 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 153 F 8.24 4.11 0.00 3.04 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 0.00 154 V 7.62 3.61 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 0.95 0.00 0.00 1.04 0.00 0.00 155 L 7.77 4.00 0.00 1.66 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.29 4.20 0.00 1.90 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 2.32 2.46 0.00 157 N 7.38 4.99 0.00 2.38 2.44 0.00 0.00 6.98 7.53 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 0.00 158 P 0.00 4.22 0.00 2.14 2.14 0.00 3.77 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 1.94 1.91 0.00 159 D 7.79 4.64 0.00 2.60 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 0.00 160 P 0.00 4.41 0.00 2.20 2.13 0.00 3.80 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 1.96 1.93 0.00 161 R 7.95 4.03 0.00 2.17 1.84 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.