NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3119 8.1749 117.3718 63.4838 70.5965 174.3724 4 I 3.9756 7.6641 121.3849 60.8492 37.8670 174.1515 5 R 4.6045 9.8176 127.0143 54.3133 33.5929 174.6792 6 R 4.9215 8.3316 121.8610 54.7030 32.4880 174.6934 7 Y 4.6072 9.0933 121.9283 56.0498 41.8514 175.0369 8 D 4.2914 8.5126 118.1661 55.3595 39.5844 173.8901 9 V 3.7808 7.6443 117.7044 62.6086 32.7481 174.3703 10 N 4.7132 8.9392 126.5991 51.7137 38.7380 174.7219 11 E 4.0738 8.5689 127.3954 58.6393 30.2811 177.7981 12 D 4.4969 8.2340 117.9898 57.0811 41.0856 177.4636 13 R 4.1537 8.5707 116.0450 55.8572 30.7954 176.2087 14 G 3.8699 7.9997 106.0792 46.4284 0.0000 172.6023 15 H 5.0869 7.5176 112.2222 54.1484 33.0600 172.6761 16 T 4.7724 8.4258 115.5761 61.6958 70.0093 174.7582 17 G 3.7905 9.1242 114.7391 48.2861 0.0000 173.2673 18 L 5.2643 8.4191 123.1320 53.3899 45.8353 175.1273 19 V 4.7995 9.1070 127.2790 61.3751 33.5524 173.9821 20 E 4.6124 9.6526 130.4412 55.2537 31.0633 174.8808 21 A 4.6715 8.9704 129.5106 49.6635 21.5316 177.3136 22 G 3.7936 8.7667 114.0516 48.1268 0.0000 173.5424 23 D 4.6799 9.0266 126.5641 54.0906 41.4604 175.1125 24 F 5.3357 8.1343 118.7183 55.7998 42.5231 174.1058 25 Y 5.2273 9.0762 118.9366 56.5622 41.6315 173.9399 26 Y 4.8933 9.4897 122.5743 56.2466 40.2321 174.7892 27 L 4.8805 8.7640 125.3859 53.5392 43.2634 176.4779 28 N 4.8702 8.8383 123.2197 53.2259 39.8835 173.8774 29 Y 4.4793 8.5057 120.0562 57.8239 38.7975 175.3768 30 C 4.9050 9.4548 119.4122 58.1844 31.2178 173.5172 31 V 4.7643 8.1315 115.4364 59.9671 35.3452 174.6866 32 G 3.9334 8.7667 108.7682 45.7577 0.0000 172.6416 33 N 3.9620 8.5182 113.3894 53.6744 36.3603 174.9427 34 V 3.7825 7.6657 115.9417 64.2665 32.5067 175.9371 35 G 4.0997 8.9791 114.3291 45.2403 0.0000 173.3776 36 Q 4.7190 7.3623 118.3375 54.3761 30.7572 174.9737 37 D 4.6848 8.1898 119.1209 53.0766 41.5966 176.8025 38 I 3.6606 8.1574 118.3843 64.2238 37.8599 177.1500 39 E 3.8337 8.2405 119.6870 59.4190 29.5520 178.8227 40 S 4.0957 7.9106 113.9749 61.6473 62.7561 176.7305 41 Q 4.3373 8.1027 122.1783 58.2231 28.4205 178.7172 42 I 2.6585 7.6334 121.0400 64.1776 37.0257 178.0559 43 N 4.4958 8.1972 117.4554 56.4862 38.4287 177.7270 44 G 3.5654 8.5150 107.1050 47.6825 0.0000 175.6645 45 A 4.0723 8.0307 122.5620 55.0724 18.5111 179.5394 46 F 4.7487 7.9897 115.2949 60.6103 39.1252 177.3296 47 D 4.6089 8.5032 119.1179 57.1809 40.5462 179.1081 48 E 4.3055 7.8844 118.1349 56.5260 29.6100 178.3741 *50 E 4.1470 8.1781 118.4004 55.9404 31.6781 178.1031 51 R 3.8443 8.2499 117.4524 59.7197 30.3196 178.4385 52 R 4.0413 8.1807 117.8020 59.3092 29.9975 179.1419 53 L 3.8435 7.8442 118.0272 57.5555 41.6698 179.2202 54 A 3.8894 8.2899 121.0112 54.7802 17.9946 179.4675 55 L 3.9821 7.3659 116.6451 56.9492 41.5747 178.4009 56 V 4.0885 6.9328 110.4139 60.7901 32.2686 175.7859 57 G 3.7663 7.8665 105.9328 46.3412 0.0000 174.1448 58 L 4.5730 7.6331 118.6724 52.6116 44.4217 175.1950 59 T 4.6272 7.5869 108.8165 59.4770 72.1375 174.5646 60 L 3.8590 8.1154 119.8041 57.4542 41.5219 179.5033 61 D 4.3325 7.6122 117.5232 56.7184 40.9585 177.0456 62 A 4.3132 8.0546 120.6838 52.2801 19.1823 176.9277 63 V 4.2925 7.4353 116.7917 62.7696 32.1512 175.8802 64 V 4.3713 8.8585 120.1429 62.1993 34.3972 174.8705 65 Q 5.5364 7.5435 119.4122 55.3361 33.1517 172.2614 *67 D 4.8219 8.5133 118.2716 54.4967 42.6359 174.5583 68 C 4.7600 9.0653 121.7324 57.9992 30.6213 172.7160 69 L 4.9665 8.2650 125.0164 53.1294 43.4247 175.5314 70 F 5.4019 9.0568 123.2143 55.6570 41.3222 176.9949 71 R 4.3432 9.2085 123.5787 58.1292 31.0357 175.8058 72 D 4.9943 8.3246 118.2886 52.0110 42.8619 176.0930 73 V 3.3036 9.0049 127.9489 63.7216 31.5520 178.0921 74 W 4.2092 8.1576 119.4356 58.3395 28.8641 176.8726 75 N 4.7081 8.1404 116.1760 53.5954 37.7291 176.5205 76 I 3.5053 6.7989 122.5682 64.1971 37.5054 176.1611 77 P 4.4321 0.0000 0.0000 65.1533 30.8379 179.0497 78 V 3.7459 7.1692 113.6898 63.7929 31.1314 176.3952 *80 E 4.3348 8.3033 119.3327 56.0062 31.2816 178.0808 81 K 3.8438 7.9815 116.8870 57.9531 32.6976 177.8622 *83 I 4.3266 7.8607 119.0377 61.2406 38.7872 178.1364 84 K 4.1776 8.0894 118.1123 59.5743 31.7949 179.0085 85 E 4.1946 8.1579 117.7713 58.5959 29.4898 178.4914 86 R 4.4460 8.0372 115.4391 56.3870 31.8459 177.2462 87 F 4.3619 8.5755 116.3645 55.9402 39.5954 175.2520 88 N 4.2486 9.1385 114.8421 54.4364 35.7942 174.9707 89 G 3.5120 8.4332 102.4458 45.8397 0.0000 174.0607 90 R 4.1326 7.3614 117.9833 54.3457 31.2319 174.6334 91 Y 4.8489 7.8772 120.7684 55.2817 40.5094 173.9916 92 P 4.6527 0.0000 0.0000 61.8874 33.1745 175.5925 93 A 4.3869 8.5739 122.5244 52.4527 19.4315 176.7956 94 R 4.9758 8.2623 115.9059 55.3507 32.7882 173.8040 95 K 4.7880 8.4776 116.9921 55.6724 36.3211 174.9151 96 S 5.4937 8.6830 116.7562 56.8247 65.9740 173.5455 97 I 4.7089 8.9076 116.8997 59.0937 41.0946 173.9063 98 Q 4.8908 8.6035 125.2630 55.7840 29.9729 174.5539 99 T 4.5690 8.8086 119.8481 60.5023 71.3061 173.0506 100 E 3.9669 8.5032 125.5397 56.1904 30.2995 176.2048 101 F 4.9350 8.1535 118.0883 55.7614 42.7016 175.4486 102 A 4.4723 8.3791 125.2418 51.1383 17.8370 177.0993 103 H 4.9071 7.5811 119.1670 54.9305 33.4617 173.8633 104 H 4.2927 8.8104 120.4927 56.0748 29.3660 174.6831 105 G 4.1078 8.7322 109.4347 46.0942 0.0000 172.4266 106 G 4.2844 8.7985 110.2523 44.8227 0.0000 170.3339 107 P 4.5176 0.0000 0.0000 64.4013 31.8416 175.6892 108 Q 3.9778 8.3276 118.8800 55.6474 26.4825 174.1452 109 G 4.0735 7.7705 105.7087 43.3793 0.0000 173.7516 110 L 4.2643 8.2088 121.8356 54.5610 42.6472 176.2582 111 L 5.0055 8.9895 124.1233 54.7773 44.7600 175.9891 112 F 5.1461 7.6732 118.9529 57.1934 42.3219 173.1035 113 Q 4.6399 7.9996 123.7326 54.1826 33.6622 174.2853 114 V 4.8711 8.2822 119.7417 60.3511 35.2108 173.6156 115 D 5.1148 8.7136 122.1076 51.9386 43.2780 173.7160 116 G 4.0863 7.3971 104.0318 46.4580 0.0000 172.0947 117 V 4.9994 8.3129 118.7497 60.9196 34.7484 174.4718 118 A 5.4151 9.2092 127.9562 50.4387 22.9960 174.0590 119 Y 4.9502 8.5408 119.2638 56.2432 42.1953 174.9017 120 S 4.0230 7.8545 120.0952 56.9850 65.5819 174.1537 121 K 3.8291 8.1723 129.5082 56.7334 32.6203 176.1638 122 H 4.4011 9.2120 122.9391 56.0271 28.7084 174.9799 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 3 T 8.17 4.31 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 1.20 0.00 0.00 4 I 7.66 3.98 1.85 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 1.33 0.57 0.95 0.00 0.00 5 R 9.82 4.60 0.00 1.83 1.61 0.00 3.15 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 6 R 8.33 4.92 0.00 1.57 1.81 0.00 3.13 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 7 Y 9.09 4.61 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.51 4.29 0.00 2.98 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 9 V 7.64 3.78 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 0.91 0.00 0.00 0.93 0.00 0.00 10 N 8.94 4.71 0.00 2.67 2.38 0.00 0.00 6.52 7.20 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 11 E 8.57 4.07 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 12 D 8.23 4.50 0.00 2.84 2.71 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 13 R 8.57 4.15 0.00 1.60 2.03 0.00 3.39 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 14 G 8.00 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 15 H 7.52 5.09 0.00 3.20 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.43 4.77 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 1.37 0.00 0.00 17 G 9.12 3.79 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 0.00 0.00 0.00 18 L 8.42 5.26 0.00 1.81 1.61 1.02 0.83 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 19 V 9.11 4.80 2.25 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 0.92 0.00 0.00 1.01 0.00 0.00 20 E 9.65 4.61 0.00 2.37 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 0.00 2.15 1.72 0.00 21 A 8.97 4.67 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 22 G 8.77 3.79 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 0.00 0.00 0.00 23 D 9.03 4.68 0.00 2.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.13 5.34 0.00 3.18 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 25 Y 9.08 5.23 0.00 2.81 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 26 Y 9.49 4.89 0.00 2.91 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 27 L 8.76 4.88 0.00 1.82 1.64 0.98 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.84 4.87 0.00 2.89 2.52 0.00 0.00 7.24 7.13 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 29 Y 8.51 4.48 0.00 2.94 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 30 C 9.45 4.91 0.00 2.98 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 31 V 8.13 4.76 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 0.69 0.00 0.00 1.00 0.00 0.00 32 G 8.77 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 0.00 0.00 0.00 33 N 8.52 3.96 0.00 2.98 2.85 0.00 0.00 6.44 7.68 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 34 V 7.67 3.78 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 0.62 0.00 0.00 0.90 0.00 0.00 35 G 8.98 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 36 Q 7.36 4.72 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 37 D 8.19 4.68 0.00 2.88 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 38 I 8.16 3.66 1.94 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 1.63 1.44 0.94 0.00 0.00 39 E 8.24 3.83 0.00 2.06 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 2.36 2.38 0.00 40 S 7.91 4.10 0.00 3.93 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 41 Q 8.10 4.34 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 42 I 7.63 2.66 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.27 0.00 0.00 43 N 8.20 4.50 0.00 2.74 2.91 0.00 0.00 7.01 7.58 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 44 G 8.52 3.57 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 0.00 0.00 0.00 45 A 8.03 4.07 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.99 4.75 0.00 3.22 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 47 D 8.50 4.61 0.00 2.92 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 48 E 7.88 4.31 0.00 2.19 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 2.28 2.38 0.00 *50 E 8.18 4.15 0.00 2.30 1.96 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 2.17 2.29 0.00 51 R 8.25 3.84 0.00 1.84 2.12 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 52 R 8.18 4.04 0.00 1.87 1.96 0.00 3.23 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 53 L 7.84 3.84 0.00 1.71 1.58 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.29 3.89 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 55 L 7.37 3.98 0.00 1.55 1.56 0.96 1.23 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 56 V 6.93 4.09 1.79 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 0.14 0.00 0.00 0.28 0.00 0.00 57 G 7.87 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 58 L 7.63 4.57 0.00 1.44 1.35 0.25 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.59 4.63 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 1.11 0.00 0.00 60 L 8.12 3.86 0.00 1.21 0.82 -0.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.61 4.33 0.00 2.56 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 62 A 8.05 4.31 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 63 V 7.44 4.29 2.40 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 0.99 0.00 0.00 1.02 0.00 0.00 64 V 8.86 4.37 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 0.73 0.00 0.00 1.12 0.00 0.00 65 Q 7.54 5.54 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.22 0.00 *67 D 8.51 4.82 0.00 3.00 2.65 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 68 C 9.07 4.76 0.00 3.10 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 69 L 8.26 4.97 0.00 1.59 1.63 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.06 5.40 0.00 2.95 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 71 R 9.21 4.34 0.00 2.21 2.20 0.00 3.18 0.00 0.00 3.11 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.49 0.00 72 D 8.32 4.99 0.00 2.87 2.65 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 73 V 9.00 3.30 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 0.38 0.00 0.00 0.66 0.00 0.00 74 W 8.16 4.21 0.00 3.42 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 75 N 8.14 4.71 0.00 3.05 3.02 0.00 0.00 6.89 6.80 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 76 I 6.80 3.51 1.60 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.31 0.83 0.00 0.00 77 P 0.00 4.43 0.00 2.17 2.11 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 78 V 7.17 3.75 2.27 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 0.75 0.00 0.00 0.96 0.00 0.00 *80 E 8.30 4.33 0.00 2.23 1.96 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 2.25 2.52 0.00 81 K 7.98 3.84 0.00 1.93 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 *83 I 7.86 4.33 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.43 0.00 0.00 84 K 8.09 4.18 0.00 1.88 1.95 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.57 7.81 85 E 8.16 4.19 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 86 R 8.04 4.45 0.00 1.80 1.79 0.00 3.29 0.00 0.00 3.46 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 87 F 8.58 4.36 0.00 3.47 3.33 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 0.00 0.00 0.00 0.00 88 N 9.14 4.25 0.00 2.78 2.84 0.00 0.00 6.98 7.65 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 89 G 8.43 3.51 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 0.00 0.00 0.00 90 R 7.36 4.13 0.00 1.73 1.77 0.00 3.07 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 91 Y 7.88 4.85 0.00 2.95 2.60 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 92 P 0.00 4.65 0.00 2.10 2.27 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 93 A 8.57 4.39 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 94 R 8.26 4.98 0.00 1.83 1.90 0.00 3.09 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 95 K 8.48 4.79 0.00 1.81 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.50 7.81 96 S 8.68 5.49 0.00 3.76 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 97 I 8.91 4.71 1.86 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 1.10 0.77 0.92 0.00 0.00 98 Q 8.60 4.89 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.61 0.00 99 T 8.81 4.57 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 0.71 0.00 0.00 100 E 8.50 3.97 0.00 1.89 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 2.23 2.23 0.00 101 F 8.15 4.93 0.00 3.00 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 0.00 102 A 8.38 4.47 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 0.00 103 H 7.58 4.91 0.00 3.11 3.12 0.00 5.94 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.81 4.29 0.00 3.24 3.40 0.00 5.49 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 0.00 105 G 8.73 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 0.00 106 G 8.80 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 0.00 0.00 0.00 107 P 0.00 4.52 0.00 2.08 2.04 0.00 3.87 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 2.05 2.14 0.00 108 Q 8.33 3.98 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 109 G 7.77 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 0.00 0.00 0.00 110 L 8.21 4.26 0.00 1.25 1.43 0.66 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.99 5.01 0.00 1.67 1.79 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.67 5.15 0.00 2.88 2.71 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 0.00 113 Q 8.00 4.64 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 1.97 1.48 0.00 114 V 8.28 4.87 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 0.95 0.00 0.00 1.18 0.00 0.00 115 D 8.71 5.11 0.00 2.94 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 0.00 116 G 7.40 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.31 5.00 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 0.84 0.00 0.00 0.90 0.00 0.00 118 A 9.21 5.42 1.21 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 0.00 0.00 119 Y 8.54 4.95 0.00 2.56 2.65 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 0.00 120 S 7.85 4.02 0.00 3.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.83 0.00 1.64 1.62 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 122 H 9.21 4.40 0.00 3.26 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.