NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.3486 8.1849 122.5006 54.1849 44.3000 177.0368 13 Q 4.3465 7.9727 121.3052 51.2844 29.5281 171.9076 14 F 6.2207 8.1954 124.1726 57.7568 42.9209 170.6901 15 A 4.7522 8.0421 129.7011 50.3594 21.6539 175.5701 16 L 4.6939 7.9908 124.0093 52.2023 42.8773 173.7070 17 P 4.2964 0.0000 0.0000 66.1075 31.6955 177.9171 18 H 4.4451 7.8772 112.6924 56.9585 29.4270 175.0806 19 E 4.4547 7.2759 118.1590 54.0362 31.7039 174.0956 20 T 4.5225 8.3085 116.3766 60.1947 70.0898 172.7200 21 L 4.0705 7.5874 122.6908 55.1596 43.8834 178.1256 22 Y 4.5935 7.8186 116.6548 57.4222 41.3482 175.9787 23 S 4.5202 9.2600 118.4787 59.7018 64.2738 176.3027 *26 E 4.1885 8.9815 117.0963 56.2543 31.8370 177.8969 27 V 4.6862 8.1233 122.1061 60.6231 34.6915 174.7231 28 T 4.4312 7.9723 115.4878 62.7062 70.4256 174.7277 29 Q 4.5297 7.5849 119.6043 55.2047 32.2034 173.1070 30 V 4.5211 8.0683 125.9055 61.1274 34.3666 173.7038 31 N 5.4285 8.5997 124.4787 51.5809 41.1941 173.8237 32 L 4.8933 8.7783 122.3166 52.5123 46.7257 174.1206 33 P 5.1163 0.0000 0.0000 61.3566 30.9947 175.4268 34 A 4.6645 8.0326 133.7366 52.7095 20.0194 178.2590 35 K 3.9116 8.7634 120.7447 58.2661 31.6724 174.7236 36 S 4.4999 7.7689 120.9693 56.2521 62.0622 175.0362 37 G 4.0379 8.4182 118.5934 43.4218 0.0000 171.6847 38 R 4.4068 8.2857 118.0584 56.6807 30.8998 175.9762 39 I 4.6841 8.6935 114.0997 59.5166 41.9687 174.1287 40 G 4.2462 8.3714 108.8177 44.4121 0.0000 172.7585 41 V 3.8702 8.3240 126.5139 62.8095 33.0385 174.6878 42 L 4.4894 8.5188 123.1257 54.2998 45.5966 176.9849 43 A 3.9930 7.8293 123.1807 54.6628 19.1801 177.7590 44 N 5.0068 7.9371 111.5514 51.7481 41.6424 173.2858 45 H 4.9084 8.4575 121.0314 53.9520 33.5210 172.7365 46 V 3.7585 7.6340 116.1279 60.1891 31.9184 174.4361 47 P 4.5267 0.0000 0.0000 63.0471 31.7488 175.8112 48 T 4.7922 8.4880 119.8959 62.1806 73.3310 173.0150 49 V 5.0961 8.5481 119.8757 60.4735 34.2702 175.7548 50 E 4.7248 8.9488 121.7074 54.6295 34.3812 172.5700 51 Q 3.1642 8.3658 122.4527 55.5750 29.6929 176.0349 52 L 4.4556 9.2023 127.0451 53.5777 43.2007 177.0853 53 L 4.2829 8.4223 126.7379 53.9948 41.8779 172.7669 54 P 4.4768 0.0000 0.0000 63.0011 28.9045 175.3597 55 G 3.8903 7.4977 112.1573 45.2796 0.0000 170.7378 56 V 4.3673 8.3897 118.9017 61.9502 32.5920 172.6166 57 V 4.6954 9.2170 120.3087 62.4463 36.0930 173.2043 58 E 5.1586 8.8141 123.7061 55.9038 33.1825 175.1529 59 V 4.5863 8.2208 124.9878 60.3271 34.4332 174.3509 60 M 5.1053 7.9344 116.9407 53.5990 36.5028 175.7734 61 E 4.9160 8.5665 120.5401 55.7059 30.4054 175.3706 62 G 4.4656 8.9405 115.8527 45.4242 0.0000 176.2301 63 S 4.5154 7.4720 115.1762 56.4528 63.1864 173.4711 64 N 4.6330 8.5118 122.9483 53.7389 39.5483 173.9380 65 S 5.0009 8.5976 124.9236 56.5991 63.2058 171.2179 66 K 4.4017 8.5187 132.4872 53.6811 34.8837 171.8919 67 K 4.9223 8.3521 129.5634 52.6213 33.7932 172.8950 68 F 5.1160 8.7554 123.0441 55.0076 42.5712 175.1141 69 F 4.9556 8.8234 123.6302 58.0208 41.3165 173.7401 70 I 4.8449 6.7994 119.3512 61.8681 40.3987 174.9555 71 S 4.3102 9.1455 117.4662 60.0918 63.7149 173.7198 72 G 4.2396 8.1498 105.3304 42.7557 0.0000 176.0814 73 G 4.5952 7.0938 110.8463 46.1433 0.0000 174.6338 74 F 4.8955 8.9898 123.2922 55.3479 43.2846 172.3005 75 A 5.2196 9.1097 124.1873 50.8151 22.4336 176.1645 76 T 4.5463 8.7292 115.4611 60.9729 69.9699 172.6878 77 V 4.0906 9.1419 130.7899 62.7165 32.8203 174.8718 78 Q 4.5686 8.6382 129.0707 54.1862 30.7081 174.6801 79 P 4.2638 0.0000 0.0000 65.7570 31.4568 177.6598 80 D 4.3995 7.8642 114.0728 54.3748 39.1862 176.7365 81 S 4.3181 8.2526 117.0954 58.5862 62.6214 168.9815 82 Q 4.2681 8.0600 120.6728 56.0150 29.0002 180.1538 83 L 4.8261 8.5004 126.8162 53.3285 43.5379 175.2253 84 C 4.9032 8.9589 123.9695 58.0824 30.9932 173.1832 85 V 4.9138 8.5115 116.8671 59.8159 34.7603 174.7620 86 T 5.2875 9.1010 121.2459 62.0094 72.2726 173.1797 87 A 4.6496 8.4226 126.1764 51.0041 22.8476 174.8745 88 I 4.1224 8.4729 116.9734 61.5814 38.7323 176.0494 89 E 4.8200 7.5357 118.2203 55.2495 32.5870 175.6042 90 A 4.5673 7.8948 121.5156 51.5265 21.4730 173.9828 *92 P 4.2711 0.0000 0.0000 63.1923 34.3289 177.1394 93 L 4.1173 8.7367 126.1816 56.4905 38.9555 180.4838 94 E 4.0954 9.4989 119.4330 59.2280 30.5259 180.1681 95 S 4.6502 8.0188 115.2364 59.7321 62.0455 180.8358 *96 F 4.7199 7.8726 120.8318 58.9871 42.4531 178.8532 97 S 4.5481 7.5886 118.6312 57.0378 63.8108 176.5281 *99 E 4.3851 8.1588 115.2353 57.9810 31.9980 177.2035 *100 N 4.6323 7.9281 121.1195 57.4283 37.7310 180.1470 101 I 3.9716 7.8857 123.4798 65.8923 35.4277 182.1997 102 K 4.3072 8.0439 127.6038 60.2524 31.7270 181.0160 103 N 4.5822 8.4189 123.8818 58.1445 37.0813 179.5683 104 L 4.3167 8.3240 127.1180 59.8830 40.8406 182.3283 105 L 4.2398 7.5419 122.3603 59.4156 40.9280 181.9707 106 A 4.2402 8.4722 124.6339 55.7336 18.2816 179.8600 107 E 3.8934 8.2593 116.4998 61.6086 29.5734 181.6140 108 A 4.3172 7.7698 122.8478 55.6034 18.7980 179.9856 109 K 4.0669 8.5588 125.3316 60.5129 31.2258 183.2481 110 K 4.1937 8.5341 126.7295 60.4633 31.8021 181.6780 111 N 4.6459 8.2698 122.3737 58.3380 37.5538 180.7512 112 V 4.0594 7.9395 124.2289 66.2879 31.4113 180.9552 113 S 4.4728 7.6937 118.8461 64.2807 62.1801 180.6580 114 S 4.6390 7.6756 121.0881 60.5358 62.3305 179.2155 *115 S 4.4585 8.2959 118.0034 60.6417 61.1725 181.7022 *118 R 4.4724 9.4239 121.1669 57.7405 32.3927 180.2749 119 E 4.0108 8.1917 114.0186 58.8300 29.9562 180.8196 120 A 4.2725 7.9685 120.7406 54.0228 18.3346 179.3227 121 A 4.0225 7.7261 121.9568 55.9758 18.4907 180.2350 122 E 3.9541 7.9265 115.2779 61.1837 29.6957 181.3137 123 A 4.3361 7.8690 120.1699 54.8451 17.8849 179.4089 124 A 4.0115 7.8479 122.2846 56.2660 18.1421 180.5285 125 I 3.8390 7.5961 119.4405 65.9285 35.4470 180.9701 126 Q 4.3428 8.2205 123.9925 60.7439 27.9800 182.5934 127 V 3.9199 7.6272 122.6071 66.7091 31.7487 181.3645 128 E 4.3233 8.2498 121.3987 61.5549 29.4702 181.8899 129 V 4.0603 7.5057 121.9137 66.3744 32.0756 180.8155 130 L 4.3935 8.6566 126.0107 60.0301 40.4242 181.4427 131 E 4.2467 8.8585 122.1723 61.8264 29.4138 181.8812 132 N 4.5533 8.2231 121.8572 58.2420 37.5242 179.9143 133 L 3.8667 7.7438 125.8410 59.6546 40.9093 181.2459 134 Q 4.5897 7.4440 122.4953 60.2650 28.7326 181.3176 135 S 4.6009 7.6712 121.2538 57.7538 60.6709 177.0212 136 V 4.0830 7.7400 122.8043 60.8911 32.1143 172.1168 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 L 8.18 4.35 0.00 1.71 1.73 1.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.97 4.35 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 14 F 8.20 6.22 0.00 3.05 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 15 A 8.04 4.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.69 0.00 1.36 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.30 0.00 2.03 2.12 0.00 3.58 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 2.05 0.00 18 H 7.88 4.45 0.00 3.21 3.42 0.00 5.66 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 19 E 7.28 4.45 0.00 2.06 1.76 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 2.10 2.08 0.00 20 T 8.31 4.52 4.15 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 1.18 0.00 0.00 21 L 7.59 4.07 0.00 1.12 1.33 0.21 0.90 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 22 Y 7.82 4.59 0.00 3.29 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 S 9.26 4.52 0.00 3.92 3.66 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 0.00 0.00 0.00 0.00 *26 E 8.98 4.19 0.00 2.01 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 0.00 2.13 1.88 0.00 27 V 8.12 4.69 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 0.90 0.00 0.00 0.88 0.00 0.00 28 T 7.97 4.43 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 1.21 0.00 0.00 29 Q 7.58 4.53 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 30 V 8.07 4.52 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 0.77 0.00 0.00 0.81 0.00 0.00 31 N 8.60 5.43 0.00 2.74 2.64 0.00 0.00 6.46 6.22 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 32 L 8.78 4.89 0.00 1.46 1.40 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.12 0.00 2.03 2.14 0.00 3.61 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 2.06 2.11 0.00 34 A 8.03 4.66 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 35 K 8.76 3.91 0.00 1.79 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 36 S 7.77 4.50 0.00 3.60 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 37 G 8.42 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.29 4.41 0.00 1.69 1.87 0.00 3.17 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 39 I 8.69 4.68 1.85 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 1.12 0.67 0.90 0.00 0.00 40 G 8.37 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 0.00 0.00 0.00 0.00 41 V 8.32 3.87 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 0.78 0.00 0.00 0.77 0.00 0.00 42 L 8.52 4.49 0.00 1.54 1.52 0.96 0.83 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 43 A 7.83 3.99 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 44 N 7.94 5.01 0.00 2.67 2.70 0.00 0.00 6.57 8.16 0.00 0.00 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 H 8.46 4.91 0.00 3.31 3.10 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.63 3.76 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 0.72 0.00 0.00 0.75 0.00 0.00 47 P 0.00 4.53 0.00 1.94 2.04 0.00 3.72 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 48 T 8.49 4.79 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 1.23 0.00 0.00 49 V 8.55 5.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.18 0.00 0.00 50 E 8.95 4.72 0.00 1.62 1.73 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 2.14 2.16 0.00 51 Q 8.37 3.16 0.00 1.65 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 52 L 9.20 4.46 0.00 1.34 1.50 0.95 0.45 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 53 L 8.42 4.28 0.00 1.43 1.45 0.92 0.83 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 54 P 0.00 4.48 0.00 1.93 2.10 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 55 G 7.50 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.39 4.37 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 0.72 0.00 0.00 0.93 0.00 0.00 57 V 9.22 4.70 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 0.79 0.00 0.00 0.95 0.00 0.00 58 E 8.81 5.16 0.00 2.00 1.68 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 2.17 2.38 0.00 59 V 8.22 4.59 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 0.77 0.00 0.00 0.93 0.00 0.00 60 M 7.93 5.11 0.00 1.85 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.31 0.00 61 E 8.57 4.92 0.00 1.94 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 2.26 2.36 0.00 62 G 8.94 4.47 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 0.00 63 S 7.47 4.52 0.00 3.93 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 64 N 8.51 4.63 0.00 2.75 2.76 0.00 0.00 7.11 8.16 0.00 0.00 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 S 8.60 5.00 0.00 3.66 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 66 K 8.52 4.40 0.00 1.38 1.68 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.34 1.01 7.81 67 K 8.35 4.92 0.00 1.51 1.60 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.01 7.81 68 F 8.76 5.12 0.00 3.13 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 69 F 8.82 4.96 0.00 3.03 3.09 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 70 I 6.80 4.84 1.89 0.00 0.00 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 1.08 1.55 0.84 0.00 0.00 71 S 9.15 4.31 0.00 3.99 4.02 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 72 G 8.15 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 0.00 0.00 0.00 0.00 73 G 7.09 4.60 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 74 F 8.99 4.90 0.00 2.94 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 75 A 9.11 5.22 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 76 T 8.73 4.55 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 1.33 0.00 0.00 77 V 9.14 4.09 2.31 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 0.89 0.00 0.00 0.88 0.00 0.00 78 Q 8.64 4.57 0.00 2.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 79 P 0.00 4.26 0.00 2.08 2.10 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 80 D 7.86 4.40 0.00 2.78 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 81 S 8.25 4.32 0.00 4.00 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 0.00 82 Q 8.06 4.27 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 83 L 8.50 4.83 0.00 1.58 1.54 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.96 4.90 0.00 2.92 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 85 V 8.51 4.91 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 0.75 0.00 0.00 0.49 0.00 0.00 86 T 9.10 5.29 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 1.27 0.00 0.00 87 A 8.42 4.65 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 88 I 8.47 4.12 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.95 0.00 0.00 89 E 7.54 4.82 0.00 2.04 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 2.36 2.26 0.00 90 A 7.89 4.57 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 *92 P 0.00 4.27 0.00 2.26 2.06 0.00 3.86 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 1.99 2.15 0.00 93 L 8.74 4.12 0.00 1.57 1.19 0.92 0.86 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 94 E 9.50 4.10 0.00 1.98 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 2.23 1.87 0.00 95 S 8.02 4.65 0.00 3.62 3.76 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 *96 F 7.87 4.72 0.00 2.23 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 0.00 0.00 0.00 97 S 7.59 4.55 0.00 3.73 3.69 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 *99 E 8.16 4.39 0.00 1.91 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 2.21 1.88 0.00 *100 N 7.93 4.63 0.00 2.72 2.84 0.00 0.00 6.78 7.62 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 0.00 101 I 7.89 3.97 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 1.50 0.53 0.91 0.00 0.00 102 K 8.04 4.31 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 103 N 8.42 4.58 0.00 2.69 2.86 0.00 0.00 7.21 6.21 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 0.00 104 L 8.32 4.32 0.00 1.64 1.72 0.92 0.54 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 0.00 105 L 7.54 4.24 0.00 1.73 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.47 4.24 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 0.00 107 E 8.26 3.89 0.00 2.00 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 2.25 2.21 0.00 108 A 7.77 4.32 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 0.00 109 K 8.56 4.07 0.00 1.76 1.79 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 110 K 8.53 4.19 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81 111 N 8.27 4.65 0.00 2.75 2.86 0.00 0.00 7.14 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 0.00 112 V 7.94 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 113 S 7.69 4.47 0.00 3.74 3.82 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 0.00 0.00 0.00 114 S 7.68 4.64 0.00 3.81 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 *115 S 8.30 4.46 0.00 3.64 3.29 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 *118 R 9.42 4.47 0.00 1.76 2.00 0.00 3.22 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 119 E 8.19 4.01 0.00 1.89 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 2.31 1.88 0.00 120 A 7.97 4.27 1.49 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 0.00 0.00 121 A 7.73 4.02 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 0.00 122 E 7.93 3.95 0.00 2.06 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 2.24 2.20 0.00 123 A 7.87 4.34 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 0.00 124 A 7.85 4.01 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 0.00 125 I 7.60 3.84 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 1.38 0.70 0.91 0.00 0.00 126 Q 8.22 4.34 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 127 V 7.63 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 128 E 8.25 4.32 0.00 1.97 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 2.31 1.94 0.00 129 V 7.51 4.06 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 0.90 0.00 0.00 0.93 0.00 0.00 130 L 8.66 4.39 0.00 1.59 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.86 4.25 0.00 1.91 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 2.26 2.23 0.00 132 N 8.22 4.55 0.00 2.74 2.86 0.00 0.00 7.16 6.90 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 0.00 133 L 7.74 3.87 0.00 1.77 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.44 4.59 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.22 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 135 S 7.67 4.60 0.00 3.58 3.73 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 0.00 136 V 7.74 4.08 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 0.78 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.