NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4490 8.3601 120.1954 53.8848 43.0533 175.2245 2 A 4.3599 7.9006 122.9942 50.2661 19.8536 175.7179 3 D 5.0183 8.2335 124.0876 52.1743 42.5396 172.9005 4 P 4.5567 0.0000 0.0000 66.0141 31.6846 178.3254 5 T 4.1020 8.0432 115.0217 66.4664 68.1062 176.0917 6 F 4.2723 8.0561 121.5880 61.2547 39.1890 176.5670 7 D 4.4366 7.9336 118.6075 57.3445 40.7021 178.3710 8 F 2.8793 8.2129 121.1768 61.1639 39.0294 177.1620 9 I 3.8948 7.8652 118.5417 63.5389 36.6142 178.2233 10 G 3.0408 8.1964 106.2605 46.5686 0.0000 173.7292 11 Y 4.2893 7.9733 118.8650 57.6984 38.0189 174.4454 12 L 5.2154 7.0818 119.2505 53.0294 44.6075 175.8360 13 E 4.8732 9.2007 121.0598 54.8130 33.6942 175.1505 14 T 4.9688 8.4737 112.1044 60.6867 70.7356 173.7253 15 L 4.8665 8.6425 122.6383 52.2930 44.6124 176.1147 16 P 4.3840 0.0000 0.0000 64.6687 31.5465 176.4840 17 Q 4.5597 7.4027 114.4650 54.6270 31.6283 175.5887 18 T 4.1179 8.1580 114.7879 62.7224 64.5467 173.4823 19 S 4.5996 7.7011 113.6156 57.3468 64.7420 174.6696 20 G 4.0477 8.3414 110.2429 45.8605 0.0000 173.8000 21 M 4.4084 8.9697 122.3245 56.2084 33.7028 175.0613 22 Y 4.8497 9.0995 117.9974 56.6419 40.3722 175.9800 23 M 4.7148 8.8234 124.9325 54.0398 29.7187 177.9210 24 G 4.0490 8.3141 110.3718 44.8762 0.0000 169.4231 25 N 4.4692 8.1181 116.5254 51.6310 39.7052 175.4804 26 A 4.1639 8.3905 122.0301 55.0140 18.7830 179.4782 27 S 4.1333 8.0452 110.0816 61.2586 63.3069 174.4429 28 I 3.7039 6.9931 122.2915 60.9484 38.4515 175.9525 29 I 3.8911 8.8016 121.6038 60.5280 36.1628 176.3892 30 P 4.0955 0.0000 0.0000 61.9655 31.1723 175.9266 31 R 4.1287 8.3400 122.3827 56.5581 30.6636 176.9413 32 N 4.7374 7.8886 117.6334 51.6342 39.2573 174.1972 33 Y 4.4599 7.9267 121.1098 60.2372 38.4432 177.9423 34 R 4.3496 8.1181 117.1031 57.3221 31.3210 177.3637 35 K 4.0555 8.1978 118.5665 57.9032 32.7777 175.6527 36 Y 5.5620 7.7346 117.8761 56.2333 39.2332 175.9930 37 L 4.2318 9.8133 128.5906 58.7083 42.1568 178.4108 38 Y 3.6120 8.2229 118.7202 60.9534 38.6488 177.6864 39 H 4.0919 8.4958 116.4161 58.7164 28.8671 177.3072 40 A 4.4637 8.7055 123.0434 55.5233 18.3049 178.7263 41 Y 2.4990 7.9707 118.2063 60.4582 38.5946 178.3432 42 L 3.2692 7.3844 119.2897 57.5964 41.6793 179.1918 43 A 3.7150 8.0369 120.5894 55.5569 18.1431 178.8044 44 Y 3.3158 7.6153 117.5666 60.7281 38.7583 177.8232 45 M 3.5713 7.4340 119.2636 58.4222 32.1549 178.3301 46 E 3.7859 8.1320 119.0570 59.4711 29.5747 178.8947 47 A 4.0443 7.8872 119.1478 54.2595 18.3516 178.2689 48 N 4.7338 7.5749 113.2880 52.4141 39.0041 175.0361 49 G 3.6156 7.8726 107.8042 46.9123 0.0000 173.4725 50 Y 4.3655 7.8868 117.3610 55.9007 39.5270 176.3920 51 R 4.1173 8.5909 124.0676 57.3050 31.0333 176.1465 52 N 4.7226 8.0816 115.2175 51.6763 37.3580 174.5468 53 V 4.5889 7.9290 116.1177 58.7956 34.7118 176.0351 54 L 4.2795 8.4689 122.6540 54.7211 42.1550 178.2046 55 S 4.5843 8.5124 117.0928 57.6990 65.2018 175.1596 56 L 3.2352 8.0981 123.2060 57.9282 41.6799 178.6227 57 K 3.8584 7.9392 118.8923 59.8427 32.1433 178.1112 58 M 3.9670 8.3274 118.4664 58.5779 32.1359 177.7296 59 F 3.9522 8.9807 121.6045 61.2028 39.2981 177.0186 60 G 3.7637 8.5801 104.3677 48.0355 0.0000 175.1798 61 L 4.1750 7.5999 120.4123 57.2768 41.9462 179.6113 62 G 3.5536 8.1596 105.6112 48.5577 0.0000 175.0830 63 L 3.1362 7.6324 120.3875 57.1820 42.1549 176.8840 64 P 4.1218 0.0000 0.0000 65.8440 31.5827 178.6957 65 V 3.4834 7.5469 116.0346 66.4438 31.6337 177.8193 66 M 4.0685 8.1015 118.2841 58.2738 31.6739 178.9180 67 L 4.1339 8.1253 119.3509 57.7583 41.7947 179.3749 68 K 4.0927 8.0788 119.5442 59.6540 31.8704 178.6510 69 E 4.0460 8.0941 117.9597 59.0140 29.4055 177.9034 70 Y 4.8805 7.6577 113.9387 57.4181 38.3164 175.6965 71 G 3.9142 8.4720 108.4802 46.5419 0.0000 173.5594 72 L 4.7672 8.1514 118.0907 52.4940 44.5723 176.2974 73 N 4.8539 8.4074 118.3642 51.4071 39.2986 174.4516 74 Y 4.1689 8.4817 124.9211 57.6886 39.9044 175.2085 75 E 4.3209 8.0754 127.8110 55.5936 33.8050 175.3787 76 K 5.0205 7.9835 127.2485 53.5668 35.7911 171.6916 77 R 4.4268 8.1824 116.4223 57.7975 34.0061 174.1810 *78 H 4.8013 9.0045 125.6413 55.4313 28.8909 171.7154 79 T 4.7269 9.0242 116.2947 59.0994 70.6878 174.3592 80 K 3.8058 8.8063 126.2690 59.0429 32.5688 176.9652 81 Q 4.3496 7.8830 120.1582 54.9347 28.7011 175.2304 82 G 3.9475 7.7642 109.2134 45.1089 0.0000 170.9516 83 I 4.7334 8.2690 119.3833 60.5470 38.7333 174.7971 84 Q 4.5332 9.1402 128.5279 54.5780 31.7004 174.7443 85 T 5.2521 9.0065 120.8140 59.3859 70.9136 173.5448 86 N 5.3055 8.1436 117.9589 52.7985 37.9599 174.0463 87 L 5.4575 7.5731 118.3275 54.6374 45.8559 176.2803 88 T 5.0104 9.0410 117.1930 61.7570 73.4734 173.1597 89 L 4.7005 8.5502 124.0180 54.4429 42.4719 177.2971 90 K 4.8731 8.8744 123.3931 55.8824 33.4111 178.2918 91 E 4.2307 8.9447 120.5185 59.8128 29.3861 179.3766 92 E 4.0823 8.3250 116.9514 59.3106 29.2077 179.1294 93 S 4.0989 7.8481 116.6577 61.9552 62.6333 175.8713 94 Y 3.8328 7.2737 117.7180 61.1307 37.7356 178.8645 95 G 3.8362 7.9731 104.0220 46.8806 0.0000 175.4585 96 D 4.6882 8.1010 120.8772 56.5694 41.1782 177.4528 97 W 5.0937 7.3096 111.5572 55.9820 30.6510 175.4073 98 L 3.5232 6.5270 120.5340 54.3593 41.5882 174.8107 99 P 4.3139 0.0000 0.0000 62.7546 31.9966 176.4570 100 K 4.1933 8.4860 119.7991 56.7275 32.1470 176.7698 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 D 8.36 4.45 0.00 2.66 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 2 A 7.90 4.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 5.02 0.00 2.74 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 4 P 0.00 4.56 0.00 1.78 1.49 0.00 3.97 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.62 0.00 5 T 8.04 4.10 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 1.11 0.00 0.00 6 F 8.06 4.27 0.00 2.89 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 7 D 7.93 4.44 0.00 3.06 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 8 F 8.21 2.88 0.00 2.25 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 9 I 7.87 3.89 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.90 1.06 0.00 0.00 10 G 8.20 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 0.00 0.00 0.00 11 Y 7.97 4.29 0.00 2.89 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 12 L 7.08 5.22 0.00 1.52 1.52 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.20 4.87 0.00 1.94 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 2.15 2.16 0.00 14 T 8.47 4.97 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 1.24 0.00 0.00 15 L 8.64 4.87 0.00 1.74 1.56 0.90 1.10 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 16 P 0.00 4.38 0.00 2.02 2.10 0.00 3.66 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 2.01 2.06 0.00 17 Q 7.40 4.56 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.40 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 18 T 8.16 4.12 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 1.16 0.00 0.00 19 S 7.70 4.60 0.00 3.77 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 20 G 8.34 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 0.00 0.00 0.00 21 M 8.97 4.41 0.00 2.09 2.23 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 2.73 2.75 0.00 22 Y 9.10 4.85 0.00 3.21 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 23 M 8.82 4.71 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.69 0.00 24 G 8.31 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 0.00 0.00 0.00 25 N 8.12 4.47 0.00 2.72 2.75 0.00 0.00 5.87 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 26 A 8.39 4.16 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 27 S 8.05 4.13 0.00 3.96 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 28 I 6.99 3.70 1.68 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.34 0.83 0.00 0.00 29 I 8.80 3.89 1.88 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 1.42 0.80 0.91 0.00 0.00 30 P 0.00 4.10 0.00 2.07 2.11 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 31 R 8.34 4.13 0.00 1.13 1.25 0.00 3.35 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 32 N 7.89 4.74 0.00 2.62 2.48 0.00 0.00 6.95 7.56 0.00 0.00 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 Y 7.93 4.46 0.00 3.13 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 34 R 8.12 4.35 0.00 1.85 2.06 0.00 3.29 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 35 K 8.20 4.06 0.00 1.68 1.17 0.00 1.30 0.00 0.00 0.86 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.59 1.20 7.81 36 Y 7.73 5.56 0.00 3.11 2.99 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 37 L 9.81 4.23 0.00 2.05 1.96 1.32 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.22 3.61 0.00 3.02 2.99 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 39 H 8.50 4.09 0.00 3.60 3.28 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.71 4.46 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 0.00 0.00 0.00 0.00 0.00 41 Y 7.97 2.50 0.00 2.14 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 0.00 0.00 0.00 0.00 42 L 7.38 3.27 0.00 1.76 1.50 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.04 3.71 1.13 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 44 Y 7.62 3.32 0.00 1.79 2.48 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 45 M 7.43 3.57 0.00 1.84 1.64 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.53 0.00 46 E 8.13 3.79 0.00 2.00 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 2.23 2.42 0.00 47 A 7.89 4.04 1.33 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 0.00 0.00 48 N 7.57 4.73 0.00 2.54 2.94 0.00 0.00 7.02 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 49 G 7.87 3.62 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 0.00 0.00 0.00 50 Y 7.89 4.37 0.00 2.95 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 51 R 8.59 4.12 0.00 1.76 1.95 0.00 3.21 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 52 N 8.08 4.72 0.00 2.88 2.90 0.00 0.00 5.84 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 53 V 7.93 4.59 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 0.54 0.00 0.00 0.95 0.00 0.00 54 L 8.47 4.28 0.00 1.92 1.77 0.90 0.77 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 55 S 8.51 4.58 0.00 4.06 4.06 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 56 L 8.10 3.24 0.00 0.96 1.40 0.45 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.94 3.86 0.00 1.87 1.78 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.56 7.81 58 M 8.33 3.97 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 59 F 8.98 3.95 0.00 3.22 3.30 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 60 G 8.58 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 0.00 0.00 0.00 61 L 7.60 4.17 0.00 1.59 1.69 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.16 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.14 0.00 1.50 0.93 0.65 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.12 0.00 2.11 2.11 0.00 3.67 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.73 0.00 65 V 7.55 3.48 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 0.87 0.00 0.00 66 M 8.10 4.07 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 67 L 8.13 4.13 0.00 1.91 1.82 1.18 0.97 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 68 K 8.08 4.09 0.00 2.17 1.81 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.56 7.81 69 E 8.09 4.05 0.00 2.11 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 2.24 2.38 0.00 70 Y 7.66 4.88 0.00 3.16 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 71 G 8.47 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 72 L 8.15 4.77 0.00 1.68 1.60 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.41 4.85 0.00 2.70 2.92 0.00 0.00 6.90 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 74 Y 8.48 4.17 0.00 2.95 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 75 E 8.08 4.32 0.00 1.76 1.61 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 2.38 2.31 0.00 76 K 7.98 5.02 0.00 1.51 1.58 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.96 7.81 77 R 8.18 4.43 0.00 1.79 1.73 0.00 3.09 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 *78 H 9.00 4.80 0.00 2.74 2.84 0.00 7.21 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 79 T 9.02 4.73 4.37 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 1.51 0.00 0.00 80 K 8.81 3.81 0.00 1.77 1.87 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.41 7.81 81 Q 7.88 4.35 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 82 G 7.76 3.95 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 0.00 0.00 0.00 83 I 8.27 4.73 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 1.04 0.00 0.00 84 Q 9.14 4.53 0.00 1.43 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 85 T 9.01 5.25 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 1.28 0.00 0.00 86 N 8.14 5.31 0.00 2.76 2.83 0.00 0.00 5.73 6.67 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 87 L 7.57 5.46 0.00 1.82 1.63 1.21 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 T 9.04 5.01 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 1.28 0.00 0.00 89 L 8.55 4.70 0.00 1.52 1.50 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.87 4.87 0.00 1.60 1.95 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.62 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.26 7.81 91 E 8.94 4.23 0.00 2.07 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 2.39 2.40 0.00 92 E 8.32 4.08 0.00 2.41 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 2.11 2.06 0.00 93 S 7.85 4.10 0.00 3.08 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 94 Y 7.27 3.83 0.00 3.05 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 95 G 7.97 3.84 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 0.00 0.00 0.00 96 D 8.10 4.69 0.00 3.06 3.20 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 97 W 7.31 5.09 0.00 3.50 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 98 L 6.53 3.52 0.00 0.66 1.17 0.27 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.31 0.00 2.08 1.92 0.00 3.49 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 1.25 1.87 0.00 100 K 8.49 4.19 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.