NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3518 0.0000 0.0000 61.9907 32.8094 175.6586 6 P 4.2634 0.0000 0.0000 63.0401 31.9601 176.7988 7 S 3.4730 7.1374 112.7406 59.9943 63.9277 175.7288 8 T 3.8977 7.8221 113.6947 64.9289 68.1229 175.6975 9 A 3.9736 7.9371 122.8033 54.9052 18.4824 179.1564 10 L 4.1592 8.2443 118.1293 58.5278 42.5060 178.5685 11 R 3.9580 8.6057 119.4014 59.7125 29.9155 177.8339 12 E 4.1843 8.3158 116.6204 58.5300 30.0143 178.3814 13 L 4.0044 8.0695 121.3895 58.0869 42.1040 178.8169 14 I 3.6877 8.3501 119.9767 64.5387 36.9970 177.9150 15 E 3.9136 7.9521 118.6414 59.5567 29.3584 178.8224 16 E 3.9281 8.1574 118.9674 59.7355 29.4069 179.0857 17 L 4.0354 7.8956 117.2082 57.5707 41.9696 179.3820 18 V 3.7142 7.9948 118.6279 66.3973 31.4682 176.9392 19 N 4.2718 8.4917 117.0235 57.1900 38.4201 176.0327 20 I 3.9977 7.7898 110.9076 62.2172 37.6153 176.3775 21 T 4.5065 7.6930 116.7355 64.0337 70.5985 175.1254 22 Q 4.2982 8.1762 121.0770 57.4267 29.8377 176.6451 23 N 4.8033 8.4506 113.3465 51.6884 37.8823 177.6646 24 Q 4.2865 8.0191 120.2983 56.7572 28.3773 176.7227 25 K 4.0152 8.5854 124.7792 57.0252 32.2441 174.2413 26 A 4.5363 7.6450 121.3975 49.8634 20.1423 174.8976 27 P 4.0182 0.0000 0.0000 62.0882 31.6713 176.2988 28 L 3.9238 8.8159 125.6643 56.4876 43.0846 177.3396 29 C 4.4046 9.1908 123.0248 59.7095 37.5283 172.5977 30 N 4.1545 9.2274 109.5385 54.3051 37.4351 174.2205 31 G 3.8695 7.7984 100.8305 45.1418 0.0000 174.4075 32 S 4.1212 7.9576 114.9944 58.9926 63.4604 173.2271 33 M 5.0312 8.3712 123.7499 54.0848 33.8268 175.7417 34 V 4.3778 8.1092 113.8550 59.0370 36.1625 175.4003 35 W 4.7071 8.5834 123.4379 56.9911 29.4561 176.3863 36 S 4.8610 9.2349 119.9092 58.2518 63.4672 173.5947 37 I 4.5177 8.0667 114.2265 58.7026 40.0236 174.8831 38 N 4.4360 8.5091 120.4142 53.3842 38.6720 175.9615 39 L 4.2449 8.1268 128.7467 53.2144 40.2256 176.8794 40 T 4.2715 6.9835 110.3047 60.9541 71.1650 174.1884 41 A 4.0342 8.6769 124.1477 53.5244 19.5575 177.4505 42 G 4.1066 8.6557 107.1638 47.3718 0.0000 173.3953 43 M 4.6123 7.5373 114.6920 55.9769 34.4212 177.9864 44 Y 4.0507 8.2580 116.9146 61.4214 37.8472 179.4706 45 C 4.3746 8.3473 116.4095 59.8017 40.9519 175.6384 46 A 4.0357 8.0485 121.7010 55.3571 18.0140 179.2913 47 A 4.2722 9.1819 120.0729 55.4543 18.5407 179.6574 48 L 4.0202 7.9909 118.6502 58.2540 41.9608 178.9986 49 E 3.9135 8.4494 118.2834 59.1536 29.7641 179.1344 50 S 4.5314 8.5301 113.4845 61.6361 62.6209 176.1560 51 L 4.0390 7.8344 120.8353 56.6983 41.1898 178.9070 52 I 3.7166 7.4594 117.7114 63.2135 37.9755 176.5265 53 N 4.8329 7.5142 114.1349 53.3586 39.3336 175.7317 54 V 3.9157 7.6090 121.6377 61.5042 30.2487 174.1088 55 S 4.6113 7.9801 120.0017 57.4892 64.5547 174.9964 56 G 3.9502 8.9138 111.0447 45.3120 0.0000 173.6713 57 C 4.7339 7.8748 119.8885 54.8219 45.0857 173.3056 58 S 4.0943 8.5649 121.9100 59.9588 63.5175 176.0035 59 A 3.9549 8.1499 123.7491 54.5338 18.4071 177.8609 60 I 4.4430 7.4938 107.8263 60.8514 38.3854 177.4665 61 E 3.8882 8.4411 123.1320 60.1054 29.4449 178.4562 62 K 3.9323 8.0274 117.7967 59.9125 32.2920 178.9234 63 T 3.9304 8.0574 115.2775 67.1232 68.3614 176.2995 64 Q 3.9872 7.9917 118.9841 59.0162 28.5752 178.6254 65 R 3.9343 7.8647 118.2947 59.8424 30.2269 178.1012 66 M 4.3156 8.7433 118.6634 58.5071 31.9054 178.7504 67 L 4.3702 8.1497 118.8588 57.2956 41.6149 179.5795 68 S 4.2970 8.0564 114.5887 61.0208 62.7642 176.1652 69 G 3.7188 7.8095 107.4955 46.0325 0.0000 174.9077 70 F 4.1586 7.7984 118.6118 57.1026 39.3118 174.3479 71 C 4.8131 7.1784 119.5605 53.9467 44.5140 170.9647 72 P 4.1932 0.0000 0.0000 66.0908 31.1985 176.4247 73 H 4.7011 7.5592 112.3672 54.0028 30.0517 174.8079 74 K 4.1222 8.3961 121.4138 56.2610 32.6674 176.1060 75 V 4.6283 8.1381 123.6391 60.2655 33.7794 174.9364 76 S 4.7597 8.2183 121.8458 56.1601 65.4703 173.3503 77 A 4.0112 8.1812 125.3053 53.5722 18.5844 178.3975 78 G 3.9642 8.4672 109.4906 45.4994 0.0000 173.0822 79 Q 4.4673 7.0650 121.2660 54.5732 30.6616 175.3164 80 F 5.4258 8.0756 122.1623 56.6807 40.5778 174.1209 81 S 4.3790 8.3813 118.5033 61.0660 64.0350 176.9505 82 S 4.1730 8.2588 116.4458 60.0079 62.9837 175.0998 83 L 4.2896 8.2652 123.0024 54.7002 39.2146 175.9619 84 H 4.3419 7.7333 119.7869 57.6578 29.6012 175.8664 85 V 3.6801 7.4792 120.7242 61.4148 31.8136 176.3197 86 R 4.0269 8.0238 124.6349 53.9007 30.1949 174.7250 87 D 4.9330 8.3175 117.5697 52.8981 41.5898 175.6007 88 T 4.6536 7.7494 115.8625 63.1036 72.8497 172.3512 *90 I 4.2301 8.2857 114.3253 61.1514 39.6637 174.9197 91 E 4.4116 8.5790 122.2787 56.6170 30.0887 178.2025 92 V 3.5332 8.7467 123.3040 66.5732 31.3123 178.4813 93 A 4.0534 7.9620 119.6884 55.0978 18.2017 179.1847 94 Q 3.9650 8.2179 118.2312 58.9222 29.1338 177.9865 95 F 3.9447 8.1221 121.4575 61.3853 39.4744 177.3491 96 V 3.9823 8.2266 111.9379 63.9925 31.4513 178.6864 97 K 3.8609 7.8869 118.5813 59.4417 31.9772 179.1069 98 D 4.2062 8.2672 119.2011 57.1881 40.8307 178.1857 99 L 3.7168 7.9688 121.0727 58.2208 42.0128 178.5984 100 L 3.9006 8.4499 120.5966 58.4186 41.9656 178.1992 101 L 3.8355 7.8898 119.8406 58.7160 41.8905 178.1109 102 H 3.9524 8.2057 117.1815 59.4664 29.6776 177.1081 103 L 3.9439 7.9997 120.3229 57.9751 41.5702 179.4182 104 K 3.8888 8.0390 118.2220 59.8987 31.9294 178.6670 105 K 3.8576 8.1297 119.5770 59.4420 32.0770 178.3923 106 L 3.8560 8.3892 119.1804 57.9419 41.6474 179.2778 107 F 3.9860 8.9038 120.5784 61.5946 39.0902 176.8859 108 R 4.0638 8.5000 117.0849 59.7396 29.8427 177.3464 109 E 4.3063 8.1179 115.0057 55.2693 30.0033 176.7369 110 G 3.4778 7.8950 106.9575 46.8482 0.0000 174.6890 111 R 4.1747 7.2584 116.2126 54.1089 32.7389 176.4377 112 F 5.2909 8.3990 121.9948 56.3581 40.0943 174.9679 113 N 4.1078 8.4142 123.8271 53.9846 36.4508 174.0591 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 5 P 0.00 4.35 0.00 1.96 2.00 0.00 3.59 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 1.88 2.07 0.00 6 P 0.00 4.26 0.00 1.90 2.05 0.00 3.41 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 7 S 7.14 3.47 0.00 3.57 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 8 T 7.82 3.90 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 1.18 0.00 0.00 9 A 7.94 3.97 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 10 L 8.24 4.16 0.00 2.24 2.22 1.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.61 3.96 0.00 2.22 2.00 0.00 3.23 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 12 E 8.32 4.18 0.00 2.29 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 2.65 2.38 0.00 13 L 8.07 4.00 0.00 1.98 2.08 0.98 1.03 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 14 I 8.35 3.69 2.07 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 1.55 0.81 0.83 0.00 0.00 15 E 7.95 3.91 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 16 E 8.16 3.93 0.00 2.12 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 2.35 2.45 0.00 17 L 7.90 4.04 0.00 1.81 1.73 0.93 0.83 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 18 V 7.99 3.71 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 0.98 0.00 0.00 0.93 0.00 0.00 19 N 8.49 4.27 0.00 2.90 2.86 0.00 0.00 7.04 8.21 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 20 I 7.79 4.00 1.88 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 1.54 0.73 1.04 0.00 0.00 21 T 7.69 4.51 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 1.21 0.00 0.00 22 Q 8.18 4.30 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.35 0.00 0.00 0.00 0.00 0.00 2.61 2.27 0.00 23 N 8.45 4.80 0.00 2.68 2.66 0.00 0.00 7.06 7.23 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 24 Q 8.02 4.29 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 25 K 8.59 4.02 0.00 1.80 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 26 A 7.64 4.54 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 27 P 0.00 4.02 0.00 2.05 2.03 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 28 L 8.82 3.92 0.00 1.72 1.55 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 C 9.19 4.40 0.00 3.14 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 30 N 9.23 4.15 0.00 2.74 2.79 0.00 0.00 7.25 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 31 G 7.80 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 32 S 7.96 4.12 0.00 3.87 3.75 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 33 M 8.37 5.03 0.00 1.76 1.78 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 34 V 8.11 4.38 1.72 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 0.44 0.00 0.00 0.76 0.00 0.00 35 W 8.58 4.71 0.00 3.29 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 36 S 9.23 4.86 0.00 3.95 3.99 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 I 8.07 4.52 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 1.19 0.00 0.00 38 N 8.51 4.44 0.00 2.70 2.79 0.00 0.00 7.06 7.78 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 39 L 8.13 4.24 0.00 1.58 1.44 0.80 0.58 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 40 T 6.98 4.27 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 41 A 8.68 4.03 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 42 G 8.66 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 43 M 7.54 4.61 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 44 Y 8.26 4.05 0.00 3.08 3.12 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 45 C 8.35 4.37 0.00 3.05 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 46 A 8.05 4.04 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 47 A 9.18 4.27 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 48 L 7.99 4.02 0.00 2.02 1.85 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.45 3.91 0.00 2.23 2.00 0.00 0.00 0.00 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 2.58 0.00 50 S 8.53 4.53 0.00 4.19 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 51 L 7.83 4.04 0.00 1.70 1.61 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.46 3.72 2.04 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 1.49 0.59 0.89 0.00 0.00 53 N 7.51 4.83 0.00 3.01 2.89 0.00 0.00 6.89 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 54 V 7.61 3.92 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 0.74 0.00 0.00 0.84 0.00 0.00 55 S 7.98 4.61 0.00 4.00 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 56 G 8.91 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 57 C 7.87 4.73 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 58 S 8.56 4.09 0.00 4.04 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 59 A 8.15 3.95 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 60 I 7.49 4.44 1.87 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 1.40 0.82 0.91 0.00 0.00 61 E 8.44 3.89 0.00 2.16 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 2.31 2.41 0.00 62 K 8.03 3.93 0.00 1.96 1.87 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.56 7.81 63 T 8.06 3.93 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 1.27 0.00 0.00 64 Q 7.99 3.99 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 65 R 7.86 3.93 0.00 1.94 2.16 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 66 M 8.74 4.32 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.66 0.00 67 L 8.15 4.37 0.00 2.01 1.86 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.06 4.30 0.00 4.06 4.16 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 69 G 7.81 3.72 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 0.00 0.00 0.00 70 F 7.80 4.16 0.00 3.06 2.55 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 71 C 7.18 4.81 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 72 P 0.00 4.19 0.00 2.11 2.12 0.00 3.70 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 2.07 2.12 0.00 73 H 7.56 4.70 0.00 3.23 3.33 0.00 5.72 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 74 K 8.40 4.12 0.00 1.73 1.77 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.50 7.81 75 V 8.14 4.63 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 1.00 0.00 0.00 0.99 0.00 0.00 76 S 8.22 4.76 0.00 3.86 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 77 A 8.18 4.01 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 G 8.47 3.96 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 0.00 79 Q 7.06 4.47 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 80 F 8.08 5.43 0.00 2.99 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 81 S 8.38 4.38 0.00 3.98 3.96 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 82 S 8.26 4.17 0.00 3.95 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 0.00 83 L 8.27 4.29 0.00 1.78 1.91 0.99 1.66 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 84 H 7.73 4.34 0.00 3.18 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.48 3.68 2.05 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 0.70 0.00 0.00 0.96 0.00 0.00 86 R 8.02 4.03 0.00 0.82 0.66 0.00 2.21 0.00 0.00 2.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 87 D 8.32 4.93 0.00 2.75 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 88 T 7.75 4.65 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 1.26 0.00 0.00 *90 I 8.29 4.23 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.95 0.00 0.00 91 E 8.58 4.41 0.00 1.96 1.92 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 2.38 2.31 0.00 92 V 8.75 3.53 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 1.00 0.00 0.00 0.91 0.00 0.00 93 A 7.96 4.05 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 94 Q 8.22 3.97 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 95 F 8.12 3.94 0.00 3.23 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 96 V 8.23 3.98 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 1.02 0.00 0.00 1.08 0.00 0.00 97 K 7.89 3.86 0.00 1.89 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.65 7.81 98 D 8.27 4.21 0.00 2.69 2.53 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 0.00 0.00 0.00 0.00 99 L 7.97 3.72 0.00 1.55 1.78 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.45 3.90 0.00 1.76 1.92 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.89 3.84 0.00 1.91 1.79 0.90 0.80 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 0.00 102 H 8.21 3.95 0.00 3.26 3.33 0.00 5.84 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 0.00 103 L 8.00 3.94 0.00 1.90 1.73 0.88 0.51 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 0.00 104 K 8.04 3.89 0.00 1.97 1.89 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 105 K 8.13 3.86 0.00 1.74 1.76 0.00 1.52 0.00 0.00 1.50 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 106 L 8.39 3.86 0.00 1.84 1.71 0.98 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 0.00 107 F 8.90 3.99 0.00 3.17 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 0.00 108 R 8.50 4.06 0.00 1.89 2.33 0.00 3.40 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 109 E 8.12 4.31 0.00 1.87 1.87 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 2.30 2.51 0.00 110 G 7.90 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 0.00 111 R 7.26 4.17 0.00 1.65 1.71 0.00 3.28 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 112 F 8.40 5.29 0.00 3.05 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 0.00 113 N 8.41 4.11 0.00 2.81 2.73 0.00 0.00 6.08 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 * Residues marked with a * may have inaccurate shift predictions.