NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.6095 8.2548 109.1199 45.6035 0.0000 175.2913 17 I 3.8576 7.3664 120.3212 63.8056 37.2997 175.4436 18 T 3.9277 7.8894 116.4000 63.1190 69.9593 174.3203 19 G 3.4363 7.7828 113.5304 45.0677 0.0000 170.7298 20 T 4.5686 7.5183 117.8293 61.4937 70.2455 174.3131 21 W 4.8111 8.6888 126.2986 54.8654 33.1606 174.0971 22 Y 5.4714 9.4037 120.2565 56.4829 41.3429 175.0403 23 N 5.3128 8.7864 121.0889 50.3558 39.5724 174.7917 24 Q 4.1616 8.5932 115.4069 58.9329 29.0414 177.1272 25 L 4.3609 7.7137 117.8335 54.8817 41.5493 176.3046 26 G 4.3979 8.2772 111.5966 46.1227 0.0000 174.9774 27 S 4.3784 7.7059 114.9991 57.7899 64.0161 173.4636 28 T 5.0025 9.0457 119.0095 61.8687 72.9924 173.0010 29 F 5.1081 8.8999 119.4098 55.1831 41.7610 173.3586 30 I 4.6422 8.3999 122.8993 59.7264 39.2296 175.0364 31 V 4.9133 8.6614 120.4604 59.6668 35.8704 174.8886 32 T 4.6645 8.7327 119.7557 61.7874 71.1810 173.3500 33 A 4.6966 8.5408 129.9459 50.3898 18.6879 177.2725 34 G 3.8094 9.1819 110.7167 45.4689 0.0000 172.3706 35 A 4.1316 8.7409 122.6049 55.1199 18.6534 178.6650 36 D 4.5239 7.9381 116.6784 53.4383 39.9134 176.6031 37 G 3.3783 7.7150 106.5026 45.4202 0.0000 171.0286 38 A 4.6391 7.6323 121.4674 51.6101 20.0913 176.5490 39 L 5.2753 8.7735 122.2129 53.4910 45.1364 175.5324 40 T 4.9268 9.0593 115.7024 59.8560 72.6569 174.4625 41 G 4.3869 7.5973 107.8739 46.1937 0.0000 171.5090 42 T 5.1787 7.6323 108.4414 60.1013 72.9618 172.1296 43 Y 5.1135 9.4318 123.7757 55.9377 41.7560 174.0072 44 E 5.9633 9.0053 126.1294 53.8916 33.2192 175.6019 45 S 4.9853 9.0051 118.5689 58.7602 65.8924 174.1030 *49 N 4.4095 8.0429 115.8984 51.9583 38.2906 174.8334 50 A 3.8765 8.4668 122.3773 55.6794 18.3828 179.7356 51 E 3.9076 7.8414 113.0256 58.4834 29.9204 177.5050 52 S 4.8495 8.6059 114.5880 58.1879 64.3465 173.4110 53 R 5.2254 7.5292 119.2647 54.9228 31.6936 175.4449 54 Y 4.9299 9.6912 120.8476 55.9601 42.6546 174.9359 55 V 4.3056 8.6109 122.3159 62.8743 32.6678 175.0810 56 L 5.1278 8.8246 127.1116 54.4661 43.8017 175.1305 57 T 4.9653 8.4808 113.9102 61.4929 71.5137 173.2336 58 G 4.6102 8.8224 112.6628 46.4582 0.0000 171.8717 59 R 5.6011 8.7024 117.5423 55.1510 34.9086 174.1143 60 Y 5.2881 8.6158 119.1029 55.2630 41.9231 174.6488 61 D 4.3098 9.1067 120.8067 54.0678 40.5843 176.7258 62 S 4.3132 8.1712 120.4181 58.9493 63.7226 175.0383 63 A 4.6594 8.2566 124.0338 50.5245 19.2556 173.5886 64 P 4.9315 0.0000 0.0000 60.6735 32.7580 176.6891 65 A 4.2868 8.3215 122.1046 52.6779 18.7524 177.2553 66 T 4.6411 8.1754 106.4314 61.4105 69.3425 174.6758 67 D 4.4177 8.0985 120.8625 54.6100 39.7465 176.8972 68 G 4.0850 8.2652 107.9195 45.4391 0.0000 174.0553 69 S 4.3363 9.0859 116.7258 57.9827 63.4109 174.1779 70 G 4.0069 8.3259 110.2151 46.2333 0.0000 172.7960 71 T 4.7723 8.7695 116.5390 61.7200 69.9668 174.9182 72 A 4.7932 8.6868 129.5799 52.1054 20.0380 176.0069 73 L 5.2151 8.8981 121.2404 55.3441 44.8811 174.3075 74 G 4.5812 9.3948 104.5979 45.8201 0.0000 172.3169 75 W 5.5763 8.4422 116.7984 55.8519 32.1656 173.2950 76 T 5.2247 9.0810 116.6212 61.7995 72.1091 173.4314 77 V 4.3546 8.6588 124.4639 60.8766 34.3684 174.0088 78 A 4.4391 8.2966 130.2189 50.0148 19.4998 178.0826 79 W 4.0640 8.2093 126.8470 55.8885 28.2362 176.2552 80 K 5.2205 7.7666 118.4109 54.6223 35.0795 174.4928 81 N 5.1109 8.9036 122.4718 51.7854 39.8701 174.2323 82 N 4.2974 8.6705 114.2224 55.0004 38.6195 174.9833 83 Y 4.6843 8.4234 114.9055 57.7511 40.1536 175.6419 84 R 4.7249 7.7493 117.5374 55.1593 34.5184 173.9353 85 N 5.1523 8.4915 118.4367 52.8198 40.8578 173.9559 86 A 4.3357 9.0277 128.7459 51.7988 19.8458 176.0992 87 H 4.1740 8.6484 113.3463 56.0297 26.8623 173.7650 88 S 5.1453 7.5630 111.0479 57.6673 66.9672 173.4902 89 A 5.0399 9.0769 121.1610 50.7833 22.7348 175.2288 90 T 4.9194 8.8565 118.6964 61.7514 71.6431 173.4935 91 T 4.9857 8.6978 115.4335 59.6134 71.9881 172.7207 92 W 5.0066 8.9084 124.7289 54.7810 32.2318 174.4367 93 S 4.8100 8.9990 119.6076 57.0086 64.6872 172.7830 94 G 4.1403 8.3559 114.3069 46.4208 0.0000 171.5579 95 Q 5.3267 8.6671 117.8447 54.6857 32.8070 173.7188 96 Y 4.7276 9.1734 123.5765 57.3514 40.3944 174.2221 97 V 4.1332 8.9000 127.5184 60.9200 33.6253 175.2928 98 G 3.5807 7.7343 116.1071 44.9634 0.0000 168.7273 99 G 3.9434 8.6588 103.3392 44.2029 0.0000 173.2009 100 A 4.0851 8.7166 121.0803 54.8173 19.2154 178.7424 101 E 4.3551 7.7657 117.0249 54.3485 28.1510 175.0538 102 A 4.5488 7.6876 122.2097 52.4275 19.5726 178.0014 103 R 5.2912 9.3799 117.8608 55.0028 33.9937 174.0627 104 I 4.7711 8.8945 121.3260 59.8945 39.5894 174.3594 105 N 5.4087 9.0916 126.0332 52.1738 40.2443 174.6679 106 T 5.2950 9.4198 113.7111 60.1229 73.0503 172.7393 107 Q 5.3060 9.2901 121.5616 53.9923 32.2091 174.7228 108 W 5.4235 8.5395 118.3699 54.8579 32.4900 173.7826 109 L 5.2864 8.9053 120.2301 52.8931 44.9498 175.2563 110 L 5.1093 9.2897 126.2132 53.7088 44.4172 174.9236 111 T 5.0829 8.8303 123.3447 61.9452 71.3213 173.4809 112 S 5.1271 8.7871 122.2892 56.3736 65.1418 174.3393 113 G 3.8148 8.7204 112.2132 46.8197 0.0000 172.9771 114 T 4.7890 8.3520 115.4533 59.2801 72.2261 173.5774 115 T 4.2621 8.0399 112.2590 61.0268 70.1016 175.3631 116 E 3.9164 8.8459 121.0255 59.5593 29.5558 179.6927 117 A 4.1536 8.0959 119.9164 54.4712 18.7559 177.5641 118 N 4.8084 8.0593 111.3612 52.8089 39.6256 176.2062 119 A 4.1397 8.2027 123.9151 54.4076 18.5149 180.3710 120 F 4.3407 8.4135 109.8089 58.8688 37.8456 175.6131 121 K 4.4632 6.6827 121.0322 56.2649 32.6549 177.0619 122 S 4.3249 8.0273 115.1064 60.4523 63.8684 173.2558 123 T 5.0908 7.5665 117.3267 61.8208 71.0382 173.3009 124 L 4.7225 8.8784 127.1982 53.4045 43.8222 176.1770 125 V 4.2853 7.6893 121.1033 60.3054 34.4498 175.4353 126 G 3.2890 6.2750 107.3934 45.9945 0.0000 171.4799 127 H 5.5365 8.2915 114.0706 54.2784 31.9614 172.3888 128 D 4.9726 9.4674 118.5453 53.3027 44.8577 173.8199 129 T 5.2954 8.1792 118.2548 61.8854 71.6321 172.9427 130 F 5.5124 9.7565 125.4189 56.0345 42.0436 174.8268 131 T 5.4972 9.5357 112.6338 60.0466 71.9940 174.7573 132 K 3.7810 8.8032 119.6475 57.2153 32.7159 177.5099 133 V 3.8694 7.7062 122.8765 62.7753 31.4810 175.0880 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 16 G 8.25 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 17 I 7.37 3.86 1.40 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.61 0.00 0.00 18 T 7.89 3.93 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 1.13 0.00 0.00 19 G 7.78 3.44 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 0.00 20 T 7.52 4.57 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 0.67 0.00 0.00 21 W 8.69 4.81 0.00 1.88 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 22 Y 9.40 5.47 0.00 2.97 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 23 N 8.79 5.31 0.00 2.51 2.07 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 24 Q 8.59 4.16 0.00 2.26 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.19 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 25 L 7.71 4.36 0.00 1.71 1.77 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.28 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 0.00 0.00 0.00 0.00 27 S 7.71 4.38 0.00 4.27 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 T 9.05 5.00 4.19 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 0.89 0.00 0.00 29 F 8.90 5.11 0.00 2.83 2.51 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 30 I 8.40 4.64 1.80 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 1.03 0.63 0.81 0.00 0.00 31 V 8.66 4.91 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 0.58 0.00 0.00 0.82 0.00 0.00 32 T 8.73 4.66 4.20 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 1.18 0.00 0.00 33 A 8.54 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.18 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.74 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 36 D 7.94 4.52 0.00 2.66 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 37 G 7.72 3.38 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 38 A 7.63 4.64 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 39 L 8.77 5.28 0.00 1.90 1.48 0.66 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.06 4.93 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 41 G 7.60 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 42 T 7.63 5.18 4.36 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 1.22 0.00 0.00 43 Y 9.43 5.11 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 44 E 9.01 5.96 0.00 2.13 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 2.22 2.19 0.00 45 S 9.01 4.99 0.00 3.90 4.01 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 0.00 0.00 0.00 *49 N 8.04 4.41 0.00 2.98 2.95 0.00 0.00 6.14 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 50 A 8.47 3.88 1.11 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 51 E 7.84 3.91 0.00 1.85 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 2.20 1.88 0.00 52 S 8.61 4.85 0.00 4.12 4.01 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 0.00 0.00 0.00 53 R 7.53 5.23 0.00 1.60 1.84 0.00 3.09 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 54 Y 9.69 4.93 0.00 2.77 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 55 V 8.61 4.31 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.82 5.13 0.00 1.87 1.66 0.55 0.01 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 57 T 8.48 4.97 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 1.24 0.00 0.00 58 G 8.82 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 59 R 8.70 5.60 0.00 1.77 1.79 0.00 3.29 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 60 Y 8.62 5.29 0.00 3.09 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 61 D 9.11 4.31 0.00 2.80 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 S 8.17 4.31 0.00 3.88 3.45 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 63 A 8.26 4.66 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 64 P 0.00 4.93 0.00 2.27 2.18 0.00 3.45 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 65 A 8.32 4.29 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 66 T 8.18 4.64 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 1.24 0.00 0.00 67 D 8.10 4.42 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.27 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 69 S 9.09 4.34 0.00 3.88 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 70 G 8.33 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.77 4.77 4.59 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 0.00 0.00 1.44 0.00 0.00 72 A 8.69 4.79 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 73 L 8.90 5.22 0.00 2.04 1.98 1.24 0.33 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 74 G 9.39 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.44 5.58 0.00 3.44 3.16 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 76 T 9.08 5.22 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 1.16 0.00 0.00 77 V 8.66 4.35 1.51 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 -0.74 0.00 0.00 0.78 0.00 0.00 78 A 8.30 4.44 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 79 W 8.21 4.06 0.00 3.31 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 80 K 7.77 5.22 0.00 1.94 1.71 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.43 7.81 81 N 8.90 5.11 0.00 2.93 2.87 0.00 0.00 6.72 6.55 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 82 N 8.67 4.30 0.00 1.91 2.36 0.00 0.00 6.57 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 83 Y 8.42 4.68 0.00 2.89 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 84 R 7.75 4.72 0.00 2.34 1.97 0.00 3.40 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 N 8.49 5.15 0.00 2.63 2.58 0.00 0.00 6.94 7.96 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 86 A 9.03 4.34 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 87 H 8.65 4.17 0.00 3.38 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.56 5.15 0.00 4.01 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 89 A 9.08 5.04 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 90 T 8.86 4.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 91 T 8.70 4.99 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 1.16 0.00 0.00 92 W 8.91 5.01 0.00 1.78 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 0.00 0.00 0.00 93 S 9.00 4.81 0.00 3.78 3.67 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 0.00 0.00 0.00 0.00 94 G 8.36 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 95 Q 8.67 5.33 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.17 4.73 0.00 3.03 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 97 V 8.90 4.13 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 0.92 0.00 0.00 0.91 0.00 0.00 98 G 7.73 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.66 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 0.00 100 A 8.72 4.09 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 0.00 101 E 7.77 4.36 0.00 1.94 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 2.26 2.40 0.00 102 A 7.69 4.55 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 0.00 103 R 9.38 5.29 0.00 2.10 2.29 0.00 2.82 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.04 0.00 104 I 8.89 4.77 1.84 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 1.10 0.00 0.00 105 N 9.09 5.41 0.00 2.73 2.82 0.00 0.00 6.08 6.63 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 0.00 106 T 9.42 5.30 4.45 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 1.42 0.00 0.00 107 Q 9.29 5.31 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 108 W 8.54 5.42 0.00 2.78 2.45 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 0.00 109 L 8.91 5.29 0.00 1.51 1.53 0.87 0.66 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 0.00 110 L 9.29 5.11 0.00 1.69 1.76 0.95 0.36 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 0.00 111 T 8.83 5.08 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 1.19 0.00 0.00 112 S 8.79 5.13 0.00 3.67 3.74 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 0.00 113 G 8.72 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.35 4.79 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 1.21 0.00 0.00 115 T 8.04 4.26 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 1.21 0.00 0.00 116 E 8.85 3.92 0.00 2.11 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 2.41 2.39 0.00 117 A 8.10 4.15 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 0.00 118 N 8.06 4.81 0.00 2.69 2.61 0.00 0.00 6.71 7.55 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 0.00 119 A 8.20 4.14 1.38 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 0.00 120 F 8.41 4.34 0.00 3.18 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 0.00 121 K 6.68 4.46 0.00 1.62 1.50 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.79 7.81 122 S 8.03 4.32 0.00 4.15 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 0.00 123 T 7.57 5.09 4.21 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 1.22 0.00 0.00 124 L 8.88 4.72 0.00 1.78 1.71 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.69 4.29 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 0.51 0.00 0.00 0.67 0.00 0.00 126 G 6.28 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 0.00 0.00 0.00 127 H 8.29 5.54 0.00 3.21 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.47 4.97 0.00 3.25 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.18 5.30 4.32 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 1.38 0.00 0.00 130 F 9.76 5.51 0.00 3.09 3.24 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 0.00 131 T 9.54 5.50 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 1.42 0.00 0.00 132 K 8.80 3.78 0.00 1.57 1.59 0.00 1.30 0.00 0.00 0.71 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.85 7.81 133 V 7.71 3.87 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 0.71 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.