NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6393 8.1648 122.9822 52.6287 19.4743 176.1603 2 T 4.2125 7.4978 119.3494 62.3445 70.6782 172.5673 3 K 5.2822 8.8222 123.2415 55.2716 37.5897 174.5872 4 A 5.2320 8.8937 122.4504 51.2762 23.2760 175.3579 5 V 5.0222 8.9564 118.0874 60.9839 35.7435 173.4709 6 C 4.8658 9.0084 120.8697 58.1977 35.6519 172.4913 7 V 4.5917 8.4784 126.0324 61.3731 33.1481 174.1314 8 L 4.9078 8.8662 129.0245 53.9652 43.3034 176.1120 9 K 4.7891 9.1405 121.9116 55.8398 37.2889 175.9251 10 G 4.1578 7.8863 108.2879 46.0234 0.0000 172.4844 11 D 4.4781 8.7641 118.1962 56.3708 41.5646 177.1615 12 G 4.1066 7.6412 109.4650 44.3451 0.0000 171.5475 13 P 4.4726 0.0000 0.0000 63.3818 32.1654 176.3016 14 V 4.1575 7.5698 120.6966 63.2355 32.0363 174.9317 15 Q 4.9300 8.0026 123.7184 56.6703 32.3368 173.6922 16 G 4.0405 7.8522 106.0177 46.4234 0.0000 171.4567 17 I 5.1890 7.9898 119.2407 59.6467 41.2873 174.9965 18 I 4.6798 8.7566 127.2103 59.4169 40.6921 174.3431 19 N 5.1910 8.3669 122.2151 51.2566 42.1513 173.5201 20 F 5.3861 9.0218 119.8361 55.9286 43.5288 173.8860 21 E 5.1863 9.3975 122.3290 55.2300 33.4318 173.6761 22 Q 4.9282 9.2154 127.6832 54.1455 30.6573 175.6108 23 K 4.1330 8.8956 126.0861 58.2885 32.8163 177.5806 24 E 4.7178 7.7698 117.6342 54.2277 33.3404 176.0984 25 S 4.0289 8.7420 118.5383 61.1806 62.5014 175.0632 26 N 4.8578 8.1553 113.8430 52.4024 37.2755 174.4669 27 G 3.9977 8.1692 109.2885 44.0953 0.0000 171.9774 28 P 4.7150 0.0000 0.0000 62.2839 32.6419 176.2640 29 V 4.6538 8.9834 121.7811 61.3112 33.9522 174.5244 30 K 5.1379 9.5474 128.2298 55.3502 34.0223 176.0071 31 V 4.9751 8.8512 124.2045 59.6285 34.3485 174.6497 32 W 5.3029 8.3804 120.9303 54.8858 32.1219 175.2092 33 G 3.8363 7.5377 106.0787 46.1538 0.0000 171.5264 34 S 5.0421 7.7377 113.7163 57.2749 66.8361 173.2943 35 I 5.1190 8.8085 121.3507 59.4481 41.1697 174.6938 36 K 4.8017 9.2380 124.7904 55.6247 36.3334 176.9008 37 G 3.7690 8.9271 106.5480 45.6120 0.0000 173.3852 38 L 4.4509 7.7969 119.9282 53.2103 42.9671 176.5115 39 T 4.3278 8.1580 111.7212 60.8508 69.7087 174.1498 40 E 4.1151 8.6524 124.4745 57.3874 30.3539 175.4288 41 G 3.7281 8.5036 110.8302 43.8127 0.0000 172.0387 42 L 4.7488 8.1654 119.4833 54.7157 42.6856 176.6468 43 H 5.0086 9.2138 120.0074 53.5997 32.9775 173.2330 44 G 4.1016 9.1532 111.1383 46.9818 0.0000 172.2766 45 F 5.5401 9.4314 125.1528 56.5882 42.1558 173.5966 46 R 5.1340 9.0579 124.4183 54.5280 35.3095 174.2630 47 V 4.5895 8.5531 121.0757 61.9430 33.2873 174.6218 48 H 5.2150 9.5725 126.0218 54.0383 30.9343 175.3206 49 E 3.7879 8.7678 122.6682 58.7480 30.1117 177.4459 50 F 5.0808 8.2661 118.0265 55.6832 41.4709 176.0516 51 G 4.6699 8.5485 113.9644 44.5589 0.0000 173.6480 52 D 4.7992 8.0214 118.3915 52.5086 42.5692 174.6197 53 N 5.2620 8.8172 124.0143 52.5227 39.5385 175.1408 54 T 3.9101 8.7284 109.9169 63.4774 69.5929 174.2525 55 A 4.6765 8.5038 124.3359 50.9432 19.5754 175.5396 56 G 3.9900 7.7017 112.6800 46.0071 0.0000 174.1496 57 C 4.5601 8.5545 115.0124 59.1156 37.3037 175.6561 58 T 3.8510 7.8196 117.9839 66.7078 67.9478 176.2193 59 S 4.3350 7.5700 114.2621 60.5510 63.0283 175.9665 60 A 4.8107 7.4095 124.8318 54.2692 18.2222 178.5317 61 G 3.7770 8.3104 105.5094 44.4400 0.0000 171.0830 62 P 4.7516 0.0000 0.0000 62.2840 32.9889 175.5566 63 H 4.4702 8.5739 116.3020 55.1133 29.8016 175.1002 64 F 4.2200 9.3762 124.2477 58.1910 40.0743 175.1811 65 N 4.1850 7.3637 122.9824 51.7999 39.8316 171.2544 66 P 4.0618 0.0000 0.0000 62.5864 32.3475 176.7756 67 L 4.6000 8.0408 119.0999 53.4464 43.3572 175.6895 68 S 4.6938 8.2706 121.9476 57.9477 65.7857 177.8557 69 R 4.4755 8.6661 113.1342 55.1916 32.1846 173.0391 *78 E 4.2802 8.6741 123.8696 54.4671 30.6111 176.6191 79 R 4.5768 8.6222 107.3283 55.6900 32.9606 174.3967 80 H 4.9579 8.4628 115.7860 53.7882 30.9124 175.6863 81 V 3.4694 8.5597 124.5658 66.2441 31.2224 177.5889 82 G 3.7072 8.4589 107.3730 47.0560 0.0000 172.7172 83 D 4.7566 8.1975 121.0608 54.3734 40.2229 175.8808 84 L 4.6419 8.5927 123.6947 54.2835 43.2399 177.6026 85 G 4.1438 8.3087 107.0277 45.0089 0.0000 174.0443 86 N 5.7181 8.5171 121.2864 51.4059 42.7688 173.0357 87 V 4.4455 8.7774 112.8168 59.8783 35.8562 174.9582 88 T 5.0327 8.3063 118.7646 61.8210 71.5117 172.7817 89 A 4.9610 9.1408 129.1627 50.4374 21.2513 177.3867 90 D 4.6635 8.8627 123.1346 52.2995 41.0904 177.0041 91 K 4.0345 8.5312 117.1512 59.9127 32.5135 177.1541 92 D 4.5356 8.9407 118.3508 54.0415 41.0141 177.1538 93 G 4.3679 8.4253 108.1991 44.7598 0.0000 172.7881 94 V 4.7669 7.6872 119.3254 60.8502 33.9438 174.1461 95 A 5.3222 9.2523 129.5925 49.3715 21.4275 174.4032 96 D 4.8417 8.7046 123.0364 53.0976 42.5679 175.5131 97 V 4.2874 8.7566 126.6385 61.3981 33.9500 174.8753 98 S 4.7780 8.3151 121.5683 58.0447 64.2868 173.1805 99 I 4.8987 9.1799 128.0547 59.6514 42.1108 174.2064 100 E 5.1664 8.6838 123.5575 54.8651 32.4092 173.9321 101 D 5.0142 9.3813 126.2028 52.3073 44.9947 175.6421 102 S 4.8206 8.8186 117.8118 58.2169 63.7114 174.6210 103 V 4.0717 9.6193 122.5373 65.0909 31.9662 176.7082 104 I 4.0866 7.7644 110.8823 61.0678 38.3950 174.4364 105 S 4.6332 8.4425 113.9771 57.4928 65.4128 174.1724 106 L 4.4164 8.9970 123.4104 54.2461 41.4887 176.2913 107 S 4.4039 7.8595 112.5247 58.4898 66.2666 175.6442 108 G 3.8556 8.4390 108.5228 44.9592 0.0000 173.6858 109 D 4.4521 8.7329 117.3211 57.1740 41.2553 176.9250 110 H 5.1240 8.0859 114.6772 55.4020 29.0678 173.6861 111 C 4.3756 7.8484 121.2315 60.0764 31.7435 173.4954 112 I 3.8006 8.1728 119.2035 60.3200 37.8480 175.3897 113 I 3.9018 7.1612 123.0378 62.7281 37.6897 176.2788 114 G 3.8374 9.3196 114.0868 44.9710 0.0000 172.8857 115 R 4.9849 7.4017 118.5819 54.8968 33.5754 174.6875 116 T 5.0224 8.0732 115.1917 62.0260 71.6672 173.5054 117 L 4.9599 8.5194 127.5071 53.5562 44.2464 175.2743 118 V 4.9645 9.3173 126.2204 60.9565 35.3827 174.1678 119 V 5.0490 8.4668 126.4131 60.4679 33.4614 174.7108 120 H 5.0893 9.5148 123.1737 54.4760 29.8955 175.0851 121 E 4.1814 9.4230 122.7961 59.0799 29.9215 177.2277 122 K 4.7492 7.9963 116.9311 54.1147 35.4567 176.0604 123 A 4.4539 8.4694 124.5287 52.2853 18.9357 177.2491 124 D 4.7447 9.7288 121.1797 52.1340 41.2049 175.0027 125 D 4.5895 8.2758 126.3776 52.7295 40.2988 178.1994 126 L 4.0693 8.4387 123.5168 54.9612 41.0543 178.9655 127 G 4.1319 8.9440 108.9641 45.3939 0.0000 174.9821 128 K 4.5899 7.2205 117.6255 56.1779 32.5278 177.5034 129 G 3.6642 8.1230 107.6289 46.4789 0.0000 175.5246 130 G 3.9894 9.4550 108.3723 45.1460 0.0000 173.3113 131 N 4.7398 6.8667 114.9028 53.5417 41.9658 174.3880 *142 S 4.2985 7.6614 110.7492 57.2019 65.7355 173.0782 143 R 4.4316 8.4021 119.8500 55.6664 29.6992 176.6232 144 L 4.2595 8.8021 125.6243 57.5657 42.8181 177.2056 145 A 4.8016 7.7252 117.8184 51.5363 22.7873 173.7327 146 C 5.3958 8.5813 113.5697 56.0305 46.3416 172.6848 147 G 4.7380 8.0419 103.3101 46.2710 0.0000 172.8250 148 V 4.4709 8.3503 121.1745 62.1981 32.9665 175.7361 149 I 4.2064 8.8299 128.8805 60.7069 37.8335 175.3422 150 G 4.3766 8.7223 114.9647 43.9689 0.0000 171.9966 151 I 4.2591 8.2678 121.5242 61.2473 37.4780 175.6794 152 A 4.7732 8.3837 128.5419 49.7308 21.9373 176.3665 153 Q 4.0692 8.4693 118.7194 56.4578 29.2211 175.9070 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 A 8.16 4.64 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 2 T 7.50 4.21 4.26 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 1.21 0.00 0.00 3 K 8.82 5.28 0.00 1.70 1.72 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.53 1.49 7.81 4 A 8.89 5.23 1.09 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 5 V 8.96 5.02 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 0.62 0.00 0.00 0.97 0.00 0.00 6 C 9.01 4.87 0.00 3.14 2.89 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 7 V 8.48 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.87 4.91 0.00 1.69 1.58 0.99 0.51 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 9 K 9.14 4.79 0.00 1.64 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.89 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 0.00 0.00 0.00 11 D 8.76 4.48 0.00 2.68 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 12 G 7.64 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 13 P 0.00 4.47 0.00 2.18 2.17 0.00 3.77 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 2.09 1.94 0.00 14 V 7.57 4.16 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 0.79 0.00 0.00 0.97 0.00 0.00 15 Q 8.00 4.93 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.38 0.00 0.00 0.00 0.00 0.00 2.43 2.12 0.00 16 G 7.85 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 17 I 7.99 5.19 1.82 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 1.21 1.01 0.83 0.00 0.00 18 I 8.76 4.68 1.81 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 1.26 1.49 0.44 0.00 0.00 19 N 8.37 5.19 0.00 1.44 1.52 0.00 0.00 6.74 7.99 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 20 F 9.02 5.39 0.00 2.87 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 21 E 9.40 5.19 0.00 2.50 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 0.00 2.33 2.42 0.00 22 Q 9.22 4.93 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 23 K 8.90 4.13 0.00 1.81 1.89 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.51 7.81 24 E 7.77 4.72 0.00 1.98 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 2.30 2.28 0.00 25 S 8.74 4.03 0.00 3.83 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 26 N 8.16 4.86 0.00 2.85 2.85 0.00 0.00 5.92 7.00 0.00 0.00 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 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.72 0.00 2.00 2.03 0.00 3.67 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 2.05 2.11 0.00 29 V 8.98 4.65 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 1.27 0.00 0.00 1.04 0.00 0.00 30 K 9.55 5.14 0.00 1.97 1.93 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.45 7.81 31 V 8.85 4.98 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 1.05 0.00 0.00 0.90 0.00 0.00 32 W 8.38 5.30 0.00 3.50 3.26 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 33 G 7.54 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 34 S 7.74 5.04 0.00 3.97 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 35 I 8.81 5.12 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.89 0.89 0.00 0.00 36 K 9.24 4.80 0.00 1.73 1.87 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.34 7.81 37 G 8.93 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 38 L 7.80 4.45 0.00 1.97 1.56 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.16 4.33 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 40 E 8.65 4.12 0.00 2.03 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 2.30 2.50 0.00 41 G 8.50 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 0.00 0.00 0.00 42 L 8.17 4.75 0.00 1.48 1.58 0.90 0.93 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 43 H 9.21 5.01 0.00 3.03 3.30 0.00 5.63 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 44 G 9.15 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 45 F 9.43 5.54 0.00 3.01 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 46 R 9.06 5.13 0.00 1.84 1.85 0.00 3.14 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 47 V 8.55 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 0.81 0.00 0.00 0.85 0.00 0.00 48 H 9.57 5.22 0.00 3.03 3.45 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.77 3.79 0.00 1.70 1.12 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 1.47 2.05 0.00 50 F 8.27 5.08 0.00 3.28 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 51 G 8.55 4.67 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 0.00 0.00 0.00 52 D 8.02 4.80 0.00 2.65 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 53 N 8.82 5.26 0.00 2.68 2.72 0.00 0.00 7.36 7.70 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 54 T 8.73 3.91 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 1.26 0.00 0.00 55 A 8.50 4.68 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 56 G 7.70 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 0.00 0.00 0.00 57 C 8.55 4.56 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 58 T 7.82 3.85 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 1.23 0.00 0.00 59 S 7.57 4.34 0.00 4.24 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 60 A 7.41 4.81 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.75 0.00 2.10 2.04 0.00 3.52 0.00 0.00 3.97 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 63 H 8.57 4.47 0.00 3.02 3.09 0.00 5.55 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 64 F 9.38 4.22 0.00 2.97 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 65 N 7.36 4.19 0.00 2.21 2.34 0.00 0.00 7.19 7.69 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 66 P 0.00 4.06 0.00 2.07 1.71 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 67 L 8.04 4.60 0.00 1.57 1.62 0.84 0.76 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 68 S 8.27 4.69 0.00 3.91 3.14 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 69 R 8.67 4.48 0.00 1.71 1.81 0.00 3.31 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 *78 E 8.67 4.28 0.00 1.97 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 2.19 2.38 0.00 79 R 8.62 4.58 0.00 1.92 1.84 0.00 3.07 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 80 H 8.46 4.96 0.00 3.36 2.96 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.56 3.47 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 0.80 0.00 0.00 0.48 0.00 0.00 82 G 8.46 3.71 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 0.00 0.00 0.00 83 D 8.20 4.76 0.00 2.79 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 84 L 8.59 4.64 0.00 1.98 1.90 0.82 0.99 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 85 G 8.31 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 86 N 8.52 5.72 0.00 2.58 2.75 0.00 0.00 6.54 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 87 V 8.78 4.45 1.81 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 -0.32 0.00 0.00 0.86 0.00 0.00 88 T 8.31 5.03 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 1.25 0.00 0.00 89 A 9.14 4.96 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 90 D 8.86 4.66 0.00 2.89 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 91 K 8.53 4.03 0.00 1.88 2.12 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.94 4.54 0.00 2.79 2.73 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 93 G 8.43 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 0.00 0.00 0.00 0.00 94 V 7.69 4.77 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 1.04 0.00 0.00 0.97 0.00 0.00 95 A 9.25 5.32 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 96 D 8.70 4.84 0.00 2.66 2.57 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 97 V 8.76 4.29 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 0.70 0.00 0.00 0.61 0.00 0.00 98 S 8.32 4.78 0.00 3.92 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 99 I 9.18 4.90 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 1.01 0.00 0.00 100 E 8.68 5.17 0.00 1.95 1.81 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 2.22 2.34 0.00 101 D 9.38 5.01 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.82 4.82 0.00 4.01 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 0.00 103 V 9.62 4.07 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 0.82 0.00 0.00 0.96 0.00 0.00 104 I 7.76 4.09 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 1.01 0.00 0.00 105 S 8.44 4.63 0.00 3.90 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 0.00 106 L 9.00 4.42 0.00 1.77 1.63 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.86 4.40 0.00 3.92 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 0.00 108 G 8.44 3.86 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 0.00 0.00 0.00 109 D 8.73 4.45 0.00 2.65 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 0.00 110 H 8.09 5.12 0.00 3.24 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.85 4.38 0.00 2.91 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 0.00 112 I 8.17 3.80 1.53 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.11 0.80 0.00 0.00 113 I 7.16 3.90 1.75 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 1.17 0.33 0.82 0.00 0.00 114 G 9.32 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 0.00 115 R 7.40 4.98 0.00 1.68 1.83 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 116 T 8.07 5.02 4.29 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 1.25 0.00 0.00 117 L 8.52 4.96 0.00 1.78 1.53 0.37 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.32 4.96 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 0.74 0.00 0.00 0.73 0.00 0.00 119 V 8.47 5.05 2.28 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 0.78 0.00 0.00 1.05 0.00 0.00 120 H 9.51 5.09 0.00 3.10 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.42 4.18 0.00 1.99 2.18 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 2.37 2.35 0.00 122 K 8.00 4.75 0.00 1.76 1.69 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 123 A 8.47 4.45 1.22 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 0.00 0.00 124 D 9.73 4.74 0.00 2.50 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 0.00 125 D 8.28 4.59 0.00 2.94 2.78 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 0.00 0.00 0.00 0.00 126 L 8.44 4.07 0.00 1.78 1.72 1.00 1.11 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 0.00 127 G 8.94 4.13 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 0.00 128 K 7.22 4.59 0.00 1.79 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.50 7.81 129 G 8.12 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 0.00 0.00 0.00 130 G 9.45 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 0.00 0.00 0.00 131 N 6.87 4.74 0.00 2.76 2.71 0.00 0.00 6.09 7.64 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 *142 S 7.66 4.30 0.00 3.96 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 0.00 143 R 8.40 4.43 0.00 1.68 1.85 0.00 3.18 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 144 L 8.80 4.26 0.00 1.73 1.69 0.87 0.68 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 0.00 145 A 7.73 4.80 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 0.00 146 C 8.58 5.40 0.00 2.95 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 0.00 147 G 8.04 4.74 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 0.00 0.00 0.00 148 V 8.35 4.47 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 0.83 0.00 0.00 0.96 0.00 0.00 149 I 8.83 4.21 1.78 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.42 0.00 0.00 150 G 8.72 4.38 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 0.00 151 I 8.27 4.26 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.90 0.00 0.00 152 A 8.38 4.77 1.25 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 0.00 153 Q 8.47 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.