NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.6395 8.3349 115.5542 58.3988 63.8027 172.3560 16 Q 4.5068 9.6925 127.7371 53.5637 32.5869 172.5273 17 N 5.4114 8.5988 119.3830 52.1953 42.3918 173.0533 18 F 5.0482 9.0805 123.4858 55.1922 43.6727 174.3712 19 L 4.4889 8.8530 120.9995 55.3206 42.4535 176.4218 20 F 4.8751 9.4356 124.4362 56.5690 42.7364 173.8593 21 G 4.6541 7.5201 111.3884 45.1135 0.0000 170.5833 22 C 4.5285 7.7821 112.2404 57.1123 32.6340 172.2183 23 E 4.5935 8.5634 120.4563 54.2245 31.8324 174.6763 24 L 4.9365 8.8085 127.3395 52.9854 44.0754 175.7708 25 K 4.6685 9.0198 122.5611 54.9780 36.3544 176.9891 26 A 3.9507 8.9044 122.5571 54.9184 18.0810 178.2476 27 D 4.8960 7.9096 111.5244 52.6402 39.8186 176.8016 28 K 4.3931 8.1251 122.7476 56.1990 33.1214 175.7811 29 K 4.4202 8.4066 123.8090 56.6850 33.4793 175.8343 30 E 5.3368 8.1122 118.6496 54.4993 33.1181 174.6218 31 Y 4.5847 9.1417 123.5697 55.8841 41.9627 173.9238 32 S 4.7208 7.9582 121.6466 56.7824 63.9389 172.6947 33 F 4.8969 9.1477 131.2274 56.8040 40.5288 174.2949 34 K 4.5409 7.8724 125.9465 55.1827 35.1116 174.9756 35 V 4.2033 7.8833 123.4747 60.8410 34.5685 174.6627 36 E 4.5368 8.3460 124.3691 54.8119 31.4270 174.8928 37 D 4.4780 8.8480 123.9388 54.6235 44.3549 177.1035 38 D 3.8136 8.5638 123.5150 55.1643 40.6290 174.4776 *40 N 4.8604 8.3061 113.0608 53.0986 40.3021 176.7694 41 E 4.4370 9.2008 124.4593 55.3580 30.9207 175.5290 42 H 5.5360 8.9752 121.0167 54.6410 31.4604 174.3193 43 Q 4.7476 8.8740 119.3854 54.4385 33.6949 173.5571 44 L 4.2191 8.3249 125.8356 54.1828 43.5872 175.2303 45 S 5.0351 8.7614 122.2347 56.3904 63.8552 172.5550 46 L 4.1512 8.8881 128.8383 55.0940 42.3166 177.0440 47 R 4.4664 9.4373 123.0369 57.4869 31.7960 176.0096 48 T 5.1540 7.9524 107.9904 59.8133 72.7968 172.0703 49 V 5.0745 8.6863 123.2412 61.3167 34.2905 174.5534 50 S 5.1836 9.3062 121.4310 56.8064 66.9976 172.6642 51 L 4.8378 8.5012 121.8951 53.5821 42.4683 177.3026 52 G 3.9609 9.1318 111.2978 46.2103 0.0000 174.1660 53 A 4.1109 8.9035 125.2098 54.8528 18.3227 178.8249 54 S 4.5258 7.9479 106.7164 58.0624 63.8671 174.3674 55 A 4.6647 7.6740 124.3350 51.7942 18.6735 177.4527 56 K 4.2806 8.0099 122.6517 56.0424 33.2884 177.3654 57 D 4.8960 8.3259 124.7061 53.3569 38.6743 173.7532 58 E 4.7537 7.7238 118.9062 54.4241 33.7862 174.9053 59 L 4.5431 8.4297 121.7197 55.0524 43.0190 175.4160 60 H 5.1923 9.7763 124.0072 53.9863 31.9142 173.1601 61 V 4.8728 8.5116 122.7194 61.1017 34.1832 174.1122 62 V 4.9648 8.7463 128.3208 61.1717 33.5412 174.3634 63 E 5.2784 9.2232 125.1996 54.4855 33.2407 174.3765 64 A 5.1981 8.8931 121.4828 50.0485 22.5827 174.7300 65 E 4.9913 9.3034 122.4019 54.7046 32.8906 175.3479 66 G 4.2596 8.6994 112.4723 46.1894 0.0000 170.9588 67 I 5.0067 8.2932 121.0118 59.6883 38.6912 176.6064 68 N 4.7624 9.1533 125.7185 52.1465 38.8359 174.9498 69 Y 4.2695 8.6333 118.2498 59.9987 38.9758 175.8011 70 E 4.2422 8.4518 116.4444 55.9201 29.9648 177.0887 71 G 3.9115 8.0714 108.7554 45.8003 0.0000 174.4204 72 K 4.2375 7.9232 121.9097 56.2493 33.6569 175.5066 73 T 4.8540 8.4332 121.8109 61.4218 68.1998 173.6042 74 I 4.7882 8.7833 121.6368 59.0239 41.6076 174.1340 75 K 5.2411 8.6563 122.2614 54.5836 34.3168 175.5969 76 I 4.6432 8.7539 118.5158 58.6389 40.5236 174.6223 77 A 4.2928 8.7250 128.3338 52.3009 18.1302 176.9367 78 L 4.4435 9.0500 123.8457 57.2546 42.8941 177.5486 79 A 4.6104 7.6525 117.1489 50.9833 22.6161 175.3483 80 S 5.1795 8.7734 117.1470 56.8131 65.1123 173.6917 81 L 5.1024 9.1817 124.5787 52.9454 45.9604 175.6727 82 K 4.8928 8.7170 122.2112 54.5978 35.3652 174.9709 83 P 4.2299 0.0000 0.0000 65.7808 31.3467 177.4492 84 S 4.4455 7.9985 109.2224 59.0353 63.7102 174.2585 85 V 4.1828 7.5408 118.4469 64.2717 33.3764 176.0368 86 Q 4.5737 8.1304 123.0914 54.8919 30.3219 171.9887 87 P 4.6138 0.0000 0.0000 64.0793 32.9878 176.1435 88 T 5.2378 7.7781 115.9866 61.7391 72.6230 173.2707 89 V 4.3706 8.9421 125.0266 61.1158 34.4814 174.1085 90 S 4.9449 8.7543 123.1187 57.6877 62.4310 173.5766 91 L 4.2072 9.2787 127.9165 54.7286 42.2436 178.2722 92 G 3.7267 8.3178 106.4057 45.5151 0.0000 173.2333 93 G 3.6298 8.0887 104.4499 46.3515 0.0000 175.0591 94 F 4.4569 8.4454 121.1389 57.9970 40.4119 174.8393 95 E 4.9674 8.8518 126.2940 55.7145 31.0411 176.2692 96 I 4.6231 8.7499 124.3946 59.5996 40.7778 174.9452 97 T 4.5514 8.6933 124.7556 62.5880 68.8674 173.1064 98 P 4.6397 0.0000 0.0000 61.9826 32.3123 174.1680 99 P 4.9347 0.0000 0.0000 62.6742 32.1964 176.1979 100 V 4.7594 8.8822 122.2480 60.3964 35.2737 173.6328 101 I 4.9547 8.5722 124.0272 59.8471 39.6796 174.3802 102 L 5.1043 8.9553 126.5758 53.1176 44.0299 175.4945 103 R 5.0073 8.9431 123.7136 54.3491 33.6427 174.1170 104 L 4.3771 9.0410 129.1939 54.7213 41.0620 176.1172 105 K 4.3394 8.9139 129.2473 58.9467 32.9286 176.8906 106 S 4.5710 7.9759 112.3107 57.6984 66.4862 174.9188 107 G 4.0473 8.8175 106.0017 45.3300 0.0000 173.9461 108 S 4.0852 8.3475 114.1001 59.0192 63.7818 176.1901 109 G 3.9328 8.1909 109.3133 44.4386 0.0000 170.2063 110 P 4.7236 0.0000 0.0000 62.5943 32.8118 175.7978 111 V 4.8724 8.9693 123.1148 61.3760 34.5493 173.9293 112 Y 5.0641 9.3686 124.7690 56.2692 41.3144 174.7231 113 V 5.0682 8.4871 121.5006 61.1915 34.8274 174.5579 114 S 5.1530 9.2387 121.7930 56.7264 66.7621 174.1779 115 G 3.8579 7.9041 106.5642 46.1384 0.0000 171.4288 116 Q 5.1567 7.8772 117.6591 54.3639 32.2647 174.5322 117 H 5.1948 9.6761 123.4528 54.7677 31.9062 173.0265 118 L 5.4916 9.1911 127.0453 53.0659 44.3596 176.1786 119 V 4.9812 8.8821 122.0119 60.0930 34.6207 174.2283 120 A 4.9877 8.7566 126.1827 49.6672 22.7331 175.1257 121 L 4.3411 8.7689 124.4172 55.2514 42.6124 177.9448 122 E 4.1792 8.7017 117.7901 56.2563 29.7827 174.9919 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 15 S 8.33 4.64 0.00 3.89 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 16 Q 9.69 4.51 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 17 N 8.60 5.41 0.00 2.56 2.46 0.00 0.00 6.75 7.02 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 18 F 9.08 5.05 0.00 3.12 2.92 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 0.00 0.00 0.00 19 L 8.85 4.49 0.00 1.62 1.67 0.94 0.77 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 20 F 9.44 4.88 0.00 3.15 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 21 G 7.52 4.65 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 0.00 0.00 0.00 22 C 7.78 4.53 0.00 2.56 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 0.00 0.00 0.00 23 E 8.56 4.59 0.00 1.74 1.67 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 1.71 1.47 0.00 24 L 8.81 4.94 0.00 1.50 1.53 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.02 4.67 0.00 1.69 1.76 0.00 1.31 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.24 1.34 7.81 26 A 8.90 3.95 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 27 D 7.91 4.90 0.00 2.76 2.72 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 28 K 8.13 4.39 0.00 1.75 1.67 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.42 7.81 29 K 8.41 4.42 0.00 1.75 1.82 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.67 7.81 30 E 8.11 5.34 0.00 1.80 1.82 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 2.20 2.26 0.00 31 Y 9.14 4.58 0.00 3.08 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 32 S 7.96 4.72 0.00 3.78 3.51 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 33 F 9.15 4.90 0.00 3.45 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 34 K 7.87 4.54 0.00 1.64 1.45 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.24 7.81 35 V 7.88 4.20 1.70 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 0.61 0.00 0.00 0.43 0.00 0.00 36 E 8.35 4.54 0.00 1.88 1.78 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 2.12 2.16 0.00 37 D 8.85 4.48 0.00 2.52 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 38 D 8.56 3.81 0.00 2.82 2.34 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 *40 N 8.31 4.86 0.00 2.53 2.69 0.00 0.00 6.63 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 41 E 9.20 4.44 0.00 1.90 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 0.00 2.35 2.46 0.00 42 H 8.98 5.54 0.00 3.09 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.87 4.75 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 L 8.32 4.22 0.00 0.77 0.97 -0.66 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.76 5.04 0.00 3.88 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 46 L 8.89 4.15 0.00 1.57 1.53 0.61 0.48 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 47 R 9.44 4.47 0.00 1.73 1.95 0.00 3.24 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 48 T 7.95 5.15 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 1.23 0.00 0.00 49 V 8.69 5.07 2.11 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 1.08 0.00 0.00 0.95 0.00 0.00 50 S 9.31 5.18 0.00 3.86 3.90 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 51 L 8.50 4.84 0.00 1.56 1.61 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.13 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 53 A 8.90 4.11 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 54 S 7.95 4.53 0.00 4.01 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 55 A 7.67 4.66 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 56 K 8.01 4.28 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.39 7.81 57 D 8.33 4.90 0.00 2.73 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 58 E 7.72 4.75 0.00 1.93 1.88 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 2.35 2.16 0.00 59 L 8.43 4.54 0.00 1.69 1.61 0.93 0.98 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 60 H 9.78 5.19 0.00 3.06 3.18 0.00 5.63 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 61 V 8.51 4.87 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 0.96 0.00 0.00 0.95 0.00 0.00 62 V 8.75 4.96 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 0.99 0.00 0.00 0.95 0.00 0.00 63 E 9.22 5.28 0.00 2.16 2.03 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 2.32 2.23 0.00 64 A 8.89 5.20 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 65 E 9.30 4.99 0.00 1.98 1.77 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 2.19 2.36 0.00 66 G 8.70 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 0.00 0.00 0.00 0.00 67 I 8.29 5.01 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.93 0.00 0.00 68 N 9.15 4.76 0.00 2.97 3.04 0.00 0.00 6.21 7.59 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 69 Y 8.63 4.27 0.00 2.88 3.06 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 70 E 8.45 4.24 0.00 2.05 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 0.00 2.43 2.30 0.00 71 G 8.07 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 K 7.92 4.24 0.00 1.93 1.83 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.44 7.81 73 T 8.43 4.85 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 1.22 0.00 0.00 74 I 8.78 4.79 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.94 0.00 0.00 75 K 8.66 5.24 0.00 1.64 1.93 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 76 I 8.75 4.64 1.94 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 1.35 1.17 0.96 0.00 0.00 77 A 8.73 4.29 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 78 L 9.05 4.44 0.00 1.63 1.75 0.78 0.42 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 79 A 7.65 4.61 1.23 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 0.00 0.00 80 S 8.77 5.18 0.00 3.75 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 81 L 9.18 5.10 0.00 1.56 1.61 1.00 0.59 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 82 K 8.72 4.89 0.00 1.85 1.61 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.58 7.81 83 P 0.00 4.23 0.00 2.09 2.13 0.00 3.76 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 2.16 2.09 0.00 84 S 8.00 4.45 0.00 3.99 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 0.00 85 V 7.54 4.18 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.13 4.57 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 87 P 0.00 4.61 0.00 2.16 2.28 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 88 T 7.78 5.24 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 1.22 0.00 0.00 89 V 8.94 4.37 2.11 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 1.05 0.00 0.00 0.95 0.00 0.00 90 S 8.75 4.94 0.00 3.93 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 91 L 9.28 4.21 0.00 1.77 1.89 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.32 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 93 G 8.09 3.63 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 0.00 0.00 0.00 94 F 8.45 4.46 0.00 3.11 2.75 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 95 E 8.85 4.97 0.00 1.94 1.88 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 2.30 2.53 0.00 96 I 8.75 4.62 1.70 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.11 0.88 0.00 0.00 97 T 8.69 4.55 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 1.27 0.00 0.00 98 P 0.00 4.64 0.00 2.12 2.22 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 99 P 0.00 4.93 0.00 1.97 2.00 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 100 V 8.88 4.76 2.12 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 0.94 0.00 0.00 0.95 0.00 0.00 101 I 8.57 4.95 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 1.21 0.92 0.93 0.00 0.00 102 L 8.96 5.10 0.00 1.73 1.62 1.00 0.75 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 0.00 103 R 8.94 5.01 0.00 1.83 1.72 0.00 3.26 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 104 L 9.04 4.38 0.00 1.65 1.61 0.99 0.73 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 0.00 105 K 8.91 4.34 0.00 1.83 1.91 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.23 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.67 7.81 106 S 7.98 4.57 0.00 3.86 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 0.00 107 G 8.82 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 0.00 108 S 8.35 4.09 0.00 4.04 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 0.00 109 G 8.19 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 0.00 0.00 0.00 110 P 0.00 4.72 0.00 2.00 1.98 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 111 V 8.97 4.87 2.03 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 0.85 0.00 0.00 0.93 0.00 0.00 112 Y 9.37 5.06 0.00 2.93 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 0.00 113 V 8.49 5.07 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 1.16 0.00 0.00 0.96 0.00 0.00 114 S 9.24 5.15 0.00 3.89 3.92 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 0.00 0.00 0.00 115 G 7.90 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 0.00 116 Q 7.88 5.16 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 117 H 9.68 5.19 0.00 3.38 3.40 0.00 5.55 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.19 5.49 0.00 1.77 1.60 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.88 4.98 2.19 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 1.14 0.00 0.00 0.87 0.00 0.00 120 A 8.76 4.99 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 0.00 121 L 8.77 4.34 0.00 1.56 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.70 4.18 0.00 1.99 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 0.00 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.