NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3116 8.1776 115.3720 56.6484 65.7226 177.2089 2 F 3.6363 7.1240 118.1130 58.0147 39.8445 175.6751 3 A 4.5567 7.3670 121.2278 50.3282 19.9715 177.7466 4 G 3.8576 8.4639 106.5897 47.1501 0.0000 173.7899 *6 L 4.1615 7.9363 115.7074 54.0564 43.1919 176.5517 7 K 4.5756 7.9013 119.3584 56.1600 34.7548 178.2668 8 D 4.3017 8.1609 122.6821 56.5873 41.1370 179.2337 9 A 3.9621 7.8934 121.0817 55.4349 18.7343 179.3856 10 D 4.3167 8.1943 117.4494 57.2335 40.8480 179.2020 11 V 3.5838 7.6398 118.4020 65.7021 31.6832 177.7607 12 A 4.1181 8.5636 120.7822 54.6553 18.3163 179.1048 13 A 3.8814 8.0800 119.4196 55.3935 18.2202 179.3419 14 A 3.9154 7.6104 117.3419 55.6036 18.9753 179.5576 15 L 4.2323 7.9558 116.3043 57.9120 41.5278 179.8062 16 A 4.0327 7.9296 120.1682 55.1182 18.1364 179.5581 17 A 4.1241 7.8103 117.9135 54.0903 18.5230 177.6075 18 C 5.4874 8.0486 111.5298 57.0987 30.0722 175.3848 19 S 4.3262 7.9707 115.9912 60.8628 63.5018 174.3638 20 A 4.1784 7.8035 124.5143 51.2985 18.9484 176.4574 21 A 4.1820 8.3774 124.2943 53.5931 18.8975 177.5392 22 D 4.6348 9.0021 120.9708 55.1740 38.4637 174.6578 23 S 4.5848 8.1327 113.0770 57.8744 63.6763 173.7820 24 F 4.5527 9.0025 125.3881 58.0927 39.7739 175.1549 25 K 3.9440 6.9191 126.7984 54.2613 35.1203 176.0733 26 H 3.0790 8.0399 121.0399 58.7212 28.0387 177.2436 27 K 4.2256 7.4381 122.2621 58.3462 32.0945 178.6230 28 E 3.9009 7.7524 118.8514 59.2535 29.3963 178.7067 29 F 4.1095 7.8365 120.5265 60.8423 39.4250 177.4870 30 F 4.5696 8.8209 117.9437 60.2417 38.1612 177.3673 31 A 3.9737 8.4927 120.8965 55.4576 18.0237 179.1950 32 K 3.7174 7.6686 115.3622 60.1404 32.3043 179.1486 33 V 3.8356 7.6265 118.0224 61.9911 31.7489 176.5118 34 G 4.0451 7.6238 106.7957 45.8443 0.0000 175.7457 35 L 4.0605 8.1476 120.9271 57.2707 42.4260 177.7020 36 A 4.3001 8.0348 119.8606 53.2274 18.4365 177.4597 37 S 4.7249 7.6408 110.4679 57.7187 63.4837 174.4890 38 K 4.4335 7.8168 120.1388 55.9602 33.6295 177.0717 39 S 4.5095 8.1322 115.9678 57.8385 65.4012 174.7508 40 L 4.0032 8.3337 122.1507 57.8139 41.5300 177.9632 41 D 4.4590 8.2205 118.1293 57.8796 41.0408 178.3457 42 D 4.5990 7.8948 119.0954 57.2673 40.3137 179.0126 43 V 3.8401 8.2684 119.0359 65.8193 31.2257 178.3079 44 K 4.2084 8.3180 118.0989 59.3064 32.0589 179.1046 45 K 4.3071 8.4726 118.8307 59.2811 31.9505 179.0331 46 A 4.3726 8.4143 120.7843 55.3021 18.3928 179.2786 47 F 3.2185 7.7191 118.2719 61.3648 39.4113 176.2740 48 Y 3.9973 7.3900 113.4541 58.8331 37.8607 176.8595 49 V 3.7803 7.2064 119.4167 64.7713 32.0963 177.4228 50 I 3.9631 7.0323 119.2032 62.1501 38.6094 176.9255 51 D 4.6075 7.1466 120.8417 53.3269 37.4496 176.3496 52 Q 3.8886 7.9796 121.6420 58.0920 29.4745 177.2125 53 D 4.6513 8.8888 115.5940 52.4674 39.4787 176.3554 54 K 3.9910 7.6091 116.7614 58.0347 29.8218 176.6351 55 S 4.3487 8.1562 111.7405 58.9280 63.4060 175.0585 56 G 3.9737 9.3533 110.3575 45.0416 0.0000 173.4318 57 F 5.2598 7.2902 116.2928 55.7668 43.3288 174.8387 58 I 4.6207 8.4897 123.6431 59.8738 37.9000 175.8178 59 E 4.4842 8.7152 127.3135 55.3291 30.9722 177.6397 60 E 4.0328 8.8877 120.0314 58.3354 29.3589 177.1550 61 D 4.6005 7.8079 116.7232 54.7978 40.4869 177.6365 62 E 4.1012 7.9625 119.3569 58.3472 29.6695 178.2235 63 L 3.9646 7.6597 120.7651 57.2344 42.1641 178.0077 64 K 4.3068 7.8116 117.0985 57.6606 32.7885 177.7670 65 L 4.7400 7.2885 119.8046 54.6314 41.9401 177.6869 66 F 4.0345 8.1850 124.3075 61.9180 38.9428 177.4006 67 L 4.0427 7.7981 117.4961 57.3707 40.6726 178.6479 68 Q 4.4923 8.3639 117.4117 57.7182 28.8790 177.7907 69 N 4.3370 7.8341 117.4551 55.1809 38.1878 176.7711 70 F 4.4999 7.2533 115.0633 57.6813 40.4019 176.3122 71 S 4.6735 8.3900 113.2682 55.5940 65.3091 172.2324 72 P 4.2429 0.0000 0.0000 66.0951 30.7554 177.6780 73 S 4.2066 8.0250 110.4311 58.9343 63.1688 173.8626 74 A 4.2517 7.9418 125.1871 51.8761 18.7666 177.1795 75 R 4.1748 8.1991 115.7002 55.2951 30.5357 176.4524 76 A 4.3069 8.3757 121.5479 52.5493 19.1137 177.1211 77 L 4.4648 8.3318 119.8829 54.4108 42.7138 177.5347 78 T 4.1822 9.2456 113.5959 61.4792 69.6735 175.3129 79 D 4.4099 8.8017 121.3459 57.2243 40.8379 178.8174 80 A 4.0879 7.9666 121.0865 54.8792 18.1640 179.3030 81 E 4.1181 8.0209 116.9495 59.7117 29.2453 179.2449 82 T 4.1168 8.1050 115.2157 65.3689 68.4408 176.2597 83 K 4.2416 7.7293 120.7876 57.9876 32.3909 178.1452 84 A 4.1442 7.9445 120.7721 54.6564 18.5036 179.3082 85 F 4.0073 8.0636 119.1950 61.2578 39.3924 177.0466 86 L 4.1315 7.8667 118.2585 57.4389 41.6871 178.6105 87 A 4.0351 7.6131 120.4749 54.7251 18.3722 178.3599 88 D 4.6506 7.8909 114.9148 55.8376 41.5995 178.0019 89 G 4.0395 8.0636 105.1886 45.4066 0.0000 173.9567 90 D 5.0390 8.0387 122.2742 52.6218 39.5106 176.0237 91 K 4.1544 8.1917 121.5309 58.1136 32.7463 177.7007 92 D 4.6701 8.1177 116.8014 52.4266 39.5176 176.5615 93 G 3.8778 7.7707 106.4855 47.1291 0.0000 174.4170 94 D 4.4907 8.6409 117.4332 52.7790 40.0386 177.1202 95 G 3.9706 9.7222 109.2686 45.3493 0.0000 172.8021 96 M 4.9007 7.8872 115.3479 53.9098 35.0188 174.2139 97 I 5.2688 8.1095 120.4873 59.4142 39.6572 176.1766 98 G 4.3275 8.8352 114.0076 44.8736 0.0000 174.6022 99 V 2.2654 7.7974 117.8070 65.7813 31.2291 177.5492 100 D 4.2975 7.8731 117.9546 57.2790 40.6288 178.4821 101 E 3.9724 8.1435 118.5664 59.4248 29.5840 178.6371 102 F 4.1651 8.2434 120.2668 61.4738 39.3650 176.6655 103 A 3.9332 8.3407 119.9028 55.3608 17.9764 179.0721 104 A 3.8904 7.9054 117.8100 55.9465 18.5007 179.3116 105 M 4.1110 7.8185 114.1009 57.8450 32.3935 177.7614 106 I 3.5188 7.1848 119.0570 62.4633 37.5291 175.5011 107 K 4.2282 8.5103 117.9040 57.0143 29.3135 175.7545 108 A 4.0891 7.5509 124.3604 52.8652 18.8779 175.6693 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 S 8.18 4.31 0.00 4.02 4.02 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 0.00 0.00 0.00 2 F 7.12 3.64 0.00 3.28 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 3 A 7.37 4.56 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 4 G 8.46 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 *6 L 7.94 4.16 0.00 1.62 1.79 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.90 4.58 0.00 1.90 1.90 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.66 7.81 8 D 8.16 4.30 0.00 2.82 2.71 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 9 A 7.89 3.96 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 10 D 8.19 4.32 0.00 2.75 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 11 V 7.64 3.58 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 1.30 0.00 0.00 1.06 0.00 0.00 12 A 8.56 4.12 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 13 A 8.08 3.88 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 14 A 7.61 3.92 1.27 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 0.00 0.00 0.00 15 L 7.96 4.23 0.00 1.85 1.82 1.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.93 4.03 1.39 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 17 A 7.81 4.12 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 18 C 8.05 5.49 0.00 3.28 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 19 S 7.97 4.33 0.00 3.98 4.07 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 20 A 7.80 4.18 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 21 A 8.38 4.18 1.27 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 0.00 0.00 0.00 22 D 9.00 4.63 0.00 2.86 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 23 S 8.13 4.58 0.00 4.00 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 24 F 9.00 4.55 0.00 2.87 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 25 K 6.92 3.94 0.00 1.60 1.57 0.00 1.48 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.26 7.81 26 H 8.04 3.08 0.00 2.46 2.36 0.00 5.46 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 27 K 7.44 4.23 0.00 1.70 1.77 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.55 1.46 7.81 28 E 7.75 3.90 0.00 1.91 1.84 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 2.31 2.24 0.00 29 F 7.84 4.11 0.00 2.87 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 30 F 8.82 4.57 0.00 3.30 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 31 A 8.49 3.97 1.36 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 0.00 0.00 0.00 32 K 7.67 3.72 0.00 1.75 1.58 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.57 7.81 33 V 7.63 3.84 1.59 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 0.59 0.00 0.00 0.41 0.00 0.00 34 G 7.62 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 35 L 8.15 4.06 0.00 2.00 1.87 1.14 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.03 4.30 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 37 S 7.64 4.72 0.00 3.93 3.89 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 38 K 7.82 4.43 0.00 2.04 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.34 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.75 1.69 7.81 39 S 8.13 4.51 0.00 4.07 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 40 L 8.33 4.00 0.00 1.72 1.72 0.95 1.15 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 41 D 8.22 4.46 0.00 2.72 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 42 D 7.89 4.60 0.00 2.72 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 43 V 8.27 3.84 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 1.18 0.00 0.00 1.07 0.00 0.00 44 K 8.32 4.21 0.00 2.10 2.12 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.77 7.81 45 K 8.47 4.31 0.00 2.06 2.03 0.00 1.93 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.80 7.81 46 A 8.41 4.37 1.83 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 0.00 0.00 47 F 7.72 3.22 0.00 2.65 2.71 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 48 Y 7.39 4.00 0.00 3.29 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 49 V 7.21 3.78 1.56 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 0.07 0.00 0.00 0.73 0.00 0.00 50 I 7.03 3.96 1.62 0.00 0.00 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 1.31 1.11 0.92 0.00 0.00 51 D 7.15 4.61 0.00 2.02 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 0.00 0.00 0.00 0.00 52 Q 7.98 3.89 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 53 D 8.89 4.65 0.00 2.69 2.71 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 54 K 7.61 3.99 0.00 1.90 1.94 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.47 7.81 55 S 8.16 4.35 0.00 4.17 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 G 9.35 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 0.00 0.00 0.00 57 F 7.29 5.26 0.00 3.14 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 58 I 8.49 4.62 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.42 0.82 0.00 0.00 59 E 8.72 4.48 0.00 2.03 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 2.39 2.37 0.00 60 E 8.89 4.03 0.00 2.00 1.91 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 2.34 2.32 0.00 61 D 7.81 4.60 0.00 2.83 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 62 E 7.96 4.10 0.00 1.95 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 0.00 2.32 2.30 0.00 63 L 7.66 3.96 0.00 1.71 1.69 -0.15 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.81 4.31 0.00 1.97 1.99 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 65 L 7.29 4.74 0.00 1.65 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.19 4.03 0.00 3.09 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 67 L 7.80 4.04 0.00 1.86 1.69 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.36 4.49 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 69 N 7.83 4.34 0.00 2.50 2.25 0.00 0.00 6.78 8.01 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 70 F 7.25 4.50 0.00 3.34 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 71 S 8.39 4.67 0.00 3.85 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 72 P 0.00 4.24 0.00 2.22 2.19 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 73 S 8.03 4.21 0.00 4.02 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 74 A 7.94 4.25 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 75 R 8.20 4.17 0.00 1.93 1.95 0.00 3.07 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 76 A 8.38 4.31 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 77 L 8.33 4.46 0.00 1.51 1.58 0.80 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.25 4.18 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 1.32 0.00 0.00 79 D 8.80 4.41 0.00 2.72 2.77 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 80 A 7.97 4.09 1.40 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 81 E 8.02 4.12 0.00 2.35 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 0.00 2.49 2.58 0.00 82 T 8.11 4.12 4.41 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 1.17 0.00 0.00 83 K 7.73 4.24 0.00 1.99 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.46 7.81 84 A 7.94 4.14 1.48 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 85 F 8.06 4.01 0.00 3.26 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 86 L 7.87 4.13 0.00 1.87 1.78 0.94 1.23 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 87 A 7.61 4.04 1.39 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 88 D 7.89 4.65 0.00 2.84 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 89 G 8.06 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 90 D 8.04 5.04 0.00 2.66 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 91 K 8.19 4.15 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 92 D 8.12 4.67 0.00 2.72 2.77 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 93 G 7.77 3.88 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 0.00 0.00 0.00 94 D 8.64 4.49 0.00 2.67 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 95 G 9.72 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 0.00 0.00 0.00 96 M 7.89 4.90 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 97 I 8.11 5.27 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.23 1.22 0.00 0.00 98 G 8.84 4.33 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 0.00 99 V 7.80 2.27 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 0.51 0.00 0.00 0.52 0.00 0.00 100 D 7.87 4.30 0.00 2.73 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 0.00 101 E 8.14 3.97 0.00 2.38 2.31 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 2.46 2.43 0.00 102 F 8.24 4.17 0.00 3.19 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 0.00 103 A 8.34 3.93 1.39 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 0.00 104 A 7.91 3.89 1.39 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 0.00 105 M 7.82 4.11 0.00 2.03 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 2.85 2.65 0.00 106 I 7.18 3.52 1.62 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 0.89 -0.36 0.81 0.00 0.00 107 K 8.51 4.23 0.00 1.75 2.21 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.27 7.81 108 A 7.55 4.09 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 * Residues marked with a * may have inaccurate shift predictions.