NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 R 4.3550 8.2549 119.0723 55.1873 32.0013 175.0340 3 L 4.8337 7.5964 115.5933 51.6353 44.0074 175.4151 4 T 4.1528 9.6041 115.4089 60.6593 71.6985 173.5082 5 P 4.2341 0.0000 0.0000 66.5235 31.3310 178.5763 6 H 4.2476 8.1873 114.0267 58.8790 28.6369 177.5947 7 E 3.9729 8.2896 120.3553 59.5092 29.3262 179.2955 8 Q 3.9926 8.4461 118.4653 59.0942 28.7243 178.7422 9 E 3.9613 8.4842 120.3985 59.3733 29.6325 179.1094 10 R 3.9056 8.2202 118.2522 59.0491 30.0517 178.7857 11 L 3.9737 8.1495 120.3031 58.2074 42.0440 179.1000 12 L 4.1032 8.1527 119.0228 57.6258 41.5023 179.2248 13 L 3.9806 8.2992 120.7586 57.9604 41.8732 178.9605 14 S 4.0578 8.3020 113.3553 61.5094 62.2885 175.4916 15 Y 4.0178 8.2938 122.1097 60.6338 38.5261 177.6179 16 A 3.7280 8.3893 121.8496 55.3506 18.2724 179.5379 17 A 3.9202 7.7462 118.6060 55.0494 18.4305 179.5051 18 E 3.7510 7.6449 117.7296 59.2193 29.6431 178.7996 19 L 3.7382 7.5263 120.5050 57.9896 42.0982 178.7625 20 A 3.9136 8.1671 121.1007 55.2703 18.2179 179.7794 21 R 3.9164 8.2346 116.8859 59.2757 29.9869 179.3145 22 R 3.8465 8.0513 118.4972 59.3807 30.0983 178.7578 23 R 3.8721 8.1085 117.9897 59.2859 30.0314 178.8800 24 R 4.2911 8.6516 119.9012 58.9733 29.8406 178.3691 25 A 4.0044 8.1029 119.5310 54.4750 18.3898 178.7152 26 R 4.3715 7.3294 112.0578 56.0995 30.0361 177.1050 27 G 4.0989 7.9612 108.0177 45.2674 0.0000 173.7245 28 L 4.3983 7.9938 120.3767 54.0504 43.0975 176.3349 29 R 4.5577 8.4152 121.9589 55.5630 31.2241 176.4681 30 L 4.5099 8.8923 124.0996 54.7062 43.3408 177.0609 31 N 4.8383 9.1418 120.8713 51.8841 40.6466 175.5237 32 H 4.1299 8.6194 118.5459 59.1957 29.9018 175.4445 33 P 4.1561 0.0000 0.0000 65.8186 31.1130 178.1252 34 E 3.8852 8.7487 118.3111 59.1102 29.2928 179.1400 35 A 3.9676 8.2231 120.9831 55.0783 18.4357 179.6072 36 I 3.5480 7.8509 118.1684 64.4918 37.1576 178.2770 37 A 3.9377 8.0086 121.4541 55.2268 18.1924 179.7426 38 V 3.4885 7.8028 116.4638 66.3612 31.6134 178.3393 39 I 3.7013 7.9766 119.3631 64.1698 36.8201 178.1843 40 A 3.9602 8.4280 122.0894 55.2790 18.2270 179.0889 41 D 4.2176 8.4373 116.8485 57.7202 41.2168 177.7932 42 H 4.0654 8.3072 118.6347 59.4409 29.7943 177.2586 43 I 3.6878 7.7494 121.2948 64.3835 36.9960 178.4859 44 L 3.8644 8.0902 120.0195 57.9291 41.5002 179.5540 45 E 4.0481 8.7034 119.0664 59.0977 29.3557 179.6346 46 G 3.4961 8.2006 105.8193 47.5371 0.0000 175.4607 47 A 3.2409 8.0426 123.7446 54.7451 18.0393 179.5681 48 R 3.7081 7.4690 115.5626 59.7824 30.1824 178.0858 49 D 4.5297 7.8464 116.9411 55.1062 40.7540 177.2111 50 G 3.9128 7.9261 107.4768 46.0421 0.0000 174.1379 51 R 4.3048 7.8002 118.1170 55.7914 30.8911 177.1182 52 T 4.4469 8.3969 110.4121 60.8038 71.4529 175.9907 53 V 3.5821 8.0583 121.2932 66.4839 31.5005 178.2861 54 A 3.9984 7.8859 119.7638 54.9219 18.3031 179.1443 55 E 3.9422 8.2549 117.2216 59.8673 29.5418 179.7556 56 L 4.3652 7.9766 120.0878 57.4146 41.4606 179.4590 57 M 4.1079 8.2506 117.9273 57.7938 32.0671 178.4368 58 A 4.2112 7.8256 120.9412 55.1065 18.6271 179.8978 59 S 4.2734 8.7136 113.0952 61.2831 62.8393 176.7078 60 G 3.6858 8.3196 109.0313 47.2528 0.0000 174.8951 61 R 4.5956 7.4904 119.1604 55.9897 30.3003 176.4948 62 E 4.6530 7.8060 116.4070 55.7466 31.3735 176.9892 63 V 3.7144 7.8702 119.9121 64.8260 31.8801 176.1964 64 L 4.8062 7.7246 117.8838 52.7525 44.6071 176.2032 65 G 4.1009 9.3687 112.4642 43.5474 0.0000 174.4935 66 R 3.9720 8.4039 116.9338 59.2991 30.1198 179.3238 67 D 4.5000 7.9965 116.5336 57.1235 41.2009 177.2907 68 D 4.5031 8.1505 118.7658 56.0395 41.1089 176.0517 69 V 5.0528 6.9415 109.6139 59.1249 35.3473 175.6842 70 M 4.3128 8.8577 122.2123 55.1713 33.1986 175.9457 71 E 4.1444 8.6815 120.4192 58.3093 28.3905 178.1636 72 G 4.0132 9.1921 111.2243 45.2517 0.0000 175.6762 73 V 3.8554 7.8665 119.5402 65.4650 31.3177 176.0137 74 P 4.2845 0.0000 0.0000 65.7159 30.9512 178.3567 75 E 4.0588 7.7688 116.3119 59.2866 29.1227 179.0946 76 M 4.2265 7.7652 117.7571 56.5759 33.0595 176.9404 77 L 4.4695 7.1321 119.8942 53.2431 40.7298 175.7759 78 A 4.3546 8.1658 125.3323 54.6095 19.7624 176.9371 79 E 5.0713 7.7138 109.6126 55.5823 32.5588 175.3126 80 V 4.4056 8.7784 120.8556 61.1964 34.6772 173.8089 81 Q 5.2892 8.8110 128.8427 54.2620 31.5500 174.8035 82 V 4.5554 8.8304 125.2039 60.0806 35.2757 173.5291 83 E 4.8605 8.8518 124.7459 55.7645 30.5540 175.2557 84 A 4.7666 9.2765 127.8533 50.5442 23.1955 174.5543 85 T 4.9623 8.3767 117.0222 62.2527 70.3611 174.9984 86 F 4.4635 9.1616 126.0797 54.9483 41.1679 174.8969 87 P 4.2897 0.0000 0.0000 65.7908 30.9895 177.2309 88 D 4.6675 8.0554 114.9251 53.1487 39.7486 175.3948 89 G 3.8102 7.8097 106.2092 44.7209 0.0000 172.8411 90 T 4.9889 8.1515 114.8075 63.3211 69.4920 174.9965 91 K 4.7110 8.9617 123.4630 54.7528 37.1836 175.1201 92 L 4.5951 8.5757 126.1268 54.9109 43.0027 175.9460 93 V 4.5565 9.2373 126.1089 61.3675 34.5782 174.1120 94 T 4.9656 8.5360 123.3934 61.7648 71.4602 173.2479 95 V 4.1868 8.8526 127.3496 61.8986 33.0788 174.1845 96 H 4.7484 8.8703 125.2839 55.2443 29.8402 175.4510 97 Q 3.3422 8.8689 122.9162 56.6793 27.2650 173.0516 98 P 4.1391 0.0000 0.0000 64.8642 32.2018 177.6102 99 I 4.2033 8.2796 116.0567 61.1144 39.5078 175.2794 100 A 4.0987 7.9267 126.1012 52.7436 18.8598 176.3231 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 *2 R 8.25 4.35 0.00 1.85 1.92 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 3 L 7.60 4.83 0.00 1.68 1.59 0.92 0.61 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 4 T 9.60 4.15 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 1.20 0.00 0.00 5 P 0.00 4.23 0.00 2.18 2.19 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 6 H 8.19 4.25 0.00 3.16 3.34 0.00 5.64 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 7 E 8.29 3.97 0.00 2.26 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 2.34 2.37 0.00 8 Q 8.45 3.99 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 9 E 8.48 3.96 0.00 2.14 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 2.30 2.36 0.00 10 R 8.22 3.91 0.00 1.99 1.95 0.00 3.33 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 11 L 8.15 3.97 0.00 1.97 1.79 0.93 0.51 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 12 L 8.15 4.10 0.00 1.83 1.76 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.30 3.98 0.00 1.82 1.81 0.90 0.98 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 14 S 8.30 4.06 0.00 3.93 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 15 Y 8.29 4.02 0.00 3.17 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 16 A 8.39 3.73 1.37 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 17 A 7.75 3.92 1.37 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 18 E 7.64 3.75 0.00 1.95 1.86 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 2.27 2.29 0.00 19 L 7.53 3.74 0.00 1.07 1.48 0.92 0.89 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 20 A 8.17 3.91 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 R 8.23 3.92 0.00 1.96 1.96 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 22 R 8.05 3.85 0.00 1.87 2.08 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 23 R 8.11 3.87 0.00 2.00 1.94 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 24 R 8.65 4.29 0.00 1.93 2.07 0.00 3.44 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 25 A 8.10 4.00 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 26 R 7.33 4.37 0.00 1.94 2.04 0.00 3.04 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 27 G 7.96 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 0.00 0.00 0.00 28 L 7.99 4.40 0.00 1.66 1.58 0.91 0.98 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 29 R 8.42 4.56 0.00 1.69 1.93 0.00 3.20 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 1.73 1.65 0.00 30 L 8.89 4.51 0.00 1.55 1.56 0.89 0.48 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 31 N 9.14 4.84 0.00 2.98 2.98 0.00 0.00 6.70 8.23 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 32 H 8.62 4.13 0.00 3.25 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.16 0.00 2.28 2.27 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 34 E 8.75 3.89 0.00 2.22 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 2.29 2.33 0.00 35 A 8.22 3.97 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 36 I 7.85 3.55 1.95 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 0.87 0.00 0.00 37 A 8.01 3.94 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 38 V 7.80 3.49 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 1.00 0.00 0.00 0.91 0.00 0.00 39 I 7.98 3.70 1.85 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 1.65 0.70 0.90 0.00 0.00 40 A 8.43 3.96 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 41 D 8.44 4.22 0.00 2.79 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 42 H 8.31 4.07 0.00 3.32 3.50 0.00 5.64 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 43 I 7.75 3.69 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.60 0.95 0.00 0.00 44 L 8.09 3.86 0.00 1.74 1.65 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.70 4.05 0.00 1.92 1.94 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 2.54 2.44 0.00 46 G 8.20 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.24 0.37 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 48 R 7.47 3.71 0.00 1.72 2.09 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 49 D 7.85 4.53 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 50 G 7.93 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 51 R 7.80 4.30 0.00 1.96 2.05 0.00 3.34 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 52 T 8.40 4.45 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 1.23 0.00 0.00 53 V 8.06 3.58 1.90 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 1.06 0.00 0.00 0.29 0.00 0.00 54 A 7.89 4.00 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 55 E 8.25 3.94 0.00 2.34 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 0.00 2.36 2.38 0.00 56 L 7.98 4.37 0.00 1.97 1.81 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 M 8.25 4.11 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.77 0.00 58 A 7.83 4.21 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 59 S 8.71 4.27 0.00 4.09 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 0.00 60 G 8.32 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 0.00 0.00 0.00 61 R 7.49 4.60 0.00 1.95 1.98 0.00 3.10 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 62 E 7.81 4.65 0.00 2.00 1.89 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 2.38 2.34 0.00 63 V 7.87 3.71 1.99 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 0.75 0.00 0.00 0.65 0.00 0.00 64 L 7.72 4.81 0.00 1.60 1.50 0.90 0.82 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 65 G 9.37 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 66 R 8.40 3.97 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 67 D 8.00 4.50 0.00 2.66 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 68 D 8.15 4.50 0.00 2.89 2.70 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 0.00 0.00 0.00 0.00 69 V 6.94 5.05 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 0.68 0.00 0.00 1.01 0.00 0.00 70 M 8.86 4.31 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.53 0.00 71 E 8.68 4.14 0.00 1.85 1.90 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 2.32 2.28 0.00 72 G 9.19 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 73 V 7.87 3.86 2.21 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 1.05 0.00 0.00 1.00 0.00 0.00 74 P 0.00 4.28 0.00 2.19 2.09 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 75 E 7.77 4.06 0.00 2.09 1.99 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 2.32 2.39 0.00 76 M 7.77 4.23 0.00 1.83 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.51 0.00 77 L 7.13 4.47 0.00 1.74 1.64 0.93 0.94 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 78 A 8.17 4.35 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 79 E 7.71 5.07 0.00 1.91 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 2.16 2.25 0.00 80 V 8.78 4.41 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 0.92 0.00 0.00 0.91 0.00 0.00 81 Q 8.81 5.29 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 82 V 8.83 4.56 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 0.67 0.00 0.00 0.92 0.00 0.00 83 E 8.85 4.86 0.00 2.01 1.90 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 2.30 2.53 0.00 84 A 9.28 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.38 4.96 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 1.24 0.00 0.00 86 F 9.16 4.46 0.00 3.26 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 87 P 0.00 4.29 0.00 2.10 2.17 0.00 3.87 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 2.09 2.13 0.00 88 D 8.06 4.67 0.00 2.78 2.76 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 0.00 0.00 0.00 0.00 89 G 7.81 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 90 T 8.15 4.99 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 1.26 0.00 0.00 91 K 8.96 4.71 0.00 1.74 1.58 0.00 0.75 0.00 0.00 1.27 0.00 0.00 2.60 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.30 1.57 7.81 92 L 8.58 4.60 0.00 1.68 1.58 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.24 4.56 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 1.11 0.00 0.00 1.19 0.00 0.00 94 T 8.54 4.97 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 0.98 0.00 0.00 95 V 8.85 4.19 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 1.07 0.00 0.00 0.96 0.00 0.00 96 H 8.87 4.75 0.00 3.06 3.23 0.00 6.09 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 97 Q 8.87 3.34 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 98 P 0.00 4.14 0.00 2.24 2.28 0.00 3.95 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 99 I 8.28 4.20 1.87 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 1.42 0.68 0.93 0.00 0.00 100 A 7.93 4.10 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 * Residues marked with a * may have inaccurate shift predictions.