NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2769 8.2531 123.5790 51.9337 20.9236 177.7473 4 G 3.9127 7.8179 101.9764 45.3746 0.0000 170.9670 5 V 4.0613 8.1416 124.9869 65.2103 32.3195 179.7185 6 A 4.2108 8.2665 119.0175 55.6771 17.8596 178.6632 7 A 4.1284 7.5903 115.1310 53.2575 18.9474 178.5289 8 W 4.7147 8.7053 120.1970 58.1981 29.9362 178.9663 9 L 4.1382 7.7501 123.0580 58.9563 40.2923 182.5153 10 P 4.6497 0.0000 0.0000 65.6030 30.7225 178.4973 11 F 4.3979 7.5676 116.4824 60.2449 39.0545 177.1993 12 A 4.2457 8.1553 122.7397 55.8928 18.3425 180.1139 13 R 4.0166 8.6644 118.9112 61.7072 29.0725 180.8403 14 A 4.2081 8.0114 118.8369 55.1082 18.4808 178.7834 15 A 4.3303 8.3351 116.5969 52.9954 18.6844 179.1216 16 A 3.3584 8.2259 122.7226 55.2318 18.5680 178.3592 17 I 3.4469 6.4864 117.5332 62.8563 33.9858 175.9736 18 G 3.9984 8.2506 115.8067 44.3771 0.0000 173.2194 19 W 4.5866 7.4945 117.7443 58.6315 32.5633 172.9292 20 M 3.1024 8.9890 122.2419 57.2546 30.1522 180.1576 *35 N 4.7163 8.6349 116.0545 52.6846 39.8412 174.2455 36 K 4.8927 7.9773 123.2477 55.8213 30.4241 176.4070 37 R 4.7176 8.6801 113.1497 57.0326 30.6939 173.9684 38 Q 3.8879 7.7849 117.3159 54.7951 29.2786 177.8622 39 D 4.9157 8.4584 120.8076 52.8530 42.6507 175.1974 40 E 5.0989 8.5725 123.2056 54.4750 33.8313 174.7435 41 L 4.7040 8.5280 121.8989 54.2719 42.7706 176.3926 42 I 4.6613 9.1367 117.0131 59.2425 40.7828 174.5742 43 V 4.6252 8.5517 122.8233 61.4373 34.0334 174.2688 44 L 5.0968 9.5804 130.6076 53.0403 43.2071 175.3124 45 N 4.8758 9.5567 125.0798 53.4344 40.3771 173.9817 46 V 4.3703 8.9684 127.6798 61.1981 33.0881 175.2986 47 S 3.7304 8.6923 118.8075 58.1008 62.4705 171.3905 48 G 3.6047 7.6136 112.3954 45.9926 0.0000 174.8993 49 R 3.6558 7.9285 121.8081 56.1876 30.2096 176.2091 50 R 4.6840 8.1482 122.9929 54.9464 29.9079 176.1497 51 F 4.3731 9.3050 123.9268 57.2794 40.4859 174.7854 52 Q 5.1157 8.5595 119.8402 54.7633 32.4196 174.2815 53 T 4.5657 8.5063 116.2093 60.5381 71.8141 172.7176 54 W 4.8686 8.6709 125.4436 56.3535 30.1911 177.2531 55 R 4.0004 9.5866 124.3207 60.0585 29.3752 178.6865 56 T 4.0823 7.5847 109.7143 65.5329 68.2168 175.9793 57 T 4.1015 8.0127 117.4314 66.6548 68.6870 176.1145 58 L 4.3470 7.9683 120.1021 57.8078 41.6819 178.9386 59 E 4.1669 8.1351 117.0662 58.7947 29.4075 178.9192 60 R 4.0882 7.6974 117.2341 57.9126 31.0022 175.7830 61 Y 4.4027 7.7519 116.6690 54.9057 38.0158 173.0410 62 P 4.5699 0.0000 0.0000 62.4238 32.6243 176.7075 63 D 4.6002 8.8620 114.7403 53.9384 37.8153 173.4351 64 T 4.6123 6.9613 108.7086 60.7962 71.1259 175.5133 65 L 3.5350 8.0644 126.2312 57.9591 43.5251 178.8988 66 L 3.9981 7.9207 118.3285 57.5452 41.9562 179.0685 67 G 4.3149 8.3138 107.5469 47.4555 0.0000 172.9308 68 S 5.0307 7.7019 114.8432 57.5356 65.3561 173.8754 69 T 4.1237 8.4143 111.7619 64.8121 67.0879 176.8868 70 E 4.1767 8.4140 121.6163 59.4947 29.5066 178.7376 71 K 4.3359 8.0031 117.9463 59.8337 32.2046 178.3093 72 E 4.3170 8.6690 121.1548 59.1043 29.2571 177.8495 73 F 4.7085 8.5669 116.0350 58.6367 39.3128 175.4940 74 F 4.8871 8.9005 117.4359 56.9905 40.7793 174.3206 75 F 4.5504 8.2645 122.4460 57.5466 39.7710 174.2852 76 N 4.5241 7.7746 124.9917 51.8173 39.8019 174.8728 77 E 3.8901 8.9540 127.6598 59.5374 29.5414 177.2689 78 D 4.4049 7.7382 119.6877 56.2807 41.3098 178.0915 79 T 3.7580 7.8413 114.3178 62.8202 69.0340 173.8646 80 K 3.5124 7.6176 121.4319 55.3104 31.3428 173.9575 81 E 4.7456 6.7156 111.7596 54.6493 33.4522 173.7267 82 Y 4.6876 8.5914 119.3455 58.1095 39.1493 174.5258 83 F 5.2823 8.8292 126.2096 56.3355 42.3931 174.0830 84 F 4.9247 8.2013 124.0135 55.1264 42.4336 174.9353 85 D 4.9135 8.7990 124.1995 54.7150 41.4813 175.7911 86 R 4.4034 7.4325 116.5696 53.6625 32.2997 175.7102 87 D 4.4750 8.3557 118.5197 54.0931 41.5151 175.2301 88 P 4.1643 0.0000 0.0000 65.5261 32.3260 177.3477 89 E 4.1980 8.5068 119.7409 59.2663 29.9772 178.7577 90 V 3.7142 9.8063 119.3702 65.8063 31.9686 177.5274 91 F 3.3469 7.8533 121.2563 61.2121 38.8269 177.1651 92 R 4.0256 8.0588 117.6785 59.7177 29.8973 178.6897 93 C 4.1261 8.2629 116.2787 62.7778 27.9817 176.0269 94 V 3.3342 7.4486 117.9292 65.9435 31.1458 177.3498 95 L 3.7484 7.5509 119.9777 58.2394 41.4751 178.6941 96 N 4.4478 8.7189 116.4464 56.0598 37.6784 177.1451 97 F 4.5502 8.5770 124.2717 60.9030 39.2169 176.7551 98 Y 3.9191 8.1685 115.5146 61.2358 37.6785 177.1101 99 R 4.2084 7.4302 116.6353 57.4243 30.2891 176.7204 100 T 4.2200 7.4522 108.2737 61.0320 70.2566 176.4390 101 G 3.6517 8.5757 111.9245 48.2324 0.0000 173.9539 102 K 4.2986 7.5701 118.9243 55.7043 33.2430 175.8953 103 L 4.7561 8.6801 126.6916 54.2430 43.4935 174.5692 104 H 4.9742 8.8526 123.3785 54.2975 31.1108 174.1338 105 Y 4.1174 8.5188 123.6420 55.1548 38.0957 173.1970 106 P 3.8037 0.0000 0.0000 63.4496 30.2563 178.5693 107 R 3.8862 8.0105 122.0575 56.3936 28.7753 174.5439 108 Y 4.6348 8.2505 117.5218 59.2662 39.8489 176.2784 109 E 4.1182 6.6340 117.9414 55.7067 29.9209 176.0053 110 C 4.3608 8.4861 121.3010 59.0587 32.2228 173.6918 111 I 3.8127 8.4510 127.8413 65.2230 36.7594 177.8890 112 S 4.0950 8.1882 112.3577 61.8629 61.2088 176.1880 113 A 4.0766 7.7973 122.5239 54.9541 18.0396 178.1213 114 Y 4.5739 8.3287 116.1296 58.2751 39.8788 177.6523 115 D 4.1511 8.1681 119.6890 57.5504 41.1820 177.5867 116 D 4.4390 7.9070 119.1620 57.7971 40.9830 179.3249 117 E 3.9587 7.6528 118.7658 59.4904 29.5750 179.3617 118 L 3.9016 7.6620 118.7696 57.7731 41.5806 179.5177 119 A 3.9597 8.3576 121.1178 54.8418 18.0327 179.4423 120 F 3.9170 7.6710 117.8489 61.7035 39.7687 176.6246 121 Y 4.2306 7.7823 114.2732 58.3644 37.4221 176.9881 122 G 3.8379 7.4859 107.5948 45.8005 0.0000 173.0624 123 I 4.1079 7.1999 119.8518 58.9500 38.7005 175.7396 124 L 4.1021 8.3845 125.2446 54.4503 42.2507 176.4707 125 P 3.8124 0.0000 0.0000 64.9689 32.1402 176.7068 126 E 4.5473 7.5961 113.4279 55.3983 29.0735 175.9021 127 I 4.1436 7.5427 116.1129 61.9707 37.8181 177.0506 128 I 3.9293 6.7856 121.9590 60.4086 37.5105 176.7712 129 G 3.8783 8.4690 111.4872 44.5791 0.0000 174.1719 130 D 4.4959 8.5338 119.8074 57.1070 40.7787 178.5367 131 C 4.3431 8.1592 114.2439 60.7244 29.9789 174.5913 132 C 4.8721 8.0482 119.6975 61.0876 29.4155 175.8684 *133 Y 4.3900 7.9824 121.5800 60.8209 36.2619 181.9322 134 E 4.1975 8.0813 118.2498 60.5564 29.8988 178.7990 135 E 4.1959 8.1233 117.5776 58.9356 29.5185 178.4113 136 Y 3.6884 8.5907 122.0888 60.9887 38.9797 178.0900 137 K 4.0196 7.8517 124.3833 59.5883 31.7383 181.7094 138 D 4.8394 7.9552 119.3433 55.4166 41.0283 176.9413 139 R 4.6695 7.6143 118.2110 56.4013 30.0629 176.0250 140 K 4.0118 8.0989 125.6348 55.7857 32.5869 178.1845 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 3 A 8.25 4.28 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 4 G 7.82 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 5 V 8.14 4.06 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 0.83 0.00 0.00 0.93 0.00 0.00 6 A 8.27 4.21 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 7 A 7.59 4.13 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 8 W 8.71 4.71 0.00 3.51 3.41 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 9 L 7.75 4.14 0.00 1.64 1.69 0.92 0.74 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 10 P 0.00 4.65 0.00 1.90 2.16 0.00 3.34 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 11 F 7.57 4.40 0.00 3.36 3.15 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 12 A 8.16 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 4.02 0.00 1.77 1.99 0.00 3.28 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 14 A 8.01 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 4.33 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 16 A 8.23 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 6.49 3.45 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 1.35 0.71 0.91 0.00 0.00 18 G 8.25 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 19 W 7.49 4.59 0.00 3.55 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 20 M 8.99 3.10 0.00 1.81 0.57 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 *35 N 8.63 4.72 0.00 2.81 2.69 0.00 0.00 6.39 7.44 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 36 K 7.98 4.89 0.00 1.77 0.90 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 0.99 7.81 37 R 8.68 4.72 0.00 1.71 1.82 0.00 3.42 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 38 Q 7.78 3.89 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.29 1.97 0.00 39 D 8.46 4.92 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 40 E 8.57 5.10 0.00 2.04 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 2.36 2.40 0.00 41 L 8.53 4.70 0.00 1.34 1.37 0.79 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.14 4.66 2.17 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 1.37 0.86 1.07 0.00 0.00 43 V 8.55 4.63 2.20 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 1.11 0.00 0.00 0.99 0.00 0.00 44 L 9.58 5.10 0.00 1.66 1.77 1.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.56 4.88 0.00 2.85 3.00 0.00 0.00 6.34 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 46 V 8.97 4.37 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 0.87 0.00 0.00 -0.01 0.00 0.00 47 S 8.69 3.73 0.00 4.23 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 0.00 48 G 7.61 3.60 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 0.00 0.00 0.00 49 R 7.93 3.66 0.00 1.82 1.42 0.00 3.17 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 50 R 8.15 4.68 0.00 1.63 1.88 0.00 3.19 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 51 F 9.31 4.37 0.00 3.04 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 52 Q 8.56 5.12 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 53 T 8.51 4.57 4.30 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 1.24 0.00 0.00 54 W 8.67 4.87 0.00 3.53 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 55 R 9.59 4.00 0.00 2.13 2.08 0.00 3.18 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 56 T 7.58 4.08 4.28 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 1.27 0.00 0.00 57 T 8.01 4.10 4.50 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 1.41 0.00 0.00 58 L 7.97 4.35 0.00 1.87 1.70 0.77 0.51 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 59 E 8.14 4.17 0.00 2.17 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 2.40 2.56 0.00 60 R 7.70 4.09 0.00 2.07 2.11 0.00 3.31 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 0.00 61 Y 7.75 4.40 0.00 2.75 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 62 P 0.00 4.57 0.00 2.21 2.11 0.00 3.44 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 63 D 8.86 4.60 0.00 3.01 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 64 T 6.96 4.61 4.44 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 1.26 0.00 0.00 65 L 8.06 3.53 0.00 1.63 1.61 0.30 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.92 4.00 0.00 1.29 1.46 0.55 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.31 4.31 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 0.00 68 S 7.70 5.03 0.00 4.04 4.08 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 69 T 8.41 4.12 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 1.26 0.00 0.00 70 E 8.41 4.18 0.00 2.20 2.26 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 2.74 2.70 0.00 71 K 8.00 4.34 0.00 2.17 2.33 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.60 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.43 1.51 7.81 72 E 8.67 4.32 0.00 2.22 1.74 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 2.21 2.31 0.00 73 F 8.57 4.71 0.00 3.23 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 74 F 8.90 4.89 0.00 3.11 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 75 F 8.26 4.55 0.00 2.74 2.87 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 76 N 7.77 4.52 0.00 2.60 2.42 0.00 0.00 6.55 7.23 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 77 E 8.95 3.89 0.00 1.93 1.93 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 2.31 2.43 0.00 78 D 7.74 4.40 0.00 2.69 2.50 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 79 T 7.84 3.76 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 1.08 0.00 0.00 80 K 7.62 3.51 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.26 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.46 7.81 81 E 6.72 4.75 0.00 2.24 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 2.12 2.35 0.00 82 Y 8.59 4.69 0.00 3.21 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 83 F 8.83 5.28 0.00 2.96 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 84 F 8.20 4.92 0.00 2.82 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 85 D 8.80 4.91 0.00 2.98 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 86 R 7.43 4.40 0.00 1.85 2.00 0.00 3.15 0.00 0.00 2.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.00 87 D 8.36 4.47 0.00 2.80 2.62 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 88 P 0.00 4.16 0.00 2.39 2.48 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 89 E 8.51 4.20 0.00 2.18 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 0.00 2.57 2.57 0.00 90 V 9.81 3.71 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 1.07 0.00 0.00 1.11 0.00 0.00 91 F 7.85 3.35 0.00 3.06 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 92 R 8.06 4.03 0.00 2.34 2.10 0.00 3.33 0.00 0.00 3.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 93 C 8.26 4.13 0.00 3.12 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 94 V 7.45 3.33 1.07 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 0.11 0.00 0.00 0.48 0.00 0.00 95 L 7.55 3.75 0.00 1.45 1.66 0.72 0.74 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 96 N 8.72 4.45 0.00 3.03 2.94 0.00 0.00 6.73 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 97 F 8.58 4.55 0.00 2.92 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 98 Y 8.17 3.92 0.00 3.04 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 99 R 7.43 4.21 0.00 2.04 1.91 0.00 3.24 0.00 0.00 3.36 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 100 T 7.45 4.22 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 0.00 101 G 8.58 3.65 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 0.00 102 K 7.57 4.30 0.00 1.67 1.59 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.37 7.81 103 L 8.68 4.76 0.00 1.66 1.47 0.81 0.64 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 0.00 104 H 8.85 4.97 0.00 3.10 3.19 0.00 5.74 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 0.00 105 Y 8.52 4.12 0.00 2.80 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 0.00 106 P 0.00 3.80 0.00 0.72 1.71 0.00 2.99 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.53 0.00 107 R 8.01 3.89 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 8.25 4.63 0.00 2.92 2.96 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 0.00 109 E 6.63 4.12 0.00 1.38 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 2.23 2.09 0.00 110 C 8.49 4.36 0.00 3.01 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 0.00 111 I 8.45 3.81 1.85 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 0.84 0.00 0.00 112 S 8.19 4.09 0.00 3.90 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 0.00 113 A 7.80 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 4.57 0.00 3.10 3.11 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 0.00 115 D 8.17 4.15 0.00 2.77 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 0.00 116 D 7.91 4.44 0.00 3.02 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 0.00 117 E 7.65 3.96 0.00 2.34 2.17 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 2.49 2.59 0.00 118 L 7.66 3.90 0.00 1.61 1.67 0.23 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.36 3.96 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 7.67 3.92 0.00 2.82 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 0.00 121 Y 7.78 4.23 0.00 2.95 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 0.00 122 G 7.49 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 0.00 123 I 7.20 4.11 1.57 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 0.45 0.06 0.29 0.00 0.00 124 L 8.38 4.10 0.00 1.56 1.49 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 3.81 0.00 2.04 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 126 E 7.60 4.55 0.00 1.97 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 2.15 2.25 0.00 127 I 7.54 4.14 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 1.04 0.00 0.00 128 I 6.79 3.93 1.72 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.95 0.00 0.00 129 G 8.47 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 0.00 130 D 8.53 4.50 0.00 2.66 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 0.00 131 C 8.16 4.34 0.00 3.18 3.11 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 0.00 132 C 8.05 4.87 0.00 3.04 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 *133 Y 7.98 4.39 0.00 2.34 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 0.00 0.00 0.00 0.00 134 E 8.08 4.20 0.00 2.02 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 0.00 2.43 2.37 0.00 135 E 8.12 4.20 0.00 2.14 2.26 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 2.47 2.39 0.00 136 Y 8.59 3.69 0.00 2.77 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 0.00 137 K 7.85 4.02 0.00 1.83 1.75 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 7.96 4.84 0.00 2.61 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 0.00 139 R 7.61 4.67 0.00 1.97 1.93 0.00 3.08 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 140 K 8.10 4.01 0.00 1.74 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.