NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1354 8.1633 120.7479 55.4026 33.3067 173.7410 2 R 4.9134 9.3469 124.8921 51.9028 32.9722 170.6969 3 V 5.0581 8.3589 120.6037 59.6230 36.2616 174.0574 4 V 4.7925 8.5163 121.5734 61.3735 34.0288 173.9890 5 I 4.5298 8.6123 130.1807 60.6977 38.5071 175.2424 6 Q 5.5818 8.7101 125.7034 53.0347 32.4306 174.7166 7 R 4.5861 8.4406 123.6270 56.0501 31.6418 175.3929 8 V 5.0084 9.1266 118.8362 59.5974 35.6302 176.7527 9 K 4.1771 9.0530 123.7310 58.5916 32.5529 176.9336 10 G 4.5423 7.7608 105.7743 45.6615 0.0000 172.3356 11 A 4.9644 8.5175 121.6797 50.9045 23.0873 175.4947 12 I 4.5996 9.3431 125.2776 59.6632 39.6726 174.4690 13 L 4.9167 8.9536 131.1071 53.7992 43.4688 175.5715 14 S 5.3046 9.1936 122.0650 56.9032 67.2365 173.2512 15 V 4.8590 8.7959 114.6199 59.5242 35.9064 175.0665 16 R 4.5664 8.5866 120.0853 55.9406 30.8472 176.8846 17 K 4.1004 7.8763 121.4075 58.8928 32.3567 177.9968 *26 E 4.5642 7.6884 117.1220 55.3846 31.2379 174.8742 27 L 5.3306 7.8131 118.6293 53.8021 44.1157 174.6187 28 E 4.8311 9.4533 118.8010 54.4092 32.4113 175.5186 29 I 4.3723 8.3369 122.6763 61.8162 37.5939 175.8807 30 I 4.7403 8.6078 115.4924 60.6808 40.0009 175.3895 31 S 4.6843 7.7922 118.3803 57.6349 67.1936 173.2053 32 E 5.3964 8.8159 123.2007 54.6065 33.3292 174.9142 33 I 4.8626 8.6653 114.8555 58.3141 41.7152 175.5802 34 K 4.9344 8.6102 128.5951 56.1458 30.5079 178.6332 35 N 4.8705 8.4799 125.7682 53.0341 39.7549 174.6394 36 G 4.7470 7.3235 109.0647 46.1426 0.0000 171.5015 37 L 5.8886 8.0094 122.3379 51.8660 45.8816 175.2490 38 I 4.4603 8.3215 123.6842 59.8684 39.8065 173.6840 39 C 4.9241 9.0167 127.8690 58.2119 30.7574 173.3803 40 F 4.9276 8.7473 124.0243 56.2370 38.7857 173.9216 41 L 4.7909 8.9773 126.6326 54.0793 43.7365 175.2568 42 G 4.8858 9.9834 114.6410 45.4283 0.0000 171.7728 43 I 4.8800 8.7342 127.1580 60.5556 38.8576 175.0744 44 H 3.9682 10.0797 127.9913 54.8360 30.4775 176.2193 45 K 3.9999 8.1631 124.3043 59.0909 32.4867 177.3635 46 N 4.7644 8.0079 115.5028 52.9061 38.8955 174.4157 47 D 4.6218 8.0832 120.3280 54.4519 41.1381 176.9982 48 T 4.4800 8.9749 115.3489 60.0542 72.1809 175.6368 49 W 4.7004 8.7381 129.0983 60.4066 30.5492 177.5012 50 E 3.8649 8.6653 119.2678 59.1996 28.8476 178.8219 51 D 4.3380 8.1482 118.4439 57.1803 41.0010 178.0448 52 A 3.7365 7.5004 120.8236 55.5637 18.1420 179.2253 53 L 3.3647 7.1207 116.9620 57.8447 41.5814 179.0172 54 Y 4.1668 8.2421 119.1282 61.1162 38.7710 178.8931 55 I 3.4849 7.7821 120.2438 64.3451 37.3101 178.0592 56 I 2.5016 7.1355 120.4870 64.1933 36.8507 178.2147 57 R 3.6898 7.9253 119.2482 59.5594 29.9034 178.7640 58 K 3.9225 7.8426 118.0975 59.3786 31.6300 179.2580 59 C 4.2298 7.8753 116.6058 62.7028 27.9766 175.7090 60 L 4.1561 7.8919 120.5248 57.4528 41.0979 178.7069 61 N 4.5026 8.3329 114.8730 53.3018 39.2753 174.2596 62 L 3.8073 7.3050 119.6967 54.9020 41.4507 177.9080 63 R 4.4840 8.5143 123.7003 55.9982 28.5314 176.5363 64 L 5.0852 8.5913 120.5069 53.9709 43.1984 176.5490 65 W 4.5700 8.6760 120.8715 54.5681 30.9010 176.9182 66 N 4.5393 8.2547 121.1671 53.4274 38.8385 172.1189 67 N 4.7896 8.3147 117.1030 56.2118 43.9303 176.8116 *70 K 4.3514 7.5160 119.1177 54.7479 33.2166 176.6628 71 T 4.6958 8.3076 103.9449 63.3645 71.9802 173.6550 72 W 3.5079 8.5758 124.0189 58.0518 27.1727 173.6821 73 D 4.6352 8.1751 121.1556 56.2293 42.3455 176.6749 74 K 4.8623 8.7900 121.4854 52.6072 34.3444 177.6455 75 N 5.2595 9.9002 120.7916 51.8098 39.8460 175.1502 76 V 3.1106 8.4549 115.6736 66.2660 31.5042 178.6996 77 K 3.2441 7.0214 117.3377 60.4483 32.2781 177.9736 78 D 4.1882 9.7797 119.0291 57.6397 40.3039 177.7333 79 L 3.6777 6.9553 121.3138 55.1523 41.8631 176.7943 80 N 4.5589 7.5010 115.6437 54.5935 37.7225 173.7700 81 Y 4.8491 7.1363 114.5101 57.2421 40.0711 173.7921 82 E 5.0843 8.5836 118.9969 55.0074 33.6673 175.2160 83 L 5.1730 8.4306 118.7094 53.1022 46.1046 175.7416 84 L 4.8702 8.8605 125.5708 53.5001 44.1979 175.0029 85 I 4.6787 8.8507 128.4206 59.8569 39.1428 174.7962 86 V 4.3100 8.4514 128.8089 60.5452 33.4594 174.9456 87 S 4.6081 8.5329 123.1008 59.0375 63.0515 173.7317 88 Q 4.3148 9.9133 126.6050 53.6445 31.7731 175.6411 89 F 4.5266 8.6640 121.6086 59.4294 38.3969 177.3002 90 T 3.6664 6.8365 109.5778 63.8923 68.0677 175.9143 91 L 4.0109 7.8493 121.0042 56.9495 41.7381 177.8868 92 F 4.9882 8.2327 115.5115 56.5121 40.4590 177.2777 93 G 4.2115 8.1120 109.9112 44.0345 0.0000 173.0837 94 N 4.5578 8.2244 122.7971 53.4398 38.2789 176.3939 95 T 4.3753 8.0168 109.9636 61.4102 69.5629 175.9210 96 K 4.0602 8.2217 126.1980 61.1305 32.2127 179.6187 97 K 4.2447 7.9468 118.0784 56.3659 32.4054 177.8948 98 G 4.0865 7.3849 102.9995 46.2784 0.0000 172.7539 99 N 4.5926 8.7754 118.4091 52.7769 38.8448 174.8457 100 K 4.3393 7.5827 120.2100 53.4436 32.9141 173.4341 101 P 4.3691 0.0000 0.0000 61.7199 31.8932 175.5580 102 D 4.2850 8.1989 122.6777 51.9147 41.3842 177.0398 103 F 5.1691 7.9061 122.5457 57.2780 38.8069 177.2670 104 H 4.3841 8.0054 117.2101 58.3538 29.3721 177.1758 105 L 4.3289 7.9055 117.3309 54.1888 41.9355 175.5722 106 A 4.3889 7.5618 121.6919 51.2244 18.7818 178.1133 107 K 4.0112 8.1772 123.4432 56.1955 33.5457 176.1437 108 E 3.9454 8.9419 125.5456 56.6411 30.0261 176.1016 109 P 4.2829 0.0000 0.0000 65.9184 31.1075 178.0431 110 N 4.4141 9.9208 116.5148 56.1147 38.5120 177.4168 111 E 4.1121 8.5986 119.8894 58.9709 29.4785 178.4556 112 A 4.1993 8.3133 120.4903 56.1463 18.4066 178.7047 113 L 2.8866 7.7351 115.6503 58.5372 42.2265 179.1053 114 I 3.7047 7.8587 117.6370 64.8415 37.4290 178.2703 115 F 4.5645 8.9654 121.4144 61.4090 39.1494 176.6165 116 Y 4.1866 9.0764 120.4226 60.9918 38.7641 177.7910 117 N 4.2246 8.8236 117.4079 55.7957 38.5378 177.6442 118 K 4.1640 7.9025 120.1366 59.4330 32.1296 179.3996 119 I 3.8933 7.9006 120.2856 64.2883 36.8857 178.6728 120 I 3.7701 8.0112 121.2062 65.0961 36.9963 177.1151 121 D 4.2732 8.4665 117.6717 57.3778 40.4716 178.5663 122 E 3.9560 8.5816 119.6936 59.8032 30.0252 179.3971 123 F 4.0856 8.2418 119.1545 61.5747 39.3356 176.9173 124 K 4.1453 8.9950 118.3816 59.5763 31.7922 178.8924 125 K 3.9589 8.7158 120.5707 59.3132 32.0428 178.6250 126 Q 4.2046 8.7879 119.1908 58.9404 29.1133 176.1742 127 Y 4.9441 8.2243 119.1240 56.7271 41.3119 173.8105 128 N 4.4228 8.1844 118.5399 52.3089 41.3437 174.6238 129 D 4.4305 8.2977 125.4244 56.1340 39.5089 179.4970 130 D 4.3410 7.9309 117.9457 56.7412 41.4689 176.7401 131 K 4.1788 9.7117 116.6563 56.9783 32.4998 176.0060 132 I 4.7571 6.9790 118.7217 59.7400 39.0996 175.4098 133 K 4.8195 8.8800 123.9401 54.6664 36.4436 175.3308 134 I 5.0262 7.8573 115.5246 58.3888 41.0180 175.0044 135 G 4.1181 7.9301 111.3515 44.6476 0.0000 174.0380 136 K 4.3927 8.3250 121.3782 54.2823 31.8106 175.2053 137 F 3.8880 8.9971 125.6736 59.8787 39.5013 174.9408 138 G 3.9185 7.9086 113.6814 46.1115 0.0000 172.1864 139 N 4.9900 7.8441 115.9303 50.6697 40.5848 174.1073 140 Y 4.0501 8.6441 122.6443 58.7450 39.2008 175.2128 141 M 4.8613 6.9577 123.8126 53.6100 36.9727 174.3678 142 N 4.6801 9.1990 118.5736 52.1131 41.6083 172.7337 143 I 4.7434 8.1868 127.2452 59.9006 38.7649 175.1976 144 D 4.7070 9.2917 128.4368 53.5209 42.2162 175.7430 145 V 4.6553 8.2504 122.9896 61.2845 34.3831 175.0054 146 T 4.2439 8.4478 125.6396 63.0762 69.1220 173.7101 147 N 4.9465 8.7084 125.1482 52.7502 39.5617 174.6028 148 D 4.1397 9.8015 125.0952 57.0038 41.3951 173.2058 149 G 3.5890 8.8693 119.2598 43.7678 0.0000 172.8784 150 P 4.6915 0.0000 0.0000 61.0933 34.1987 175.7331 151 V 4.5358 7.8601 116.5969 61.9359 34.9304 173.8265 152 T 4.7471 8.5162 123.5853 62.2928 71.6161 173.1706 153 I 4.3205 8.8230 128.4797 60.2847 39.2901 174.6016 154 Y 5.1893 8.5347 126.3213 55.9521 41.1427 174.4878 155 I 4.3130 7.7089 127.3588 59.2838 40.9060 174.1007 156 D 4.9512 8.3345 126.1567 52.3445 42.9185 176.2388 157 T 3.9498 8.6850 118.0107 64.8244 68.7403 175.5867 158 H 4.6926 8.4404 116.9015 56.9212 28.3057 175.1970 159 D 4.9606 8.0064 118.4730 53.9017 41.1138 176.5021 160 I 4.0789 7.4140 126.1444 61.5181 37.9198 175.2125 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 M 8.16 5.14 0.00 1.73 2.07 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.35 4.91 0.00 1.48 1.76 0.00 2.54 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.00 3 V 8.36 5.06 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 1.09 0.00 0.00 1.00 0.00 0.00 4 V 8.52 4.79 2.36 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 1.14 0.00 0.00 1.07 0.00 0.00 5 I 8.61 4.53 1.88 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 1.24 0.83 0.92 0.00 0.00 6 Q 8.71 5.58 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 7 R 8.44 4.59 0.00 1.64 1.80 0.00 2.21 0.00 0.00 2.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.94 0.00 8 V 9.13 5.01 2.36 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 0.77 0.00 0.00 0.99 0.00 0.00 9 K 9.05 4.18 0.00 1.65 1.85 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.79 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.54 7.81 10 G 7.76 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.96 1.17 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 0.00 0.00 0.00 0.00 0.00 12 I 9.34 4.60 1.87 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 1.11 0.56 0.91 0.00 0.00 13 L 8.95 4.92 0.00 1.65 1.63 0.89 0.70 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 14 S 9.19 5.30 0.00 3.78 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 15 V 8.80 4.86 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 0.86 0.00 0.00 1.02 0.00 0.00 16 R 8.59 4.57 0.00 1.86 1.87 0.00 3.14 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 17 K 7.88 4.10 0.00 1.65 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *26 E 7.69 4.56 0.00 1.93 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 2.30 2.27 0.00 27 L 7.81 5.33 0.00 1.82 1.63 0.98 0.60 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 28 E 9.45 4.83 0.00 2.00 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 0.00 2.21 2.27 0.00 29 I 8.34 4.37 1.88 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 1.40 0.42 0.91 0.00 0.00 30 I 8.61 4.74 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.98 0.00 0.00 31 S 7.79 4.68 0.00 3.75 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 32 E 8.82 5.40 0.00 1.77 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 2.19 2.26 0.00 33 I 8.67 4.86 1.84 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 1.19 1.21 0.88 0.00 0.00 34 K 8.61 4.93 0.00 1.73 1.16 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.51 7.81 35 N 8.48 4.87 0.00 1.44 1.73 0.00 0.00 6.65 7.74 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 36 G 7.32 4.75 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 0.00 0.00 0.00 37 L 8.01 5.89 0.00 1.65 1.58 1.13 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.32 4.46 1.71 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.24 0.92 0.00 0.00 39 C 9.02 4.92 0.00 2.76 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 40 F 8.75 4.93 0.00 3.00 2.95 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 0.00 0.00 0.00 41 L 8.98 4.79 0.00 1.91 1.73 1.15 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.98 4.89 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 0.00 0.00 0.00 43 I 8.73 4.88 2.12 0.00 0.00 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 1.55 2.03 1.27 0.00 0.00 44 H 10.08 3.97 0.00 3.19 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.16 4.00 0.00 1.92 2.10 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.44 7.81 46 N 8.01 4.76 0.00 2.56 2.80 0.00 0.00 6.98 8.06 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 47 D 8.08 4.62 0.00 2.89 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 48 T 8.97 4.48 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 1.30 0.00 0.00 49 W 8.74 4.70 0.00 3.63 3.27 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 50 E 8.67 3.86 0.00 2.04 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 2.42 2.53 0.00 51 D 8.15 4.34 0.00 2.95 2.82 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 0.00 0.00 0.00 52 A 7.50 3.74 0.48 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 53 L 7.12 3.36 0.00 1.60 1.50 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.24 4.17 0.00 2.91 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 55 I 7.78 3.48 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.94 0.00 0.00 56 I 7.14 2.50 1.48 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.42 0.00 0.00 57 R 7.93 3.69 0.00 1.70 1.88 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 58 K 7.84 3.92 0.00 1.44 1.60 0.00 1.49 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.60 0.67 7.81 59 C 7.88 4.23 0.00 3.51 3.27 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 60 L 7.89 4.16 0.00 1.80 1.61 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.33 4.50 0.00 2.66 2.84 0.00 0.00 7.05 7.56 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 62 L 7.30 3.81 0.00 1.73 1.73 0.88 1.31 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 63 R 8.51 4.48 0.00 1.91 2.17 0.00 3.20 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 64 L 8.59 5.09 0.00 1.03 1.60 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.68 4.57 0.00 3.62 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 66 N 8.25 4.54 0.00 2.61 2.71 0.00 0.00 6.79 8.00 0.00 0.00 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 N 8.31 4.79 0.00 2.74 2.71 0.00 0.00 6.68 6.68 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 *70 K 7.52 4.35 0.00 1.84 1.67 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 71 T 8.31 4.70 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 1.21 0.00 0.00 72 W 8.58 3.51 0.00 3.38 3.47 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 73 D 8.18 4.64 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 74 K 8.79 4.86 0.00 1.63 1.62 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.20 7.81 75 N 9.90 5.26 0.00 3.08 3.26 0.00 0.00 6.61 7.55 0.00 0.00 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 V 8.45 3.11 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 1.12 0.00 0.00 1.38 0.00 0.00 77 K 7.02 3.24 0.00 1.60 1.69 0.00 1.65 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 1.05 7.81 78 D 9.78 4.19 0.00 2.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.96 3.68 0.00 0.27 0.35 0.34 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.50 4.56 0.00 2.80 2.85 0.00 0.00 7.20 7.71 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 81 Y 7.14 4.85 0.00 2.53 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 82 E 8.58 5.08 0.00 1.85 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 2.29 0.00 83 L 8.43 5.17 0.00 1.34 1.35 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.86 4.87 0.00 1.66 1.41 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.85 4.68 1.82 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 0.79 0.72 1.00 0.00 0.00 86 V 8.45 4.31 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 0.96 0.00 0.00 0.80 0.00 0.00 87 S 8.53 4.61 0.00 3.10 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 88 Q 9.91 4.31 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 89 F 8.66 4.53 0.00 3.24 3.25 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 90 T 6.84 3.67 4.03 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 0.00 0.00 0.03 0.00 0.00 91 L 7.85 4.01 0.00 1.38 1.54 1.02 0.74 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 92 F 8.23 4.99 0.00 3.42 3.17 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 0.00 0.00 0.00 93 G 8.11 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.22 4.56 0.00 2.98 3.02 0.00 0.00 5.64 7.22 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 95 T 8.02 4.38 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 1.20 0.00 0.00 96 K 8.22 4.06 0.00 1.73 1.91 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.38 7.81 97 K 7.95 4.24 0.00 1.77 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.00 7.81 98 G 7.38 4.09 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 0.00 99 N 8.78 4.59 0.00 2.70 2.83 0.00 0.00 6.49 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.58 4.34 0.00 1.65 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.38 7.81 101 P 0.00 4.37 0.00 1.78 1.93 0.00 3.38 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 102 D 8.20 4.29 0.00 2.52 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 0.00 103 F 7.91 5.17 0.00 3.17 3.29 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 0.00 104 H 8.01 4.38 0.00 3.21 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.91 4.33 0.00 1.66 1.16 1.02 1.25 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 0.00 106 A 7.56 4.39 1.34 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 0.00 0.00 107 K 8.18 4.01 0.00 1.75 1.80 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.40 7.81 108 E 8.94 3.95 0.00 2.06 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 0.00 2.38 2.30 0.00 109 P 0.00 4.28 0.00 2.23 2.13 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 110 N 9.92 4.41 0.00 2.88 2.86 0.00 0.00 7.07 7.54 0.00 0.00 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 E 8.60 4.11 0.00 2.15 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 2.33 2.33 0.00 112 A 8.31 4.20 1.69 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 0.00 113 L 7.74 2.89 0.00 1.22 1.62 0.47 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.86 3.70 1.95 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 1.65 1.25 0.95 0.00 0.00 115 F 8.97 4.56 0.00 3.19 3.39 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 0.00 116 Y 9.08 4.19 0.00 3.18 3.23 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 0.00 117 N 8.82 4.22 0.00 2.72 2.83 0.00 0.00 7.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.90 4.16 0.00 2.08 1.84 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.64 7.81 119 I 7.90 3.89 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.43 1.05 0.00 0.00 120 I 8.01 3.77 1.68 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.29 0.82 0.00 0.00 121 D 8.47 4.27 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 3.96 0.00 2.46 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 2.62 2.42 0.00 123 F 8.24 4.09 0.00 3.38 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 0.00 124 K 9.00 4.15 0.00 2.06 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.60 7.81 125 K 8.72 3.96 0.00 1.81 2.05 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 126 Q 8.79 4.20 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 127 Y 8.22 4.94 0.00 2.98 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 0.00 128 N 8.18 4.42 0.00 1.58 1.55 0.00 0.00 7.10 8.37 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 0.00 129 D 8.30 4.43 0.00 2.92 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 0.00 130 D 7.93 4.34 0.00 2.57 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 0.00 131 K 9.71 4.18 0.00 1.41 1.72 0.00 1.93 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.11 0.86 7.81 132 I 6.98 4.76 1.83 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 1.25 0.40 0.76 0.00 0.00 133 K 8.88 4.82 0.00 1.57 1.60 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.62 7.81 134 I 7.86 5.03 2.09 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 1.40 1.49 0.85 0.00 0.00 135 G 7.93 4.12 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 0.00 0.00 0.00 136 K 8.33 4.39 0.00 1.83 1.85 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.39 7.81 137 F 9.00 3.89 0.00 3.03 3.02 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 0.00 138 G 7.91 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 0.00 0.00 0.00 139 N 7.84 4.99 0.00 2.98 2.79 0.00 0.00 6.77 6.79 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 0.00 140 Y 8.64 4.05 0.00 2.95 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 0.00 141 M 6.96 4.86 0.00 1.74 1.66 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 142 N 9.20 4.68 0.00 2.83 2.71 0.00 0.00 7.52 7.46 0.00 0.00 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 I 8.19 4.74 1.92 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 1.31 0.56 0.91 0.00 0.00 144 D 9.29 4.71 0.00 2.62 2.59 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 0.00 0.00 0.00 0.00 145 V 8.25 4.66 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 0.89 0.00 0.00 0.99 0.00 0.00 146 T 8.45 4.24 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 1.21 0.00 0.00 147 N 8.71 4.95 0.00 2.61 2.77 0.00 0.00 6.98 8.06 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 0.00 148 D 9.80 4.14 0.00 2.68 2.59 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 0.00 0.00 0.00 0.00 149 G 8.87 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.69 0.00 2.20 2.10 0.00 3.75 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 1.97 1.95 0.00 151 V 7.86 4.54 2.05 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 1.22 0.00 0.00 0.96 0.00 0.00 152 T 8.52 4.75 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 1.25 0.00 0.00 153 I 8.82 4.32 1.87 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 1.05 0.77 0.87 0.00 0.00 154 Y 8.53 5.19 0.00 2.91 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 0.00 155 I 7.71 4.31 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.43 0.96 0.00 0.00 156 D 8.33 4.95 0.00 2.55 2.68 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 0.00 0.00 0.00 0.00 157 T 8.68 3.95 4.32 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 1.39 0.00 0.00 158 H 8.44 4.69 0.00 3.41 3.42 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.01 4.96 0.00 2.73 2.65 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 0.00 160 I 7.41 4.08 1.52 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.29 0.68 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.