NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2761 8.2549 119.6936 55.3208 32.5462 174.9721 11 E 4.5823 7.9211 117.5225 54.0669 32.5556 173.3199 12 N 5.5435 9.0977 121.2887 51.3263 43.4995 173.0255 13 L 4.7926 8.9952 123.2477 53.4963 44.6626 174.3210 14 Y 4.9080 8.4627 126.2487 55.7235 41.8677 174.2936 15 F 4.5216 8.3922 128.1460 58.0980 42.8832 174.1269 16 Q 2.9018 8.7200 128.2708 56.8253 25.8954 174.7118 17 G 3.9159 7.2807 103.7469 44.9838 0.0000 172.7733 18 N 5.0574 7.1287 116.3867 51.2052 42.0920 173.1373 19 F 5.4838 8.6042 118.4087 56.1875 42.2520 173.9543 20 D 4.8463 9.1564 122.2870 53.6495 45.2228 174.6207 *21 Y 4.6719 8.3514 121.9127 57.5533 37.8023 175.1411 22 M 4.8936 8.6661 120.2039 53.6468 35.4396 175.6463 23 F 4.4244 9.2429 121.8020 56.9985 40.5997 174.7253 24 K 4.6314 8.7873 126.0061 55.7606 33.1472 175.0258 25 L 5.0277 9.0819 128.5285 52.8137 44.5508 175.7327 26 L 5.0856 8.3654 123.0691 52.8683 45.1201 175.3967 27 I 4.9936 8.2554 123.1779 59.6232 39.1662 175.0097 28 I 4.4321 9.6292 120.2227 58.7438 41.6278 174.3149 29 G 3.6949 6.7574 107.8539 43.0676 0.0000 172.7900 30 N 4.7514 8.3609 117.5658 53.0693 39.0991 175.1866 31 S 4.0795 8.5530 116.6269 60.7983 63.2368 174.9170 32 S 4.2009 8.9092 117.6182 58.5094 60.5406 170.1440 33 V 3.7140 7.3556 112.1808 62.8928 31.5487 176.9757 34 G 4.2456 8.4256 109.3646 45.6120 0.0000 175.8174 35 K 3.8458 8.4285 120.7409 59.6356 32.0102 179.1382 36 T 3.5150 7.6892 115.2061 66.6459 68.2919 176.7204 37 S 4.1375 7.8950 116.5233 61.4534 62.8592 176.4885 38 F 3.9999 8.6061 123.6234 61.1785 39.1940 176.8525 39 L 4.2100 8.4389 120.3134 58.5715 41.8441 179.0694 40 F 4.4737 8.8082 118.0948 60.4989 38.7909 177.7309 41 R 3.9074 8.5561 118.9694 59.4577 29.9820 177.9469 42 Y 4.0047 8.1356 119.1915 60.4946 38.7489 177.7446 43 A 3.7844 8.2728 121.7140 55.2972 18.6383 179.2235 44 D 4.1887 8.2770 117.5115 57.7790 40.7211 178.6712 45 D 4.3733 8.1157 118.4603 57.0643 40.8337 178.2984 46 T 4.2651 7.2620 109.0192 60.7434 69.5142 175.0086 *47 F 3.6071 7.5876 117.4721 58.7144 35.9087 179.4362 48 T 4.6241 7.8073 117.7307 61.2937 71.2009 173.2396 49 P 4.1933 0.0000 0.0000 62.4052 32.2744 175.1018 50 A 4.6926 7.5705 119.9624 50.0238 22.1221 175.4249 51 F 5.0128 9.0735 118.3453 55.6194 42.5408 174.7477 52 V 5.0266 8.6481 121.8077 61.2794 34.0016 174.3880 53 S 4.9468 9.7151 122.5197 56.8293 65.7537 172.3927 54 T 5.1701 8.5284 121.4655 61.9309 70.5775 173.9547 55 V 4.2059 9.5010 126.8332 61.9672 34.2502 176.2367 56 G 4.4396 8.8424 114.7149 45.5876 0.0000 173.7191 57 I 3.8929 8.7492 120.1433 64.1327 37.2611 178.2458 58 D 4.5883 7.0129 115.6456 53.3910 39.9051 174.4760 59 F 4.7975 8.0520 118.9854 57.5244 40.6903 174.9116 60 K 5.2497 9.2385 122.0465 54.7142 35.4623 175.0947 61 V 5.0525 9.1691 124.0588 61.2083 34.0547 174.4065 62 K 5.2449 9.3158 127.2007 55.0405 35.4260 175.2957 63 T 5.1166 9.4209 121.5466 61.6867 72.7936 173.0131 64 V 4.6711 8.7442 125.8022 61.2520 34.4503 173.5296 65 Y 5.2225 8.8857 125.0357 56.4186 40.2052 175.0540 66 R 4.5078 9.2087 123.6137 55.1565 32.1925 176.7656 67 H 4.2668 9.0105 124.1762 59.5204 29.3589 178.3383 68 E 3.9869 8.1889 113.5307 58.5905 29.6261 179.8154 69 K 4.3105 8.0165 115.8848 56.0673 33.2920 176.3835 70 R 3.9677 7.7518 117.8913 57.6652 27.9528 176.1105 71 V 5.0324 7.9703 110.0198 59.4781 36.2139 176.0444 72 K 4.8103 9.2118 126.7046 54.7418 34.2173 174.5311 73 L 5.1009 8.8413 128.2259 53.0438 44.0942 175.4790 74 Q 5.0628 9.0899 124.4098 54.6098 33.0887 173.1995 75 I 4.9312 9.0910 126.8145 58.5151 39.9124 174.2664 76 W 5.1718 8.2537 135.0000 55.2576 32.5326 174.5806 77 D 4.2832 8.7469 127.4208 55.3512 41.2314 178.3300 78 T 3.8696 8.7674 118.7470 66.9977 68.0867 176.7538 79 A 4.2673 7.9906 122.0636 54.9040 18.4332 179.8104 80 G 2.3723 7.2680 103.9853 47.5320 0.0000 175.8785 81 Q 4.7131 6.7731 120.7247 58.2367 28.7784 178.4313 82 E 4.0492 7.7570 117.9216 58.1659 29.5283 177.6017 83 R 3.9466 6.8680 118.4021 56.6164 31.2494 175.1358 84 Y 4.6345 7.9164 116.1634 55.7222 39.3310 176.2983 85 R 4.0445 8.7851 125.7294 59.7301 30.4045 178.3707 86 T 3.9750 7.9838 109.1703 64.8932 68.9534 176.4568 87 I 3.6492 7.8354 122.2230 64.2581 37.1415 178.4203 88 T 4.4374 8.3004 116.9383 67.0704 68.3590 176.8767 89 T 4.1122 8.4926 111.7990 64.9203 68.4690 176.2579 90 A 4.0348 8.0221 122.7742 54.9128 18.1306 178.6261 91 Y 4.2632 8.1470 118.0260 61.3608 38.9368 178.1041 92 Y 4.1434 8.4755 117.5161 59.3182 37.9259 175.9538 93 R 4.2977 7.3212 119.7241 57.1943 30.2905 176.0738 94 G 3.9105 9.2020 112.2759 46.0932 0.0000 173.0092 95 A 3.9926 8.1024 123.2133 52.4134 19.0828 179.1487 96 M 4.6641 8.9594 122.0181 57.3648 33.8105 176.5331 97 G 4.5167 7.5533 103.2747 44.9507 0.0000 171.9315 98 F 5.3252 9.3055 119.4294 55.4446 43.2551 174.3664 99 I 4.3750 8.7107 124.1914 60.1544 38.5093 174.7011 100 L 4.7032 8.8881 131.4424 53.8068 42.9886 174.4930 101 M 5.0735 8.8085 127.8188 53.9094 34.7541 174.2003 102 Y 4.9481 8.7755 122.8498 55.3241 42.7536 173.1375 103 D 5.0201 9.2067 119.3216 52.2265 42.9527 177.0610 104 I 4.0490 8.6831 120.6474 63.5401 37.7303 177.3384 105 T 4.5692 8.2169 109.4222 60.6417 68.7709 174.0646 106 N 4.8456 8.5975 121.7115 51.1854 40.7749 174.1878 107 E 4.1254 8.9363 127.5422 59.3467 29.7716 178.0021 108 E 3.9876 8.2991 119.2123 59.2794 29.5078 178.7621 109 S 4.3064 8.2407 113.5874 61.5268 63.4106 176.0294 110 F 4.1695 8.1240 122.9972 60.9688 38.9007 177.0075 111 N 4.2303 8.2687 115.1024 55.5819 38.6451 176.4986 112 A 4.1563 8.0300 121.2045 53.2732 18.5195 179.4874 113 V 3.7989 7.6207 119.7997 66.5506 31.6180 178.3665 114 Q 3.9867 7.9683 119.9444 60.6569 27.9713 180.4268 115 D 4.4573 7.9091 120.4060 56.8800 40.8668 178.8348 116 W 4.2575 8.2179 119.3640 59.4158 28.8898 178.4047 117 A 4.1788 8.5311 121.2885 55.6197 17.8628 179.8553 118 T 3.7888 7.9857 114.1675 66.5814 68.6019 176.4203 119 Q 3.7666 7.8140 121.1826 59.4623 28.8741 178.7040 120 I 3.3756 7.6385 120.3594 64.4423 36.8611 178.6357 121 K 4.0411 7.5561 118.0532 59.5914 31.9724 179.3026 122 T 3.9592 7.7072 115.1205 66.7693 68.4711 175.1898 *123 Y 4.2925 7.9069 117.0536 58.6603 38.3865 175.6076 124 S 5.0780 7.5143 114.7392 55.4457 66.2870 173.3009 125 W 4.5676 8.4700 132.7224 58.8569 30.8121 176.7549 126 D 4.3127 9.3237 126.8117 56.9850 39.0967 176.2339 127 N 4.3467 5.7700 113.3168 51.1831 37.6656 176.1488 128 A 4.9176 7.0796 121.7296 52.8610 18.8800 178.4945 129 Q 4.3438 8.8374 122.0085 55.5847 30.7527 175.2213 130 V 4.8298 8.3486 121.6657 61.1194 35.2583 173.8632 131 I 4.8894 8.4808 128.3538 59.3302 39.7937 174.4488 132 L 4.7861 9.2001 130.8824 54.7349 43.3486 175.4956 133 V 4.3999 8.9056 127.0837 60.9095 34.3337 174.7606 134 G 2.9495 8.1900 116.4058 45.0771 0.0000 172.5374 135 N 4.9741 8.7639 126.7217 52.6639 41.1994 174.6874 136 K 4.3187 8.8576 117.1949 58.0202 28.8367 178.2099 137 C 4.2417 8.2248 115.3086 60.1891 29.4662 174.4507 138 D 4.4118 8.1180 120.2974 55.9666 39.7831 176.5051 139 M 4.4818 7.9054 122.6198 54.1881 31.6435 177.1982 140 E 3.9638 8.0999 121.3741 59.4967 30.3004 180.0928 141 E 4.0408 8.2140 115.1088 58.5086 29.6871 177.2253 142 E 4.5314 8.2159 118.1113 55.6550 30.0795 175.5709 143 R 4.1899 7.7610 120.3231 56.8111 30.4146 176.6218 144 V 4.2518 8.4947 115.9813 60.6205 33.5713 175.7647 145 V 4.0523 7.5286 119.2014 59.8902 31.9014 173.1391 146 P 4.3678 0.0000 0.0000 62.8227 32.0337 177.8417 147 T 4.3141 8.8049 122.2357 67.0430 68.3431 177.2908 148 E 3.9335 8.1535 119.4179 60.8569 29.6938 181.4631 149 K 4.2476 7.8499 118.0075 59.4615 32.0907 179.7137 150 G 3.4955 7.5437 106.7591 47.3236 0.0000 175.5193 151 Q 3.3657 7.3636 121.0128 58.2999 28.6606 178.9184 152 L 3.9078 7.6870 121.2458 57.7242 42.1562 178.6705 153 L 3.7950 7.9528 120.1322 58.1139 42.0425 178.6226 154 A 4.0497 7.9538 120.6585 55.3449 17.9811 179.5619 155 E 3.8666 8.0588 117.0315 59.5763 29.4310 179.4672 156 Q 3.9931 7.7914 115.5543 58.0525 28.9285 177.1630 157 L 4.1270 7.5111 119.1974 53.6416 42.0651 176.8555 158 G 3.7845 7.2766 106.7393 46.1534 0.0000 173.4214 159 F 5.3697 7.8277 117.5928 55.5289 41.2818 175.4087 160 D 4.8295 8.8249 120.9641 54.5464 42.7498 174.7184 161 F 5.9473 8.3634 122.6290 56.9748 42.5216 173.2627 *162 F 4.4472 7.6929 122.6118 55.7765 43.0511 173.2437 163 E 4.6629 8.2681 120.2961 55.5445 31.6443 174.9197 164 A 4.6823 8.5951 123.0811 50.9213 23.9552 175.2217 165 S 4.7151 9.2290 113.2612 56.7842 65.1638 174.6509 166 A 3.9059 9.0133 131.8407 55.1262 18.5360 179.4446 167 K 4.0543 8.1082 115.8250 59.0541 32.4002 177.2084 168 E 4.3569 8.4194 115.5956 55.1983 29.9752 175.0297 169 N 4.0008 7.3781 115.2914 54.6165 37.9121 174.3002 170 I 4.2174 7.8622 118.5081 60.5566 38.3272 176.6756 171 S 3.9295 8.5884 121.9109 59.9197 60.5657 174.7405 172 V 3.2809 7.7065 119.6543 65.8097 31.5227 177.0682 173 R 4.2724 7.9598 117.1468 59.5666 29.9813 178.5122 174 Q 4.1085 8.3840 120.0086 58.8795 28.9904 178.6896 175 A 3.8449 7.4912 119.9977 55.5185 18.3265 179.7142 176 F 4.2116 7.8735 116.0889 60.3429 38.7795 178.0765 177 E 3.9810 8.1899 116.9912 59.4597 29.5327 179.0368 178 R 3.8677 8.2941 119.9818 58.8086 30.0915 178.3074 179 L 3.8858 7.8593 120.2083 58.2401 42.0925 179.0291 180 V 3.2628 7.8872 118.2983 66.0362 31.2106 177.7172 181 D 4.2851 8.0229 118.1006 57.2297 40.7309 178.5311 182 A 4.0013 8.0516 121.2451 55.1265 18.4999 179.6600 183 I 3.7434 7.8489 118.2152 64.9020 37.0346 178.4323 184 C 4.3258 8.2010 118.6657 63.7011 28.0692 176.2884 185 D 4.5643 8.2473 121.8009 58.1320 39.3550 180.1989 186 K 4.3262 7.8589 119.7864 59.6927 32.4403 177.0591 187 M 4.4909 7.9214 119.8246 55.7253 31.5906 175.6851 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 10 R 8.25 4.28 0.00 1.76 2.04 0.00 3.09 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 11 E 7.92 4.58 0.00 2.06 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 2.26 2.35 0.00 12 N 9.10 5.54 0.00 2.66 2.88 0.00 0.00 6.93 7.85 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 13 L 9.00 4.79 0.00 1.74 1.51 0.82 0.69 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 14 Y 8.46 4.91 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.52 0.00 2.83 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 16 Q 8.72 2.90 0.00 1.67 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 1.16 1.45 0.00 17 G 7.28 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 18 N 7.13 5.06 0.00 2.70 2.63 0.00 0.00 6.71 7.67 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 19 F 8.60 5.48 0.00 2.91 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 20 D 9.16 4.85 0.00 2.77 2.45 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 *21 Y 8.35 4.67 0.00 2.14 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 0.00 0.00 0.00 22 M 8.67 4.89 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 23 F 9.24 4.42 0.00 2.91 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 24 K 8.79 4.63 0.00 1.80 1.64 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.37 7.81 25 L 9.08 5.03 0.00 1.49 1.50 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.37 5.09 0.00 1.04 1.31 -0.19 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.26 4.99 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.80 0.00 0.00 28 I 9.63 4.43 1.52 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 1.16 0.00 0.00 29 G 6.76 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 30 N 8.36 4.75 0.00 3.00 2.90 0.00 0.00 6.79 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 31 S 8.55 4.08 0.00 3.90 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 32 S 8.91 4.20 0.00 4.02 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 33 V 7.36 3.71 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 0.79 0.00 0.00 0.96 0.00 0.00 34 G 8.43 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 0.00 0.00 0.00 0.00 35 K 8.43 3.85 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 36 T 7.69 3.52 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 37 S 7.89 4.14 0.00 4.04 3.95 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 38 F 8.61 4.00 0.00 3.31 3.21 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 39 L 8.44 4.21 0.00 1.94 1.87 0.92 1.39 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 40 F 8.81 4.47 0.00 3.12 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 41 R 8.56 3.91 0.00 2.00 2.02 0.00 3.24 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 42 Y 8.14 4.00 0.00 3.26 3.20 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 0.00 43 A 8.27 3.78 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 44 D 8.28 4.19 0.00 2.82 2.67 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 0.00 0.00 0.00 45 D 8.12 4.37 0.00 2.61 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 46 T 7.26 4.27 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 0.62 0.00 0.00 *47 F 7.59 3.61 0.00 2.50 2.24 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 0.00 48 T 7.81 4.62 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 1.19 0.00 0.00 49 P 0.00 4.19 0.00 1.52 1.84 0.00 3.64 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 1.87 1.96 0.00 50 A 7.57 4.69 0.97 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 51 F 9.07 5.01 0.00 3.07 2.99 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 0.00 0.00 0.00 52 V 8.65 5.03 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 0.91 0.00 0.00 1.15 0.00 0.00 53 S 9.72 4.95 0.00 3.93 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 54 T 8.53 5.17 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 1.35 0.00 0.00 55 V 9.50 4.21 2.40 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 0.51 0.00 0.00 0.67 0.00 0.00 56 G 8.84 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 0.00 0.00 0.00 0.00 57 I 8.75 3.89 1.73 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 1.50 0.66 0.84 0.00 0.00 58 D 7.01 4.59 0.00 2.57 2.54 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 59 F 8.05 4.80 0.00 3.51 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 60 K 9.24 5.25 0.00 2.04 1.80 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.55 7.81 61 V 9.17 5.05 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 1.06 0.00 0.00 0.82 0.00 0.00 62 K 9.32 5.24 0.00 1.77 1.86 0.00 1.65 0.00 0.00 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0.00 0.00 0.00 1.75 1.73 0.00 71 V 7.97 5.03 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 0.87 0.00 0.00 0.94 0.00 0.00 72 K 9.21 4.81 0.00 1.89 1.66 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 0.83 7.81 73 L 8.84 5.10 0.00 1.34 1.22 -0.16 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.09 5.06 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 75 I 9.09 4.93 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.31 0.91 0.00 0.00 76 W 8.25 5.17 0.00 2.24 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 0.00 0.00 0.00 77 D 8.75 4.28 0.00 2.40 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 78 T 8.77 3.87 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 1.49 0.00 0.00 79 A 7.99 4.27 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 80 G 7.27 2.37 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 0.00 81 Q 6.77 4.71 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.56 1.88 0.00 82 E 7.76 4.05 0.00 1.97 1.92 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 2.27 2.53 0.00 83 R 6.87 3.95 0.00 1.41 1.39 0.00 2.88 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 84 Y 7.92 4.63 0.00 3.47 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 4.04 0.00 2.02 1.99 0.00 3.29 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.26 0.00 86 T 7.98 3.98 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 87 I 7.84 3.65 1.83 0.00 0.00 0.38 0.00 0.00 0.00 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8.68 4.05 1.90 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 1.56 0.65 0.79 0.00 0.00 105 T 8.22 4.57 4.34 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 1.22 0.00 0.00 106 N 8.60 4.85 0.00 2.71 2.78 0.00 0.00 6.81 7.35 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 0.00 107 E 8.94 4.13 0.00 2.13 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 2.46 2.46 0.00 108 E 8.30 3.99 0.00 2.21 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 2.38 1.94 0.00 109 S 8.24 4.31 0.00 4.26 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 0.00 110 F 8.12 4.17 0.00 2.97 3.22 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 0.00 111 N 8.27 4.23 0.00 2.88 2.82 0.00 0.00 7.02 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.03 4.16 1.54 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 129 Q 8.84 4.34 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 130 V 8.35 4.83 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 0.10 0.00 0.00 0.77 0.00 0.00 131 I 8.48 4.89 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.85 0.00 0.00 132 L 9.20 4.79 0.00 2.18 2.17 1.30 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.91 4.40 1.68 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 0.66 0.00 0.00 0.68 0.00 0.00 134 G 8.19 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 0.00 0.00 0.00 135 N 8.76 4.97 0.00 2.59 2.75 0.00 0.00 7.06 6.52 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 0.00 136 K 8.86 4.32 0.00 2.02 1.94 0.00 2.24 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.35 7.81 137 C 8.22 4.24 0.00 3.03 3.03 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 0.00 138 D 8.12 4.41 0.00 2.84 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 0.00 139 M 7.91 4.48 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 140 E 8.10 3.96 0.00 1.99 2.01 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 2.56 2.26 0.00 141 E 8.21 4.04 0.00 2.07 2.10 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 2.28 2.28 0.00 142 E 8.22 4.53 0.00 2.12 1.98 0.00 0.00 0.00 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 2.08 0.00 143 R 7.76 4.19 0.00 1.79 1.93 0.00 3.20 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 144 V 8.49 4.25 2.10 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 0.75 0.00 0.00 0.95 0.00 0.00 145 V 7.53 4.05 2.10 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 -0.11 0.00 0.00 0.98 0.00 0.00 146 P 0.00 4.37 0.00 2.15 1.93 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 147 T 8.80 4.31 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 1.49 0.00 0.00 148 E 8.15 3.93 0.00 1.97 1.96 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 2.31 1.97 0.00 149 K 7.85 4.25 0.00 1.52 1.73 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.36 7.81 150 G 7.54 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 0.00 151 Q 7.36 3.37 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 152 L 7.69 3.91 0.00 1.86 1.60 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.95 3.79 0.00 1.91 1.65 0.77 0.35 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 0.00 154 A 7.95 4.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.87 0.00 2.26 1.96 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 2.33 2.19 0.00 156 Q 7.79 3.99 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 157 L 7.51 4.13 0.00 0.81 0.13 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 158 G 7.28 3.78 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 0.00 0.00 0.00 159 F 7.83 5.37 0.00 2.96 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 0.00 160 D 8.82 4.83 0.00 2.90 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 0.00 161 F 8.36 5.95 0.00 3.09 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 *162 F 7.69 4.45 0.00 2.08 1.92 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 0.00 163 E 8.27 4.66 0.00 1.81 1.73 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 2.23 2.20 0.00 164 A 8.60 4.68 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 0.00 165 S 9.23 4.72 0.00 3.82 3.66 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 0.00 0.00 0.00 0.00 166 A 9.01 3.91 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 0.00 167 K 8.11 4.05 0.00 2.00 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.03 7.81 168 E 8.42 4.36 0.00 1.96 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 2.26 2.36 0.00 169 N 7.38 4.00 0.00 2.85 2.81 0.00 0.00 7.02 7.82 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 0.00 170 I 7.86 4.22 1.94 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 1.28 0.72 0.88 0.00 0.00 171 S 8.59 3.93 0.00 4.08 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 0.00 172 V 7.71 3.28 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 0.63 0.00 0.00 0.61 0.00 0.00 173 R 7.96 4.27 0.00 1.95 2.08 0.00 3.23 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 174 Q 8.38 4.11 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 175 A 7.49 3.84 1.19 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 0.00 0.00 176 F 7.87 4.21 0.00 2.83 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 0.00 177 E 8.19 3.98 0.00 2.23 2.29 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 2.74 2.39 0.00 178 R 8.29 3.87 0.00 2.03 2.17 0.00 3.21 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 179 L 7.86 3.89 0.00 1.90 1.83 1.00 0.76 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 0.00 180 V 7.89 3.26 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 0.58 0.00 0.00 0.79 0.00 0.00 181 D 8.02 4.29 0.00 2.95 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 0.00 182 A 8.05 4.00 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 0.00 183 I 7.85 3.74 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.20 1.12 0.00 0.00 184 C 8.20 4.33 0.00 2.95 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 0.00 185 D 8.25 4.56 0.00 2.76 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 0.00 186 K 7.86 4.33 0.00 1.96 2.16 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.51 7.81 187 M 7.92 4.49 0.00 2.49 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.02 0.00 * Residues marked with a * may have inaccurate shift predictions.