NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4003 8.0333 117.3239 63.4238 70.6304 172.4254 3 N 5.0787 8.4152 123.0149 50.8681 40.9519 172.2495 4 S 4.4133 9.0648 115.4157 58.4500 66.8662 173.6876 5 N 4.1589 9.4073 122.0254 55.1700 36.9793 173.5280 6 N 4.1868 8.2787 107.6237 54.0065 36.9090 174.5098 7 R 4.6877 7.7651 115.3297 54.2924 33.6891 174.5314 8 Q 4.8714 8.3289 119.9348 54.3898 31.6646 174.8932 9 S 4.7176 8.8283 120.4507 57.0908 64.8006 174.2090 10 E 3.9309 8.6078 120.9967 58.3153 29.6403 176.6470 11 Y 4.7486 7.0012 112.6367 55.1633 41.6282 174.5581 12 P 4.9121 0.0000 0.0000 61.7391 29.6850 176.6854 13 V 3.8558 7.3274 114.4963 61.4151 33.0063 176.1936 14 D 4.4981 8.8897 122.0751 54.0167 41.5879 175.7467 15 P 4.4533 0.0000 0.0000 65.2598 31.1962 178.3346 16 L 3.8555 8.3824 119.8146 58.1242 41.2365 179.3375 17 F 4.3880 7.8908 116.4852 59.9983 38.8741 177.1311 18 L 4.3531 7.7892 117.4410 57.1880 41.9609 178.2983 19 D 4.5949 8.2382 118.5508 55.6353 40.9392 176.9962 20 R 3.9535 7.3919 120.7692 55.6740 30.2775 175.3063 21 W 5.2369 8.5217 120.9840 56.0876 31.0595 175.0205 22 S 4.5242 8.3231 114.6090 55.8107 61.9051 172.2670 23 P 3.9492 0.0000 0.0000 61.9381 32.1824 177.0780 24 R 3.5597 8.4422 115.7282 55.6339 32.0413 176.2953 25 A 4.3058 7.6955 120.3313 51.1058 18.7635 176.2816 26 F 5.6195 8.6162 119.4468 56.7170 41.7404 175.8018 27 D 4.5734 9.1203 120.5541 53.0446 39.8674 177.5854 28 G 3.9183 8.3828 107.3275 45.7994 0.0000 174.3659 29 S 4.3413 8.3785 114.6900 56.9888 64.1492 175.0644 30 P 4.3438 0.0000 0.0000 61.7882 31.4017 173.4306 *32 P 4.1062 0.0000 0.0000 62.3089 32.8486 177.3190 33 K 3.8468 8.5924 121.9065 59.8247 31.8990 179.1946 34 E 3.9868 8.0718 118.8128 59.2577 29.5935 178.4505 35 H 4.2382 8.0244 116.4145 58.7999 28.7648 177.4431 36 L 3.7838 7.7829 121.5707 58.1105 41.8914 178.8076 37 L 3.8355 7.7642 118.7641 57.9605 41.4619 179.6744 38 T 3.8851 8.1158 115.9277 66.5038 68.3542 176.7060 39 I 3.5938 7.6577 121.6636 64.5639 37.1985 178.6128 40 L 3.6090 7.8861 119.5844 57.1521 41.0821 179.1042 41 D 4.2273 8.2305 117.9271 57.1583 41.6234 177.6413 42 A 4.2671 8.1599 121.0995 55.3234 18.4116 179.2349 43 A 3.8996 7.7807 119.3971 55.5861 18.1811 179.0888 44 H 4.3906 8.1023 110.7819 56.9850 29.0359 176.6304 45 W 4.4520 7.6849 120.1253 56.1307 29.3888 176.1724 46 A 4.2334 6.9315 122.7736 51.3786 18.4077 175.8952 47 P 4.8367 0.0000 0.0000 62.8599 32.6205 175.8319 48 S 5.1103 8.6139 111.4702 56.8129 65.8469 173.4084 49 A 4.1613 9.2579 125.1019 54.3122 18.4332 178.1158 50 S 3.7957 9.3084 116.3545 58.4987 60.6436 171.6097 51 N 4.2123 8.2202 115.5229 54.7065 37.6471 175.3410 52 H 4.1731 8.2457 115.1481 56.6247 29.4538 175.8111 53 Q 2.0000 7.6055 118.2203 55.9117 26.2175 172.5383 54 P 4.2475 0.0000 0.0000 63.4601 33.0982 178.1455 55 W 4.8421 6.2598 118.7819 56.8417 28.9292 175.9001 56 R 4.6408 9.1228 120.2332 54.5172 34.4856 174.0553 57 F 5.5051 8.7293 119.2162 55.8875 42.3044 174.4201 58 V 4.6921 9.0332 124.3006 61.2796 33.5214 173.9618 59 Y 5.6175 8.4026 124.7004 55.4289 41.5451 174.4610 60 A 4.5992 8.8379 121.3182 50.7115 23.0973 175.4510 61 H 4.8029 8.8483 117.9308 54.7928 30.0214 176.4940 62 K 2.0000 8.1314 123.1028 58.8052 31.8581 177.5276 63 D 4.5114 7.6491 115.5134 53.4502 39.2911 175.5396 64 S 4.7385 7.5742 114.2358 56.7828 63.9547 174.7411 65 E 4.0227 8.8114 123.7828 59.6194 29.3426 178.2698 66 D 4.7014 8.1752 117.5335 54.4305 40.9766 177.9866 67 W 4.2551 7.8944 130.0994 60.2679 30.6467 175.8520 68 P 4.2453 0.0000 0.0000 65.4014 30.9143 178.2582 69 L 3.9374 7.9802 118.5484 58.3506 41.9064 178.8316 70 F 4.0020 8.4254 116.3792 60.5976 39.1916 177.5654 71 V 3.4524 7.8453 118.4361 65.6883 31.0952 177.7381 72 E 4.1574 8.0613 115.9149 58.4550 29.8464 178.0862 73 L 4.3791 7.8128 118.7139 56.1560 42.0017 176.4682 74 L 4.5926 7.8700 121.5382 54.5464 40.6410 177.7650 *76 E 4.3674 8.8155 123.2706 57.1815 31.1736 178.0743 77 G 3.7072 8.0541 104.0835 47.5934 0.0000 175.0178 78 N 4.1856 7.9705 118.2994 55.9353 38.7333 177.0870 79 Q 3.7210 7.8820 118.9523 59.0998 28.5712 178.9410 80 K 3.9170 7.3857 118.2381 58.8024 32.3968 178.0242 81 W 4.7663 7.5659 114.6363 57.8265 29.8181 177.7087 82 A 4.0138 7.1133 121.5590 54.0456 17.4184 179.3731 83 K 4.1185 7.8372 116.5960 59.2132 32.9755 177.3854 84 N 4.8384 8.2233 116.5952 52.9328 39.0515 174.7945 85 A 4.3456 7.9791 121.9803 52.0283 19.1989 178.0688 86 S 4.2045 8.2088 115.2082 60.7140 64.2926 174.8807 87 V 5.0313 8.0963 118.3542 61.0556 35.1915 174.3596 88 L 5.3421 9.0408 126.1817 52.9651 45.3723 175.4935 89 L 5.2567 8.5734 121.7696 54.6874 44.8487 174.2698 90 F 5.2855 9.3970 118.4549 55.7022 42.1225 174.7545 91 V 4.7350 9.0825 124.3649 62.3040 32.9223 174.8397 92 I 5.3541 9.0033 128.2301 59.5763 41.5185 174.4898 93 S 5.2286 9.1902 118.8753 56.5486 66.6982 172.9528 94 R 3.5918 8.6700 123.9803 55.6047 29.7388 175.5888 95 D 4.1994 8.7058 126.4627 53.6907 40.6334 175.1475 96 H 4.9454 7.1628 113.6741 55.2417 31.7435 171.9740 97 T 4.6803 8.8948 108.5544 59.9586 72.6642 172.7173 98 I 5.1757 7.9839 121.4965 59.4457 40.8261 176.0548 99 S 4.4187 8.8818 121.4923 57.5956 64.0311 174.4897 100 H 3.9661 8.9052 120.3962 59.5161 29.2926 175.5085 101 E 4.2534 8.1566 115.0427 56.5000 29.4991 176.8531 102 G 3.8964 8.3027 107.5545 45.0507 0.0000 173.0647 103 E 4.3809 8.2885 120.4082 54.8965 30.6769 175.6036 104 K 4.6755 8.6051 126.8297 55.8473 33.4371 175.7433 105 K 4.6090 9.0903 128.3639 53.7198 35.1199 173.5688 106 P 4.7123 0.0000 0.0000 63.0695 32.1625 175.7434 107 S 4.6870 8.7176 120.0816 57.3496 63.2994 174.7684 108 A 4.1779 8.9022 127.8463 54.2278 18.8074 177.9039 109 T 4.6957 7.7585 104.3912 61.2576 69.8027 175.4888 110 H 4.3299 8.3425 120.7901 59.3309 28.4036 177.6242 111 S 4.4136 7.6035 118.7221 60.5594 62.7420 175.9511 112 F 4.2020 8.3454 122.9276 61.6866 38.6130 176.8080 113 D 4.5477 8.9563 118.5384 57.3993 40.5974 178.4788 114 A 4.5567 8.5288 121.5043 55.4070 18.3681 179.7704 115 G 3.8439 8.5721 104.0181 48.1169 0.0000 175.7369 116 A 3.9807 7.8583 122.4713 54.8213 18.3268 179.5933 117 A 3.7353 7.9612 119.2224 54.8621 18.3020 179.6774 118 W 4.3325 8.7483 127.3520 60.6428 30.6025 177.9842 119 F 3.1209 7.9262 119.4196 61.0027 38.8592 176.7877 120 S 4.1851 7.7884 113.6872 61.4756 62.9087 175.9848 121 L 3.9406 8.0305 122.9587 58.1512 41.7261 180.3244 122 A 3.9192 7.2529 117.5331 52.6463 18.1737 178.7786 *124 Q 4.0146 8.1219 123.6363 57.5488 31.2362 177.1777 125 A 4.0215 8.0908 120.7423 55.5771 18.9280 178.8214 126 H 4.4011 8.2571 114.9956 58.7159 29.9060 177.5273 127 L 3.9244 7.7410 117.0460 57.2871 41.5184 177.7646 128 L 4.0496 7.5623 116.1054 54.8377 41.7647 177.4359 129 G 3.6053 7.9783 107.4220 45.1208 0.0000 172.6863 130 Y 5.0121 7.6309 118.0206 56.5019 41.4716 173.9803 131 H 5.1062 9.4466 115.7791 54.4530 32.8875 173.0008 132 A 5.3131 8.7497 123.7173 50.7652 21.6412 175.7738 133 H 4.8697 9.4851 120.1135 54.7976 33.2193 173.7247 134 G 3.7480 8.9649 114.1439 45.2122 0.0000 172.8152 *136 G 3.9988 8.7300 107.0822 45.1275 0.0000 174.2873 137 G 3.8346 7.7947 110.0971 44.0359 0.0000 172.5013 138 I 4.4831 6.9665 114.8154 58.8703 41.3599 177.3250 139 F 4.6466 8.4128 121.5199 55.8173 37.2887 176.8919 140 K 3.8537 8.1028 122.7104 59.4810 32.2834 178.2819 141 D 4.3119 8.0344 118.5587 57.3776 40.7056 178.9222 142 R 3.9026 7.9058 118.2143 58.9384 30.1245 178.9284 143 I 3.3043 7.8799 120.2054 64.1225 37.0447 178.4328 144 V 3.4939 7.8000 119.1969 66.0537 30.9327 177.7817 145 E 3.8669 7.9803 117.9968 59.6287 29.1740 179.7032 146 K 4.0193 8.1261 117.2178 58.6814 32.3079 178.1097 147 L 4.3942 7.7731 116.2873 53.6727 41.8435 175.9261 148 D 4.3215 7.4080 116.0005 55.2747 38.6925 174.4226 149 I 3.7896 7.5615 119.3495 60.3407 37.9278 175.2837 150 P 4.5154 0.0000 0.0000 61.6887 32.0906 175.4997 151 D 4.4891 8.3983 119.7187 56.2237 41.2705 177.3103 152 G 3.9270 9.1081 109.7776 46.4447 0.0000 172.5317 153 F 5.0421 7.8452 116.0242 55.0734 41.9784 174.2371 154 K 4.6487 9.3057 126.7705 54.5212 34.6212 175.0574 155 V 4.1211 8.3972 127.3444 63.1292 31.5844 175.0289 156 E 4.4602 9.5267 128.1575 58.2083 30.8690 176.1082 157 A 4.3882 7.6413 118.0422 50.9162 22.2901 175.6513 158 G 3.9811 8.4915 107.0319 45.7082 0.0000 172.8729 159 V 4.8224 8.6256 120.4596 60.8487 35.1337 173.8408 160 A 5.0860 9.0326 129.7230 50.4688 21.3472 175.6801 161 I 4.7421 8.2636 122.7238 59.7593 41.3520 175.5575 162 G 4.0506 7.9374 110.5476 46.6327 0.0000 171.0565 163 T 5.2021 8.3036 116.6670 61.4150 70.8329 174.2259 164 L 4.4316 8.8664 128.7385 55.8861 42.9515 175.4446 165 T 4.7727 8.4068 118.6284 59.8923 71.3740 172.6185 166 D 4.4294 8.7455 122.4440 54.2652 41.5745 177.2897 167 K 4.0777 8.7155 125.0099 59.0854 32.8992 178.8394 168 S 4.1300 8.9423 115.0374 61.0356 62.6821 175.6815 169 I 3.9253 7.3387 113.2823 62.4741 37.7183 176.1783 170 L 4.4966 7.7097 121.6054 52.8983 42.8080 175.3773 171 P 4.4969 0.0000 0.0000 62.7310 33.2342 177.0674 172 D 4.3970 8.7058 119.1890 58.0373 40.5524 179.0317 173 D 4.6150 7.9513 118.7615 56.8183 41.1223 178.3750 174 L 4.1263 7.8793 118.7559 57.2725 41.8526 178.7513 175 A 3.9721 8.3825 121.2905 55.5720 18.2730 179.6425 176 E 4.0093 8.5465 116.7160 58.8221 29.2586 178.7341 177 R 4.5564 7.5049 115.5988 55.5605 31.8113 176.3597 178 E 4.5043 7.8168 122.1671 54.7889 28.5668 176.1450 179 V 4.2945 7.1569 111.3917 58.8034 36.3291 173.9606 180 P 4.1199 0.0000 0.0000 62.4796 31.3942 176.8929 181 S 4.3207 8.6761 117.8714 58.3099 63.6335 173.1302 182 K 4.5915 8.2160 120.2846 54.8029 34.4613 175.4832 183 R 4.7669 7.9313 117.2292 54.2543 33.8293 176.0454 184 V 3.8800 8.1182 112.7108 60.4166 32.4892 174.7231 185 P 4.4930 0.0000 0.0000 62.7781 31.9974 177.2057 186 L 3.8872 9.5813 123.9300 58.6169 41.7210 179.5402 187 A 4.0487 7.9660 118.0404 54.5176 18.4144 178.4564 188 D 4.6586 7.9890 116.3584 55.9886 41.1226 177.3056 189 V 3.8478 7.7568 109.8735 59.9631 33.7379 175.1200 190 A 4.1389 7.3743 122.4195 49.8716 20.2831 175.4724 191 F 5.0122 7.9334 121.4093 55.6362 41.7821 174.6409 192 E 4.1364 8.8969 126.7323 56.8052 30.3996 175.0559 193 G 4.4529 10.2060 118.6104 45.4644 0.0000 173.5590 194 R 4.6713 7.2591 115.4705 53.7166 34.1681 174.5936 195 F 4.1312 8.8975 123.0687 58.8290 39.3327 174.8775 196 T 4.3266 6.8373 116.4515 60.9380 69.3495 174.0824 197 G 3.4524 5.7945 111.3182 44.4854 0.0000 174.1972 198 K 4.2540 8.7020 117.5189 56.6483 31.5421 176.6101 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 T 8.03 4.40 4.27 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 1.26 0.00 0.00 3 N 8.42 5.08 0.00 2.73 2.68 0.00 0.00 6.79 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 4 S 9.06 4.41 0.00 3.83 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 5 N 9.41 4.16 0.00 2.96 2.79 0.00 0.00 7.09 7.79 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 6 N 8.28 4.19 0.00 2.67 2.73 0.00 0.00 6.96 7.66 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 7 R 7.77 4.69 0.00 1.95 1.74 0.00 3.16 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 8 Q 8.33 4.87 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 9 S 8.83 4.72 0.00 3.99 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 10 E 8.61 3.93 0.00 1.89 1.44 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 2.18 2.26 0.00 11 Y 7.00 4.75 0.00 2.98 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 12 P 0.00 4.91 0.00 2.21 2.12 0.00 3.55 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 13 V 7.33 3.86 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 0.66 0.00 0.00 1.03 0.00 0.00 14 D 8.89 4.50 0.00 2.84 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 15 P 0.00 4.45 0.00 2.31 2.31 0.00 3.79 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 2.07 0.00 16 L 8.38 3.86 0.00 1.35 1.43 0.81 1.21 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 17 F 7.89 4.39 0.00 3.12 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 18 L 7.79 4.35 0.00 1.78 1.72 0.94 1.10 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 19 D 8.24 4.59 0.00 2.63 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 20 R 7.39 3.95 0.00 1.52 1.80 0.00 2.85 0.00 0.00 2.66 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.00 21 W 8.52 5.24 0.00 3.58 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 22 S 8.32 4.52 0.00 3.70 3.36 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 23 P 0.00 3.95 0.00 1.39 0.49 0.00 3.22 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.00 24 R 8.44 3.56 0.00 1.24 1.14 0.00 2.62 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 25 A 7.70 4.31 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 26 F 8.62 5.62 0.00 3.15 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 27 D 9.12 4.57 0.00 2.76 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 28 G 8.38 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 29 S 8.38 4.34 0.00 3.99 3.90 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 30 P 0.00 4.34 0.00 2.13 1.98 0.00 3.76 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 1.95 1.93 0.00 *32 P 0.00 4.11 0.00 1.90 1.90 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.03 0.00 33 K 8.59 3.85 0.00 1.71 1.84 0.00 1.57 0.00 0.00 1.27 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 34 E 8.07 3.99 0.00 2.03 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 2.41 2.41 0.00 35 H 8.02 4.24 0.00 3.43 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.78 3.78 0.00 1.54 1.60 0.64 0.10 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 37 L 7.76 3.84 0.00 1.86 1.66 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.12 3.89 4.38 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 1.19 0.00 0.00 39 I 7.66 3.59 1.88 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 1.54 0.59 0.81 0.00 0.00 40 L 7.89 3.61 0.00 1.46 1.37 0.62 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 A 7.96 3.74 0.96 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 0.00 0.00 118 W 8.75 4.33 0.00 3.45 3.43 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 0.00 119 F 7.93 3.12 0.00 2.84 2.93 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 0.00 0.00 0.00 120 S 7.79 4.19 0.00 3.96 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 0.00 121 L 8.03 3.94 0.00 1.73 1.89 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.25 3.92 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 *124 Q 8.12 4.01 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 125 A 8.09 4.02 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 0.00 126 H 8.26 4.40 0.00 3.13 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.74 3.92 0.00 1.86 1.63 0.84 0.88 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 0.00 128 L 7.56 4.05 0.00 1.84 1.54 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.98 3.61 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 0.00 0.00 0.00 130 Y 7.63 5.01 0.00 3.02 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 0.00 131 H 9.45 5.11 0.00 3.26 3.09 0.00 5.78 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 0.00 132 A 8.75 5.31 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 0.00 133 H 9.49 4.87 0.00 3.48 3.55 0.00 5.60 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 0.00 134 G 8.96 3.75 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 *136 G 8.73 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 0.00 137 G 7.79 3.83 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 0.00 138 I 6.97 4.48 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 0.94 0.00 0.00 139 F 8.41 4.65 0.00 2.99 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 0.00 140 K 8.10 3.85 0.00 1.78 1.82 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 141 D 8.03 4.31 0.00 2.68 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 0.00 142 R 7.91 3.90 0.00 1.94 1.84 0.00 2.64 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 143 I 7.88 3.30 1.72 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.58 0.28 0.00 0.00 144 V 7.80 3.49 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 1.05 0.00 0.00 0.96 0.00 0.00 145 E 7.98 3.87 0.00 2.14 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 2.28 2.44 0.00 146 K 8.13 4.02 0.00 1.65 1.76 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 147 L 7.77 4.39 0.00 1.58 1.60 0.49 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 148 D 7.41 4.32 0.00 2.80 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 0.00 149 I 7.56 3.79 1.81 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 1.21 0.37 0.90 0.00 0.00 150 P 0.00 4.52 0.00 2.22 1.93 0.00 3.00 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.87 0.00 151 D 8.40 4.49 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 9.11 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 153 F 7.85 5.04 0.00 3.18 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 0.00 154 K 9.31 4.65 0.00 1.82 1.72 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 155 V 8.40 4.12 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 0.82 0.00 0.00 0.86 0.00 0.00 156 E 9.53 4.46 0.00 2.09 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 2.36 2.50 0.00 157 A 7.64 4.39 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 0.00 158 G 8.49 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 0.00 0.00 0.00 0.00 159 V 8.63 4.82 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 1.14 0.00 0.00 0.83 0.00 0.00 160 A 9.03 5.09 1.26 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 0.00 0.00 161 I 8.26 4.74 1.65 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 1.15 0.89 0.81 0.00 0.00 162 G 7.94 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 0.00 163 T 8.30 5.20 4.74 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 1.31 0.00 0.00 164 L 8.87 4.43 0.00 1.55 1.61 0.69 0.99 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 0.00 165 T 8.41 4.77 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 1.28 0.00 0.00 166 D 8.75 4.43 0.00 2.76 2.55 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 0.00 0.00 0.00 0.00 167 K 8.72 4.08 0.00 1.97 2.07 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.43 7.81 168 S 8.94 4.13 0.00 3.97 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 0.00 169 I 7.34 3.93 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.99 0.00 0.00 170 L 7.71 4.50 0.00 1.77 1.63 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.50 0.00 2.29 2.22 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 172 D 8.71 4.40 0.00 2.72 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 0.00 173 D 7.95 4.62 0.00 2.67 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 0.00 174 L 7.88 4.13 0.00 1.82 1.62 1.04 0.96 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 0.00 175 A 8.38 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 0.00 176 E 8.55 4.01 0.00 2.18 2.02 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 2.33 2.36 0.00 177 R 7.50 4.56 0.00 1.88 1.95 0.00 3.32 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 178 E 7.82 4.50 0.00 2.06 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 0.00 2.32 2.50 0.00 179 V 7.16 4.29 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 0.72 0.00 0.00 0.91 0.00 0.00 180 P 0.00 4.12 0.00 1.76 1.58 0.00 3.26 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.00 181 S 8.68 4.32 0.00 4.02 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 0.00 182 K 8.22 4.59 0.00 1.75 1.78 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.35 7.81 183 R 7.93 4.77 0.00 1.75 1.79 0.00 3.41 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 184 V 8.12 3.88 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 0.73 0.00 0.00 0.94 0.00 0.00 185 P 0.00 4.49 0.00 2.19 1.99 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 186 L 9.58 3.89 0.00 1.86 1.80 0.81 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 0.00 187 A 7.97 4.05 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 0.00 188 D 7.99 4.66 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 0.00 189 V 7.76 3.85 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 0.65 0.00 0.00 0.85 0.00 0.00 190 A 7.37 4.14 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 0.00 191 F 7.93 5.01 0.00 2.92 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 0.00 192 E 8.90 4.14 0.00 1.94 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 2.29 2.30 0.00 193 G 10.21 4.45 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 0.00 194 R 7.26 4.67 0.00 1.78 1.83 0.00 3.41 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 195 F 8.90 4.13 0.00 3.06 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 0.00 196 T 6.84 4.33 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 1.16 0.00 0.00 197 G 5.79 3.45 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 0.00 198 K 8.70 4.25 0.00 1.88 2.23 0.00 2.01 0.00 0.00 1.87 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.