NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3632 8.3231 116.7990 57.4625 64.1551 177.2245 3 G 4.4184 8.7684 119.4757 44.3219 0.0000 170.8379 4 L 4.8653 9.2454 118.4378 55.8872 43.4442 177.4521 5 K 4.0723 8.4594 118.9329 59.7320 31.9827 178.5628 6 K 4.0921 7.8519 114.5014 57.6713 32.0705 177.6290 7 F 4.4300 7.8270 117.3768 58.5304 39.7277 176.0863 8 F 4.9030 8.0949 120.4799 54.7572 38.6360 173.8053 9 P 4.0623 0.0000 0.0000 64.6129 31.7066 177.8767 10 Y 4.8510 7.7104 113.5489 57.4727 38.6204 175.1435 11 S 4.9056 7.8588 114.8475 57.0362 66.3963 173.4469 12 T 4.3870 8.7038 112.4955 62.9378 70.1325 174.1894 13 N 5.8275 7.7681 116.9988 50.3806 41.7075 173.8595 14 V 4.5947 7.9726 112.4376 59.3872 36.5490 174.7987 15 L 4.8746 8.7949 121.8742 54.7404 43.1326 176.5644 16 K 4.9553 8.6594 123.2263 55.0925 32.4551 177.7991 17 G 3.5870 8.8142 115.6467 45.7859 0.0000 171.1942 17A A 3.2755 7.3692 114.1566 53.7993 19.9422 177.4336 18 A 4.7231 7.9797 120.6827 50.5988 20.4371 175.9749 19 A 4.9976 7.6314 122.3450 51.6740 22.6859 176.4053 20 D 5.8500 8.2552 117.0297 52.0977 42.4322 175.1949 21 I 4.5201 8.5094 121.7075 60.0772 40.1863 174.3358 22 A 4.9042 8.2283 125.1449 50.4651 21.0633 178.4834 23 L 4.0112 8.5345 119.9050 57.3451 42.2904 178.1679 24 P 4.5257 0.0000 0.0000 65.2369 31.4047 178.3620 25 S 4.2169 7.8997 111.9237 60.5102 63.0400 174.8965 26 L 4.4236 8.3501 120.7179 54.0641 41.7066 175.9689 27 A 4.2418 7.7320 122.4529 54.2424 18.4355 178.6988 28 G 3.9237 9.4048 110.9992 45.3087 0.0000 173.2103 29 K 4.7283 7.9102 119.2921 55.2137 35.2999 175.1734 30 T 4.8089 8.3659 117.1258 62.4135 70.6990 174.4639 31 V 4.7461 8.1833 124.5750 61.1200 34.7146 173.9978 32 F 4.8725 9.1399 126.8262 55.9174 41.1498 174.6785 33 F 5.1124 9.1775 123.3918 56.4161 40.9767 174.2232 34 Y 5.2059 9.4098 125.6494 55.9699 40.9975 174.2394 35 F 4.6896 9.3763 127.5433 56.7425 40.2742 175.2112 36 S 4.4373 8.2237 116.2091 57.6200 66.1972 173.3504 37 A 5.1221 7.6331 124.0548 50.5497 22.0178 177.4282 38 S 3.1521 10.0389 114.4755 59.7952 63.4117 175.8487 39 W 4.2204 7.7976 116.8319 57.9183 28.4087 175.2316 40 C 4.5165 7.1255 121.2141 57.5583 31.2192 171.8767 41 P 4.2423 0.0000 0.0000 65.4910 30.9431 176.7282 42 P 4.3930 0.0000 0.0000 65.8447 31.1275 178.1241 43 C 4.3569 7.9208 116.8675 62.9585 27.7892 176.1852 44 R 4.0770 7.8769 118.0328 59.0530 29.4873 178.3603 45 A 4.2581 8.1534 120.5734 54.7124 18.5219 179.3183 46 F 4.6704 8.7528 120.9324 60.6227 39.3548 177.5958 47 T 3.8469 8.3483 115.9746 66.3509 68.2332 174.6761 48 P 3.9461 0.0000 0.0000 65.5116 30.9341 178.7108 49 Q 3.9325 7.3898 117.5042 58.7261 28.4639 178.4545 50 L 3.8669 7.5097 121.6010 57.6238 42.0190 179.0164 51 I 4.0122 8.5550 121.1542 64.4167 37.0449 177.7919 52 D 4.4173 8.3361 119.9653 57.6315 40.6964 178.9329 53 F 4.0394 8.3951 120.9188 61.3256 39.3051 176.6302 54 Y 4.3063 8.7796 119.6567 60.7646 38.5284 177.8488 55 K 3.8952 8.7727 118.4609 59.5408 32.2170 178.8802 56 A 3.9815 7.7723 120.0179 54.6159 18.5670 177.7550 57 H 4.5396 7.7518 110.0554 54.8002 31.5785 175.1053 58 A 2.0000 7.6450 124.3927 54.4918 18.6023 179.8265 59 E 3.6396 7.6518 116.0478 59.1961 30.1239 178.6840 60 K 3.8274 7.7920 117.9592 59.3713 32.2731 177.6323 61 K 3.9982 8.1473 115.2455 56.0966 32.9495 175.8199 62 N 4.0729 7.8210 117.0589 54.6134 37.1315 171.7421 63 F 5.7465 7.9301 112.4021 55.4751 42.1922 174.7642 64 E 5.1806 9.6976 118.7637 54.6924 33.6341 174.2165 65 V 4.9666 8.8383 116.1291 59.6842 35.3376 174.1752 66 M 5.0558 9.3001 124.8038 53.4131 34.9845 174.3101 67 L 4.5387 9.2888 129.8699 55.2319 43.9116 175.6115 68 I 4.6828 8.8807 127.3864 59.5991 39.4752 174.1531 69 S 5.1698 8.8615 122.1256 57.1063 63.4393 173.5267 70 W 5.2488 9.0216 126.0619 56.8100 29.5185 176.4375 71 D 5.0070 8.9537 120.7966 54.8238 40.7717 176.6257 72 E 4.4251 9.0426 120.2661 58.4370 30.2369 177.1727 73 S 4.6825 7.7199 112.2660 55.6897 67.2614 174.4813 74 A 3.2082 8.3378 123.5265 55.2024 17.9498 179.8874 75 E 3.9183 7.9440 116.3525 59.5941 29.8684 178.7789 76 D 4.4288 7.8709 118.4835 57.4903 40.8728 178.8487 77 F 4.3989 8.0893 120.7992 61.2742 39.4255 177.2477 78 K 4.0132 8.3928 118.0950 59.8040 31.7063 179.1050 79 D 4.3765 7.9805 117.6323 57.2865 40.4790 177.8932 80 Y 4.4405 7.9587 119.6379 60.6212 38.9793 176.8297 81 Y 4.0096 8.5115 120.6040 60.4143 38.4974 177.5739 82 A 3.6215 7.6743 122.1872 55.2129 18.4234 178.4095 83 K 4.0509 7.3957 111.2355 57.3130 32.3218 176.7049 84 M 3.8583 7.0408 119.3598 52.5653 33.8155 174.0689 85 P 4.3389 0.0000 0.0000 62.4737 32.3935 176.0714 86 W 5.0085 6.4648 116.9445 55.8727 29.8883 174.1927 87 L 5.1622 8.8790 118.2368 54.4952 43.8159 175.4238 88 A 5.1151 8.6430 120.1589 50.4213 22.7108 175.5812 89 L 4.4526 9.1759 123.8065 54.0008 43.1204 175.3143 90 P 4.3861 0.0000 0.0000 62.3175 31.9483 177.3705 91 F 3.4229 7.9851 124.2444 60.8965 39.2911 176.2730 92 E 3.9485 7.9528 118.8366 58.7458 30.1971 177.6002 93 D 4.5980 7.8216 120.8785 53.1818 37.8245 176.6846 94 R 3.8521 7.4112 123.2314 58.9989 30.7074 178.7253 95 K 4.2189 7.9793 117.8803 59.0223 32.0088 179.6006 96 G 3.8492 8.7669 108.1989 47.4689 0.0000 175.2687 97 M 4.1690 8.1867 121.0547 58.6008 32.2296 178.1462 98 E 4.0189 8.6195 118.9548 59.3670 29.5455 178.9729 99 F 4.0181 8.7020 120.9866 61.5218 39.4562 177.2676 100 L 3.8801 8.3719 118.3611 57.7037 41.3343 179.5903 101 T 3.9664 8.4902 116.6365 66.9328 68.4563 176.7797 102 T 4.0051 8.4960 112.3072 64.4035 68.6656 176.8156 103 G 3.2178 7.7145 108.0790 47.2561 0.0000 174.7457 104 F 4.6123 7.7664 116.5039 55.7419 39.9194 175.3856 105 D 4.3174 7.7371 117.5152 55.1890 38.5986 174.4289 106 V 3.8406 8.0567 118.5696 62.3992 32.1683 175.4288 107 K 4.6404 8.6254 125.7663 56.7679 33.6376 175.7813 108 S 4.9224 7.6486 111.4499 57.0159 65.8098 172.6679 109 I 4.4248 7.6640 113.2861 57.7661 40.2988 173.2304 110 P 4.5914 0.0000 0.0000 63.3225 32.3360 175.7047 111 T 4.6619 8.6018 116.9301 61.8503 73.4037 172.6709 112 L 5.3930 8.4358 126.0305 53.3822 45.6238 174.8252 113 V 4.7384 9.0397 126.3653 61.0502 34.2528 174.1939 114 G 3.5668 9.0653 115.9705 44.6703 0.0000 172.7122 115 V 4.8068 7.9430 123.9555 60.8314 35.7982 173.9235 116 E 4.4570 9.1515 125.7224 55.6039 30.1598 177.5095 117 A 4.0027 8.9232 127.2014 55.4194 19.1019 179.6910 118 D 4.3217 8.3275 114.4853 57.3417 41.1642 177.7914 119 S 4.3223 8.1072 111.5951 58.6098 63.7352 175.2922 120 G 4.1943 8.4333 108.6361 45.0687 0.0000 173.3280 121 N 4.7463 8.2684 117.5935 53.3638 39.9609 174.0661 122 I 4.5311 8.3042 121.6773 60.9961 38.3478 175.6230 123 I 4.1151 8.6586 127.9469 62.7061 38.5473 175.6318 124 T 4.4789 7.3375 113.1386 61.9229 70.1740 173.1130 125 T 4.3766 8.8082 115.8426 61.8193 69.2659 174.8212 126 Q 4.5150 8.2229 122.2159 55.6098 29.7289 177.6138 127 A 3.6741 7.8473 122.1576 54.4399 16.9318 179.6956 128 R 3.3437 7.8511 117.6953 60.0106 29.8726 178.4852 129 T 4.0214 7.4283 108.4874 64.7366 68.9393 176.5154 130 M 3.5313 6.9850 121.1429 57.6943 31.3879 178.6309 131 V 2.9224 6.9816 118.1003 65.5552 31.5562 178.1018 132 V 3.7852 6.8219 116.9615 65.9782 31.6519 178.1224 133 K 4.1635 8.1594 116.8944 57.9803 33.4096 176.8792 134 D 4.9958 8.3708 118.4282 51.8987 40.9290 174.2794 135 P 4.9700 0.0000 0.0000 65.4858 31.3002 177.7769 136 E 4.3459 8.4615 116.7844 55.5443 29.5738 176.0285 137 A 4.1915 9.0840 121.7398 53.2252 16.7732 180.3826 138 K 4.1138 8.1963 118.1099 60.8082 32.3814 178.2615 139 D 4.8771 9.8505 117.4333 53.7148 41.1507 176.0406 140 F 2.3000 7.3467 121.0377 57.3620 39.5889 172.7665 141 P 2.9700 0.0000 0.0000 61.3060 31.7176 175.7064 142 W 3.5444 7.3460 115.3923 56.9441 26.2078 173.5071 143 P 4.2841 0.0000 0.0000 63.3169 31.4231 175.7700 144 N 4.3293 8.8491 122.7051 56.1790 38.9722 174.5607 145 V 3.9857 7.6274 119.8530 62.8672 31.7781 174.8107 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 S 8.32 4.36 0.00 4.22 3.12 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 3 G 8.77 4.42 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 0.00 4 L 9.25 4.87 0.00 2.02 2.29 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.46 4.07 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.58 7.81 6 K 7.85 4.09 0.00 1.44 1.66 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 7 F 7.83 4.43 0.00 2.80 2.41 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 8 F 8.09 4.90 0.00 3.15 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 9 P 0.00 4.06 0.00 0.73 1.33 0.00 3.54 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.00 10 Y 7.71 4.85 0.00 3.29 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 11 S 7.86 4.91 0.00 4.06 3.74 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 12 T 8.70 4.39 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 1.24 0.00 0.00 13 N 7.77 5.83 0.00 2.61 2.79 0.00 0.00 7.06 7.68 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 14 V 7.97 4.59 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 0.47 0.00 0.00 0.91 0.00 0.00 15 L 8.79 4.87 0.00 1.74 1.82 1.24 1.08 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 16 K 8.66 4.96 0.00 1.81 1.74 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.48 7.81 17 G 8.81 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 17A A 7.37 3.28 1.20 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 0.00 0.00 18 A 7.98 4.72 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 19 A 7.63 5.00 1.31 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 20 D 8.26 5.85 0.00 2.71 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 21 I 8.51 4.52 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.94 0.00 0.00 22 A 8.23 4.90 1.25 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 23 L 8.53 4.01 0.00 1.79 1.84 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.53 0.00 2.20 2.13 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 25 S 7.90 4.22 0.00 4.04 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 0.00 26 L 8.35 4.42 0.00 1.85 1.77 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.73 4.24 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 28 G 9.40 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 K 7.91 4.73 0.00 1.96 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.65 7.81 30 T 8.37 4.81 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 0.58 0.00 0.00 31 V 8.18 4.75 1.76 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 0.79 0.00 0.00 0.92 0.00 0.00 32 F 9.14 4.87 0.00 3.00 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 33 F 9.18 5.11 0.00 2.90 2.39 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 34 Y 9.41 5.21 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.38 4.69 0.00 2.79 2.35 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 36 S 8.22 4.44 0.00 2.72 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.63 5.12 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 10.04 3.15 0.00 3.68 3.28 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 39 W 7.80 4.22 0.00 3.48 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 40 C 7.13 4.52 0.00 1.65 2.41 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 41 P 0.00 4.24 0.00 2.24 2.16 0.00 3.76 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 42 P 0.00 4.39 0.00 2.25 2.32 0.00 3.61 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 2.04 2.05 0.00 43 C 7.92 4.36 0.00 3.18 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 44 R 7.88 4.08 0.00 2.02 2.05 0.00 3.22 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 45 A 8.15 4.26 1.39 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 0.00 0.00 46 F 8.75 4.67 0.00 3.18 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 47 T 8.35 3.85 4.48 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 1.25 0.00 0.00 48 P 0.00 3.95 0.00 2.06 2.07 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 49 Q 7.39 3.93 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 50 L 7.51 3.87 0.00 0.57 1.42 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.56 4.01 2.07 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.39 0.82 0.00 0.00 52 D 8.34 4.42 0.00 2.88 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 53 F 8.40 4.04 0.00 3.18 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 54 Y 8.78 4.31 0.00 3.70 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 55 K 8.77 3.90 0.00 1.87 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.68 7.81 56 A 7.77 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.75 4.54 0.00 2.93 2.96 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.65 2.00 -0.06 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 0.00 0.00 59 E 7.65 3.64 0.00 1.83 1.75 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 2.25 2.23 0.00 60 K 7.79 3.83 0.00 1.63 1.69 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 61 K 8.15 4.00 0.00 1.71 1.19 0.00 1.72 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 0.92 7.81 62 N 7.82 4.07 0.00 3.00 2.87 0.00 0.00 6.61 6.99 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 63 F 7.93 5.75 0.00 3.44 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 64 E 9.70 5.18 0.00 2.19 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 2.35 2.53 0.00 65 V 8.84 4.97 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 0.79 0.00 0.00 -0.39 0.00 0.00 66 M 9.30 5.06 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 67 L 9.29 4.54 0.00 2.05 1.65 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.88 4.68 0.79 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 0.70 0.70 0.91 0.00 0.00 69 S 8.86 5.17 0.00 4.46 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 70 W 9.02 5.25 0.00 3.26 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 71 D 8.95 5.01 0.00 3.10 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 72 E 9.04 4.43 0.00 2.07 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 2.21 2.34 0.00 73 S 7.72 4.68 0.00 4.23 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 74 A 8.34 3.21 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.94 3.92 0.00 2.07 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 2.41 2.46 0.00 76 D 7.87 4.43 0.00 2.90 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 77 F 8.09 4.40 0.00 2.86 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 78 K 8.39 4.01 0.00 2.00 1.91 0.00 1.91 0.00 0.00 1.88 0.00 0.00 3.73 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.94 1.73 7.81 79 D 7.98 4.38 0.00 2.71 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 80 Y 7.96 4.44 0.00 3.06 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 81 Y 8.51 4.01 0.00 2.21 2.52 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 0.00 0.00 0.00 0.00 82 A 7.67 3.62 1.24 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 0.00 0.00 83 K 7.40 4.05 0.00 1.68 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.53 7.81 84 M 7.04 3.86 0.00 0.51 1.56 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 85 P 0.00 4.34 0.00 2.05 1.87 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.46 0.00 86 W 6.46 5.01 0.00 3.55 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 87 L 8.88 5.16 0.00 1.78 1.94 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.64 5.12 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 89 L 9.18 4.45 0.00 1.78 1.68 1.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.39 0.00 2.21 1.97 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 91 F 7.99 3.42 0.00 1.51 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 92 E 7.95 3.95 0.00 1.96 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 2.34 2.41 0.00 93 D 7.82 4.60 0.00 2.80 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 94 R 7.41 3.85 0.00 1.71 1.82 0.00 2.54 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 95 K 7.98 4.22 0.00 1.47 1.85 0.00 1.35 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.34 7.81 96 G 8.77 3.85 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 0.00 0.00 0.00 97 M 8.19 4.17 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 3.09 0.00 98 E 8.62 4.02 0.00 2.23 2.03 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 2.52 2.46 0.00 99 F 8.70 4.02 0.00 3.29 3.33 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 0.00 100 L 8.37 3.88 0.00 1.99 2.01 0.45 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.49 3.97 4.62 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 1.42 0.00 0.00 102 T 8.50 4.01 4.17 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 1.23 0.00 0.00 103 G 7.71 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 0.00 0.00 0.00 104 F 7.77 4.61 0.00 3.10 2.98 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 0.00 105 D 7.74 4.32 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.06 3.84 1.82 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 0.45 0.00 0.00 0.31 0.00 0.00 107 K 8.63 4.64 0.00 1.80 1.89 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.36 7.81 108 S 7.65 4.92 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 0.00 109 I 7.66 4.42 1.41 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.35 -0.61 0.00 0.00 110 P 0.00 4.59 0.00 2.06 2.32 0.00 3.60 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 1.69 1.99 0.00 111 T 8.60 4.66 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 1.10 0.00 0.00 112 L 8.44 5.39 0.00 1.72 1.48 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 V 9.04 4.74 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 0.18 0.00 0.00 0.79 0.00 0.00 114 G 9.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.94 4.81 1.71 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 1.05 0.00 0.00 0.56 0.00 0.00 116 E 9.15 4.46 0.00 1.92 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 2.23 2.21 0.00 117 A 8.92 4.00 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 0.00 118 D 8.33 4.32 0.00 2.71 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 0.00 119 S 8.11 4.32 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.43 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.27 4.75 0.00 2.69 2.79 0.00 0.00 6.85 8.30 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 0.00 122 I 8.30 4.53 2.02 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.20 1.13 0.00 0.00 123 I 8.66 4.12 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.55 0.85 0.00 0.00 124 T 7.34 4.48 4.47 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 1.36 0.00 0.00 125 T 8.81 4.38 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 126 Q 8.22 4.52 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 127 A 7.85 3.67 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 0.00 128 R 7.85 3.34 0.00 1.45 1.61 0.00 2.94 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 129 T 7.43 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 130 M 6.98 3.53 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 131 V 6.98 2.92 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 0.66 0.00 0.00 0.21 0.00 0.00 132 V 6.82 3.79 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 0.88 0.00 0.00 1.02 0.00 0.00 133 K 8.16 4.16 0.00 1.61 1.77 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.50 7.81 134 D 8.37 5.00 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 0.00 135 P 0.00 4.97 0.00 2.34 2.32 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 136 E 8.46 4.35 0.00 2.09 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 2.29 0.00 137 A 9.08 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.20 4.11 0.00 1.89 1.97 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.62 7.81 139 D 9.85 4.88 0.00 3.17 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 0.00 140 F 7.35 2.30 0.00 2.58 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 0.00 141 P 0.00 2.97 0.00 1.57 0.83 0.00 3.63 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 142 W 7.35 3.54 0.00 3.58 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.28 0.00 2.16 2.06 0.00 3.80 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 144 N 8.85 4.33 0.00 2.94 2.93 0.00 0.00 7.01 8.07 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 0.00 145 V 7.63 3.99 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 0.86 0.00 0.00 0.94 0.00 0.00