NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1483 8.2644 123.5723 51.9678 19.8738 176.3820 3 S 4.2655 8.3486 117.9720 56.3330 63.3941 173.0139 4 L 3.9607 8.8605 133.2347 57.8230 42.3364 178.1203 5 A 3.9768 7.8955 120.7307 55.1502 18.4357 179.4230 6 R 3.8688 8.1245 117.0363 59.1056 30.1004 178.7010 7 A 4.1785 7.7320 120.8660 55.1357 18.4601 179.5311 8 V 3.5175 7.9103 116.9318 66.2815 31.5069 177.4912 9 E 3.9452 8.3249 118.8970 59.7331 29.3308 179.1548 10 R 3.9908 8.2340 117.7568 59.1146 30.2290 178.8485 11 L 3.9696 8.0725 120.1815 57.9503 41.9119 178.7691 12 K 3.8978 8.5428 118.5036 59.6783 32.1254 178.1922 13 A 4.1506 8.3676 120.8624 55.1530 17.9818 179.5127 14 A 4.0519 7.9958 118.9898 55.1112 18.3230 179.2163 15 L 4.3289 7.7910 114.6874 56.1868 41.9667 178.1707 16 E 4.3512 7.6625 117.6087 56.2864 30.3232 176.4248 17 R 4.4512 6.8705 116.4743 54.0123 31.4139 174.5778 18 P 4.2721 0.0000 0.0000 62.9115 31.8382 176.3581 19 K 4.1675 8.5388 123.9190 56.4578 33.0008 175.9286 20 D 4.5242 8.2014 123.4493 51.1509 43.2303 176.0035 21 E 3.6344 8.4696 118.8992 59.9057 28.9133 179.5976 22 F 4.2825 8.2238 118.5521 60.4119 39.1341 177.8539 23 I 3.8584 8.0196 120.3219 63.6550 36.9986 178.1218 24 R 3.5648 8.1193 119.9179 59.7439 29.7931 178.4426 25 D 4.4553 7.9822 118.2760 57.1327 40.8238 178.9371 26 S 4.1876 8.4763 114.9798 61.3166 62.9154 176.4892 27 A 4.1886 8.3300 124.4919 54.9669 18.1343 179.7046 28 I 3.7643 7.8052 118.3606 64.5863 37.2689 178.4355 29 Q 4.0259 8.4434 120.6758 59.3025 28.8911 178.5684 30 R 2.5100 8.0297 119.1680 58.4837 29.9964 178.7474 31 F 4.1866 8.3579 120.9958 60.9928 39.2274 176.6709 32 E 3.7178 8.2385 119.2744 59.3293 29.4139 178.8272 33 F 4.4115 7.5173 113.6298 59.7620 38.1135 177.8025 34 T 3.8462 7.3859 116.6890 66.2742 68.1420 176.4594 35 F 4.1097 8.1104 122.8550 60.7780 39.3947 177.0040 36 E 4.2855 8.0217 119.3145 59.4489 29.5273 178.5817 37 L 3.8251 8.2788 120.4486 57.9304 41.9994 178.8031 38 A 3.8988 8.1012 121.2438 54.8498 18.3583 179.6532 39 W 4.0334 7.9462 115.1065 59.3527 28.2808 178.8805 40 K 2.9194 7.0175 118.9875 58.9887 31.3236 179.4921 41 T 3.7655 7.7173 116.2641 66.6005 68.3154 176.8211 42 L 3.9423 8.0569 121.1445 57.4512 41.5976 179.5237 43 K 3.9580 8.0167 119.7761 59.7401 31.8897 179.0287 44 T 3.8034 7.8034 116.0120 66.5320 68.1284 176.3770 45 F 4.0544 8.1540 122.4510 61.4435 39.3909 177.2238 46 L 4.1778 8.3831 118.7278 57.7656 41.5432 179.1217 47 E 4.2874 8.1285 119.1393 57.8459 29.2622 178.6958 48 L 4.0941 7.4058 117.7847 56.4990 41.8934 177.5536 49 Q 4.1904 7.2841 116.1579 55.4891 29.1002 176.3143 50 G 3.8791 7.9868 106.0105 45.4370 0.0000 173.3428 51 L 4.7358 7.8944 119.0957 52.4952 43.9578 175.6623 52 E 4.3953 8.4970 120.2655 56.2055 30.6543 177.7913 53 A 4.7495 8.2182 124.5144 51.5557 19.6191 175.9718 54 R 4.6061 7.9385 116.9422 55.6012 31.2545 177.3381 55 S 4.0816 7.5752 112.2424 55.3611 66.6896 173.2202 56 P 3.7225 0.0000 0.0000 65.6580 30.8737 178.8908 57 R 3.7963 7.6609 116.4438 59.5517 30.0848 178.4249 58 A 3.9541 7.8289 119.6366 54.6656 18.2363 179.5986 59 A 3.9214 8.2990 120.0468 55.4066 18.6710 179.7773 60 I 3.0571 7.6977 118.4444 64.3317 37.1748 178.6217 61 R 3.9856 8.0756 119.6502 59.4254 29.9520 178.7449 62 G 3.6118 8.3734 105.6389 47.7695 0.0000 175.4373 63 A 3.9336 8.0720 123.5041 54.9231 18.1631 179.8224 64 F 4.8132 7.5454 117.3086 60.1507 38.7646 177.8491 65 Q 4.0213 8.0374 116.7223 59.3907 28.5400 178.4173 66 V 3.8241 7.6584 107.6208 61.8309 31.6227 177.5917 67 G 4.0042 7.9008 108.6038 45.0516 0.0000 174.4654 68 L 4.0118 8.0197 121.1245 57.6873 41.6671 176.7727 69 L 4.8461 7.6168 117.9439 51.9977 43.8953 174.4220 70 P 4.4376 0.0000 0.0000 61.8813 32.2547 175.6505 71 E 2.6497 8.4695 119.6768 56.8692 29.6319 176.9017 72 D 4.5225 7.1887 124.2225 51.0769 42.6208 173.8008 73 P 4.4985 0.0000 0.0000 65.7027 30.9644 177.8941 74 F 4.3165 9.0939 121.0519 60.8774 38.9438 176.9739 75 W 4.0238 8.1702 117.8752 59.6914 29.1458 178.0638 76 L 4.3607 8.0382 118.1818 57.1039 41.0182 178.8557 77 E 3.8741 7.6391 118.8316 56.4387 29.3211 178.7821 *79 L 3.7193 8.1240 121.9696 55.0100 44.0355 178.2872 80 E 3.9064 7.9657 118.7222 59.1607 29.3803 178.7134 81 L 3.9336 8.0546 119.3615 57.4412 41.3115 179.5650 82 R 3.9231 7.4939 117.6864 59.5121 30.2763 177.6310 83 N 4.3691 7.8536 115.9689 56.5054 38.4109 177.3914 84 L 4.0894 7.9482 120.5243 57.6420 41.4821 179.2579 85 T 3.3724 7.5172 108.7213 64.6698 68.4542 175.3843 86 N 4.5270 7.5126 116.3739 54.8328 38.8277 175.2220 87 H 3.9236 8.2976 118.5822 55.3994 29.0790 175.5707 88 T 3.8643 7.4940 106.9013 62.5490 67.9864 175.1118 89 Y 4.2911 6.8924 119.2521 58.4106 38.3536 175.0403 90 D 4.8269 7.4374 120.6982 52.5913 41.4733 176.1688 91 E 3.9992 8.7776 127.5523 59.3023 29.4964 179.1416 92 A 4.0126 8.4176 121.1088 54.9306 18.2945 179.4201 93 L 3.8976 8.2164 118.8328 58.0131 42.0372 178.9397 94 A 3.9638 7.8425 120.4036 55.2669 18.3658 179.3203 95 E 3.9269 8.0549 116.5601 59.4277 29.2753 179.7924 96 R 3.8908 7.6385 116.7808 59.3282 30.4972 178.7136 97 I 3.6942 7.9152 119.7602 64.6363 37.1536 177.7288 98 Y 3.9852 8.2978 120.2240 60.8029 38.3732 178.1599 99 A 3.9688 8.0174 120.2327 54.6132 18.7308 178.5843 100 E 4.1956 7.9044 115.8639 57.4440 29.8574 178.5721 101 L 3.7867 7.4218 120.0812 57.0278 41.4678 177.2857 102 P 4.1390 0.0000 0.0000 65.6232 31.1591 178.6620 103 K 3.7289 7.8438 116.3046 59.2485 31.9275 178.9682 104 A 3.8942 7.8517 121.0057 55.0990 18.2287 179.2039 105 L 4.1369 8.3174 119.1580 58.5848 42.0275 179.0287 106 E 3.9849 7.8185 118.2398 59.6411 29.3235 179.6746 107 R 3.9985 7.5875 118.0576 59.2285 30.0082 179.1358 108 F 4.7613 8.0039 117.6648 60.9033 38.8972 177.7814 109 Q 4.1483 8.6818 118.2139 58.7525 28.4286 178.4457 110 E 3.9559 8.5138 120.6042 59.1091 29.7515 178.2799 111 L 3.9780 8.4603 120.7884 58.3880 41.8890 178.7005 112 L 3.9625 7.7767 117.0720 58.1439 41.7379 179.0980 113 R 4.0434 7.7526 116.8991 59.8057 30.0941 178.3622 114 R 4.1335 8.2667 117.6838 58.7205 30.0171 178.1195 115 L 3.9430 8.3674 118.3960 56.3985 42.0711 176.8543 116 E 4.3480 7.6117 123.6107 57.0562 29.7677 174.8941 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 A 8.26 4.15 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 3 S 8.35 4.27 0.00 3.96 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 4 L 8.86 3.96 0.00 1.74 1.62 0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.90 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.12 3.87 0.00 1.95 2.07 0.00 3.24 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 7 A 7.73 4.18 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 8 V 7.91 3.52 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.99 0.00 0.00 9 E 8.32 3.95 0.00 2.20 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 2.35 2.41 0.00 10 R 8.23 3.99 0.00 2.35 2.20 0.00 3.39 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 11 L 8.07 3.97 0.00 1.77 1.93 0.99 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.54 3.90 0.00 1.89 2.06 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.50 7.81 13 A 8.37 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.00 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.79 4.33 0.00 1.80 1.69 0.89 0.68 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 16 E 7.66 4.35 0.00 2.11 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 2.31 2.35 0.00 17 R 6.87 4.45 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 18 P 0.00 4.27 0.00 2.06 2.03 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 19 K 8.54 4.17 0.00 1.79 1.70 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.22 0.96 7.81 20 D 8.20 4.52 0.00 2.91 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 21 E 8.47 3.63 0.00 1.80 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 1.62 1.47 0.00 22 F 8.22 4.28 0.00 3.29 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 23 I 8.02 3.86 1.90 0.00 0.00 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 1.73 1.19 1.03 0.00 0.00 24 R 8.12 3.56 0.00 1.43 1.85 0.00 2.90 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.00 25 D 7.98 4.46 0.00 2.81 2.74 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 26 S 8.48 4.19 0.00 4.14 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 0.00 27 A 8.33 4.19 1.59 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 28 I 7.81 3.76 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.98 0.00 0.00 29 Q 8.44 4.03 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 30 R 8.03 2.51 0.00 1.95 1.68 0.00 3.32 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 31 F 8.36 4.19 0.00 3.04 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 32 E 8.24 3.72 0.00 2.27 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 0.00 2.37 2.34 0.00 33 F 7.52 4.41 0.00 3.17 3.32 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 34 T 7.39 3.85 3.79 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 0.42 0.00 0.00 35 F 8.11 4.11 0.00 2.76 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 36 E 8.02 4.29 0.00 2.28 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 2.40 2.39 0.00 37 L 8.28 3.83 0.00 1.85 1.60 0.82 1.08 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 38 A 8.10 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.95 4.03 0.00 3.44 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 40 K 7.02 2.92 0.00 1.51 1.44 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.14 7.81 41 T 7.72 3.77 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 1.16 0.00 0.00 42 L 8.06 3.94 0.00 1.81 1.64 0.50 0.91 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 43 K 8.02 3.96 0.00 1.87 1.71 0.00 1.80 0.00 0.00 1.29 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 44 T 7.80 3.80 4.36 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 1.18 0.00 0.00 45 F 8.15 4.05 0.00 3.06 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 46 L 8.38 4.18 0.00 1.90 1.74 1.19 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.13 4.29 0.00 2.02 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 2.61 2.47 0.00 48 L 7.41 4.09 0.00 1.58 1.54 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.28 4.19 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 50 G 7.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.89 4.74 0.00 1.79 1.57 0.95 0.94 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 52 E 8.50 4.40 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 53 A 8.22 4.75 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 54 R 7.94 4.61 0.00 1.85 2.04 0.00 3.28 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 55 S 7.58 4.08 0.00 3.75 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 56 P 0.00 3.72 0.00 1.92 1.92 0.00 2.96 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 1.45 0.44 0.00 57 R 7.66 3.80 0.00 1.81 1.86 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 58 A 7.83 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.30 3.92 1.52 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 0.00 0.00 60 I 7.70 3.06 1.89 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.18 0.52 0.00 0.00 61 R 8.08 3.99 0.00 1.91 2.09 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 62 G 8.37 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 63 A 8.07 3.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.55 4.81 0.00 3.28 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 65 Q 8.04 4.02 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 66 V 7.66 3.82 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 0.73 0.00 0.00 1.15 0.00 0.00 67 G 7.90 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 68 L 8.02 4.01 0.00 1.52 1.78 0.45 0.22 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 69 L 7.62 4.85 0.00 1.70 1.68 -0.13 0.96 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 70 P 0.00 4.44 0.00 2.21 2.10 0.00 3.99 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 71 E 8.47 2.65 0.00 1.80 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 0.00 2.14 2.12 0.00 72 D 7.19 4.52 0.00 2.88 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 73 P 0.00 4.50 0.00 2.38 2.36 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 74 F 9.09 4.32 0.00 3.01 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.17 4.02 0.00 3.72 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.04 4.36 0.00 1.81 1.77 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.64 3.87 0.00 1.81 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 2.32 2.44 0.00 *79 L 8.12 3.72 0.00 1.87 1.94 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.97 3.91 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 2.27 2.34 0.00 81 L 8.05 3.93 0.00 1.56 1.44 0.55 0.94 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 82 R 7.49 3.92 0.00 0.97 1.66 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.22 0.00 83 N 7.85 4.37 0.00 2.92 2.82 0.00 0.00 7.09 6.22 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 84 L 7.95 4.09 0.00 1.83 1.66 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.52 3.37 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 86 N 7.51 4.53 0.00 2.55 2.78 0.00 0.00 6.81 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.30 3.92 0.00 2.87 2.76 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.49 3.86 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 1.19 0.00 0.00 89 Y 6.89 4.29 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.44 4.83 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.78 4.00 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 2.35 2.37 0.00 92 A 8.42 4.01 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 93 L 8.22 3.90 0.00 1.74 1.78 0.88 1.08 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 94 A 7.84 3.96 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 95 E 8.05 3.93 0.00 2.17 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 2.46 2.45 0.00 96 R 7.64 3.89 0.00 1.90 1.96 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 97 I 7.92 3.69 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.73 0.00 0.00 98 Y 8.30 3.99 0.00 2.99 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 99 A 8.02 3.97 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 0.00 100 E 7.90 4.20 0.00 1.99 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 2.42 2.43 0.00 101 L 7.42 3.79 0.00 1.45 1.57 0.95 0.28 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 0.00 102 P 0.00 4.14 0.00 2.01 1.99 0.00 3.49 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 103 K 7.84 3.73 0.00 1.63 1.08 0.00 0.74 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 1.22 7.81 104 A 7.85 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.32 4.14 0.00 1.79 1.93 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.82 3.98 0.00 2.16 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 0.00 2.31 2.32 0.00 107 R 7.59 4.00 0.00 1.22 1.10 0.00 3.08 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.64 0.00 108 F 8.00 4.76 0.00 3.37 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 0.00 109 Q 8.68 4.15 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 110 E 8.51 3.96 0.00 2.26 2.32 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 2.45 2.49 0.00 111 L 8.46 3.98 0.00 2.21 2.16 0.74 0.92 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 0.00 112 L 7.78 3.96 0.00 1.94 1.77 0.97 0.84 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 0.00 113 R 7.75 4.04 0.00 1.99 2.16 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 114 R 8.27 4.13 0.00 1.95 1.91 0.00 3.45 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 115 L 8.37 3.94 0.00 1.74 1.64 0.36 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.61 4.35 0.00 2.08 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 2.27 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.