NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4027 0.0000 0.0000 62.4341 32.7368 175.2230 8 E 4.5949 8.2288 118.8010 52.1576 32.9752 174.0389 9 T 4.1733 8.9509 109.9642 61.5675 71.8646 176.1734 10 L 4.0879 8.5191 121.9346 58.1143 41.5890 179.8754 11 E 3.9787 8.1815 117.7207 59.4990 29.6976 178.8006 12 A 4.0412 8.0738 120.7018 55.4060 18.2788 180.0001 13 R 3.9022 8.1572 116.3913 59.5004 30.2374 179.1445 14 I 3.3186 7.9840 118.4236 63.8842 37.6444 177.7056 15 N 4.2847 7.9799 116.8175 56.1465 38.3482 177.0948 16 R 3.9684 7.9485 119.7690 59.3823 30.0473 178.4691 17 A 4.1012 8.1466 119.6696 54.1475 18.3406 178.0313 18 T 4.1532 7.2849 105.5497 60.8057 69.7523 173.0291 19 N 4.2428 7.6739 120.9409 53.4653 39.0248 173.9873 20 P 4.5276 0.0000 0.0000 64.9088 31.4587 177.0006 21 L 4.3346 8.1734 118.3267 56.0260 42.0904 177.0179 22 N 4.4534 8.0416 116.8483 53.8012 38.8200 175.3303 23 K 4.1833 8.8085 122.6386 58.4972 32.6672 176.3549 24 E 4.8878 7.8466 114.1163 54.1141 32.6401 174.4717 25 L 3.7185 8.6566 118.8159 55.7171 41.9817 178.1298 26 D 4.6712 7.9085 122.2177 52.5553 40.6193 176.7450 27 W 4.2087 8.3073 125.7135 59.1921 29.4090 177.5942 28 A 4.1633 8.2020 120.3636 55.3573 17.8569 179.7865 29 S 4.1008 8.1399 113.7351 61.6699 62.8885 176.8460 30 I 3.6839 7.8735 122.5739 64.6215 36.8024 178.3384 31 N 4.5713 8.9978 117.7185 56.2644 38.1786 177.6165 32 G 3.7277 8.1434 106.2723 47.7695 0.0000 175.1523 33 F 4.2382 8.3804 122.6378 61.5115 39.5405 176.4908 34 C 3.9630 8.1094 115.6592 60.1701 39.7761 176.1267 35 E 3.8005 8.3687 119.1912 58.4399 29.0767 178.0579 36 Q 4.3157 7.3920 117.6738 56.2970 30.0370 176.6358 37 L 3.9995 7.1427 118.8917 58.1356 40.3709 177.7406 38 N 4.6800 7.7487 116.3183 53.5522 38.2752 176.0256 39 E 4.1261 8.2032 119.6038 58.7627 30.4668 175.3959 40 D 4.6860 7.4687 116.7064 52.2939 41.9167 175.1149 41 F 4.6039 8.7417 116.3722 59.8778 39.2501 176.4534 42 E 4.2589 8.2939 120.2918 57.7885 30.0142 179.0999 43 G 4.0646 8.2333 108.0305 46.8659 0.0000 173.8051 44 P 4.3695 0.0000 0.0000 64.6327 31.4237 176.8963 45 P 4.2178 0.0000 0.0000 65.6844 31.1078 177.9412 46 L 3.9228 8.0047 119.9607 58.0462 41.9510 178.8817 47 A 4.2500 8.3058 120.6960 55.6682 18.2796 179.7841 48 T 3.7942 7.9736 114.2657 66.6875 68.2927 177.3071 49 R 4.1125 8.0852 120.1987 59.0678 30.2407 179.0604 50 L 4.0548 8.3078 118.9384 57.7791 41.6119 179.2829 51 L 3.9975 8.4511 119.0914 58.0323 41.4446 179.3728 52 A 4.0475 8.2063 118.9810 55.5534 18.4794 178.9622 53 H 4.2707 8.1280 116.3981 59.3923 30.0243 177.4769 54 K 3.8122 7.8916 119.9431 59.7907 31.7136 179.4018 55 I 3.7587 7.8922 118.6740 63.9578 36.9721 177.4449 56 Q 4.3871 7.4174 116.5395 54.7799 29.0166 175.7673 57 S 4.2085 7.4741 116.1318 57.4194 62.8620 172.7836 58 P 4.2408 0.0000 0.0000 65.0321 31.5949 176.8197 59 Q 4.3577 8.1940 118.3754 54.2859 29.0779 175.7207 60 E 3.9539 8.7896 126.6963 59.3351 29.7620 178.5619 61 W 4.5903 8.2730 127.5613 60.2343 30.7483 177.4386 62 E 3.9008 8.4508 120.2435 58.6391 29.1599 178.5037 63 A 4.0851 7.8596 120.5688 55.1972 18.3904 179.7268 64 I 3.6693 8.1404 118.7787 64.6207 37.2199 178.7334 65 Q 3.5437 7.6322 118.6790 58.5973 28.3345 178.6477 66 A 3.8630 7.7473 121.8727 55.0708 18.3004 179.7048 67 L 4.0286 8.1067 117.6126 58.2297 41.6216 179.9054 68 T 3.9368 7.6375 115.4997 66.2279 68.2471 177.0883 69 V 3.5235 7.7365 120.3125 65.9086 31.6333 177.6586 70 L 4.2075 8.1213 120.1543 58.4623 41.9398 178.5925 71 E 4.3263 8.7359 119.3775 59.6705 29.5013 179.0173 72 T 4.0500 8.1723 115.8263 67.0450 68.5520 176.3115 73 C 4.2538 8.7755 118.8222 60.0891 39.8682 176.0901 74 M 4.2313 8.2936 119.8658 58.3281 31.5922 178.6127 75 K 4.2304 8.0062 117.6813 59.1942 32.3994 178.9000 76 S 4.5132 8.2609 112.3090 58.4111 63.7898 173.8460 77 C 4.6510 7.7282 119.9111 58.1314 30.9499 173.8799 78 G 4.1064 7.7948 110.1639 45.0678 0.0000 175.3962 79 K 3.8014 8.6515 119.5878 59.7840 32.2279 179.7014 80 R 3.7209 7.7487 117.8276 59.0389 29.9711 178.7523 81 F 4.0651 7.9639 120.0370 61.5045 39.5127 176.7024 82 H 3.8574 8.0279 115.8776 59.0611 28.2197 177.5189 83 D 4.2254 7.9147 119.8541 57.1605 40.9638 178.4028 84 E 3.9414 7.6103 119.3268 59.3039 29.2535 179.4900 85 V 3.1605 6.7987 117.1985 65.3535 31.4494 177.3690 86 G 3.7603 7.3311 104.0530 43.3828 0.0000 173.3998 87 K 4.3335 7.1185 120.4908 54.7168 33.8651 177.9843 88 F 4.4493 8.2015 120.3723 60.5795 38.5626 177.6730 89 R 4.0529 8.2176 117.5189 59.0145 29.8787 177.1359 90 F 4.5512 7.9124 118.7132 60.1426 40.2535 177.1971 91 L 3.9536 8.2406 118.9669 58.2845 41.4926 179.2395 92 N 4.2151 8.6343 116.3736 56.5997 38.1835 177.2690 93 E 3.8690 7.6756 119.1261 59.1111 29.3303 178.9890 94 L 4.0564 7.4381 118.7315 57.6270 41.8270 179.3428 95 I 3.7153 7.8852 119.9549 64.3129 36.9496 178.4174 96 K 3.6943 7.9434 119.3296 59.6045 31.6328 179.4996 97 V 3.5914 7.5593 117.7918 65.5488 31.2600 177.8443 98 V 3.9766 7.6249 109.3890 61.8360 32.4562 175.8136 99 S 4.5337 7.9226 116.3802 56.4890 62.9017 173.1981 100 P 4.2895 0.0000 0.0000 65.4261 31.2767 177.7905 101 K 4.0586 7.8328 117.4158 58.2364 33.7576 177.1700 102 Y 4.2580 8.0897 111.5937 58.2790 38.1282 176.2290 103 L 4.5448 6.4440 132.1735 55.2708 42.5472 178.5708 104 G 3.7620 8.4757 110.1947 48.9990 0.0000 176.5061 105 S 4.2209 8.1270 115.3418 60.4585 62.9992 174.9783 106 R 4.5254 7.6946 113.8700 55.8856 29.6972 175.6150 107 T 4.4892 7.2740 114.9642 62.2765 70.0461 175.5771 108 S 4.3419 8.3528 120.6460 58.0928 65.2786 174.9173 109 E 3.9276 8.8047 123.8056 59.3984 29.2808 179.2041 110 K 3.8652 7.9827 119.0591 59.4711 32.3765 178.6385 111 V 3.5787 7.4693 118.3090 66.0828 31.4949 178.0056 112 K 3.9398 8.0700 118.0489 59.6000 31.8650 178.9702 113 N 4.3105 8.6618 117.0065 56.3219 38.4089 177.3261 114 K 3.9222 8.1219 120.8817 59.4810 32.2434 178.9604 115 I 3.6446 7.7816 120.1301 64.3058 37.0726 178.3902 116 L 4.1017 7.9231 119.8646 57.7555 41.4729 179.1790 117 E 3.9585 8.3403 119.2757 59.2159 29.7115 178.7748 118 L 3.4152 7.8732 119.0965 57.6211 41.3711 179.5519 119 L 3.8222 7.3634 117.3480 57.6966 41.8335 178.5477 120 Y 3.4451 7.6689 119.5787 60.6420 38.6460 178.5808 121 S 3.8641 7.8112 114.7332 61.0347 62.8205 176.2885 122 W 4.4291 7.7652 122.3952 59.4099 28.6436 178.5835 123 T 3.8726 7.4887 109.2088 64.0716 68.2127 176.6121 124 V 3.7884 7.2921 120.1289 65.5063 32.0112 177.6914 125 G 3.8613 8.1371 103.7424 45.6219 0.0000 173.7731 126 L 5.1956 7.6729 119.8818 50.9908 41.7070 175.4454 127 P 4.3593 0.0000 0.0000 64.5583 32.0356 177.3898 128 E 4.3412 7.8569 116.4846 56.8581 30.6425 175.6804 129 E 4.3343 7.7411 119.0117 55.7689 28.5273 177.1887 130 V 3.8571 7.9636 118.0414 63.4938 31.8824 178.0959 131 K 3.9347 7.8113 118.2888 58.9909 31.9046 179.0315 132 I 3.7799 7.7075 119.6256 64.3464 36.9814 178.1214 133 A 4.0986 7.7208 120.1568 55.2004 18.2194 179.0898 134 E 3.9916 8.5305 117.3526 60.0495 29.7337 179.8443 135 A 4.1331 8.6523 120.6510 55.4106 18.4757 179.0829 136 Y 4.1709 8.3581 118.1917 60.8591 38.8265 177.8873 137 Q 3.9659 8.7062 121.0833 59.1959 29.1328 177.7194 138 M 4.0073 8.3406 119.5145 58.6618 32.2381 178.2793 139 L 4.0273 7.7793 119.0066 57.4380 41.6577 179.5590 140 K 4.0879 7.7047 119.8073 58.8493 31.8225 178.9327 141 K 3.7835 7.8074 118.4056 59.8024 32.1349 177.8357 142 Q 4.3162 8.3132 115.0183 55.6743 28.9323 176.9095 143 G 3.9315 8.0384 108.6880 45.7332 0.0000 175.0318 144 I 3.8023 7.7236 121.3774 63.6576 37.4786 176.3593 145 V 3.8317 7.4256 123.9194 62.8245 31.3807 175.1364 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 7 P 0.00 4.40 0.00 2.06 2.05 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 8 E 8.23 4.59 0.00 2.10 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 2.18 2.33 0.00 9 T 8.95 4.17 4.43 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 1.22 0.00 0.00 10 L 8.52 4.09 0.00 1.77 1.88 0.51 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.18 3.98 0.00 2.09 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 2.43 2.49 0.00 12 A 8.07 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.16 3.90 0.00 2.26 2.18 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 14 I 7.98 3.32 1.65 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 1.22 0.94 0.97 0.00 0.00 15 N 7.98 4.28 0.00 2.87 2.84 0.00 0.00 6.99 7.21 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 16 R 7.95 3.97 0.00 2.06 2.01 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 17 A 8.15 4.10 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 T 7.28 4.15 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 0.94 0.00 0.00 19 N 7.67 4.24 0.00 2.87 2.90 0.00 0.00 6.97 7.59 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 20 P 0.00 4.53 0.00 2.29 2.24 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 21 L 8.17 4.33 0.00 1.85 1.80 0.94 0.93 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 22 N 8.04 4.45 0.00 3.09 3.16 0.00 0.00 7.01 7.14 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 23 K 8.81 4.18 0.00 1.78 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.39 7.81 24 E 7.85 4.89 0.00 2.12 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 0.00 2.24 2.41 0.00 25 L 8.66 3.72 0.00 1.47 0.78 0.90 0.56 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 26 D 7.91 4.67 0.00 2.62 2.42 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 27 W 8.31 4.21 0.00 3.49 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 28 A 8.20 4.16 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 29 S 8.14 4.10 0.00 3.93 3.89 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 30 I 7.87 3.68 2.04 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.98 0.00 0.00 31 N 9.00 4.57 0.00 2.90 2.93 0.00 0.00 6.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.14 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 0.00 0.00 0.00 33 F 8.38 4.24 0.00 3.12 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 34 C 8.11 3.96 0.00 3.09 3.01 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 35 E 8.37 3.80 0.00 2.11 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 2.45 2.45 0.00 36 Q 7.39 4.32 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 37 L 7.14 4.00 0.00 1.67 1.24 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.75 4.68 0.00 2.68 2.88 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 39 E 8.20 4.13 0.00 2.04 2.27 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 2.24 2.28 0.00 40 D 7.47 4.69 0.00 2.88 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 41 F 8.74 4.60 0.00 2.91 3.10 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 0.00 42 E 8.29 4.26 0.00 2.20 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 2.34 2.34 0.00 43 G 8.23 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 0.00 0.00 0.00 0.00 44 P 0.00 4.37 0.00 2.12 2.19 0.00 3.79 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 45 P 0.00 4.22 0.00 2.27 2.44 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 46 L 8.00 3.92 0.00 1.92 1.97 0.97 1.06 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 47 A 8.31 4.25 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 48 T 7.97 3.79 4.40 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 1.28 0.00 0.00 49 R 8.09 4.11 0.00 2.21 2.04 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 50 L 8.31 4.05 0.00 2.02 1.79 1.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.45 4.00 0.00 2.11 1.98 1.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.21 4.05 1.50 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 53 H 8.13 4.27 0.00 3.18 3.49 0.00 5.61 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 54 K 7.89 3.81 0.00 1.91 1.76 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.67 1.53 7.81 55 I 7.89 3.76 1.89 0.00 0.00 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 1.56 0.59 0.91 0.00 0.00 56 Q 7.42 4.39 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 57 S 7.47 4.21 0.00 3.80 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 0.00 58 P 0.00 4.24 0.00 2.08 2.12 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 59 Q 8.19 4.36 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 60 E 8.79 3.95 0.00 2.08 2.04 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 0.00 2.48 2.43 0.00 61 W 8.27 4.59 0.00 3.29 3.05 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 62 E 8.45 3.90 0.00 2.02 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 2.26 0.00 63 A 7.86 4.09 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 64 I 8.14 3.67 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 1.12 0.00 0.00 65 Q 7.63 3.54 0.00 1.56 1.76 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 1.34 1.16 0.00 66 A 7.75 3.86 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 67 L 8.11 4.03 0.00 1.84 1.75 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.64 3.94 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 1.05 0.00 0.00 69 V 7.74 3.52 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 0.93 0.00 0.00 0.76 0.00 0.00 70 L 8.12 4.21 0.00 2.05 2.05 1.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.74 4.33 0.00 2.23 2.27 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 2.47 2.49 0.00 72 T 8.17 4.05 4.52 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 1.41 0.00 0.00 73 C 8.78 4.25 0.00 2.82 2.42 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 74 M 8.29 4.23 0.00 1.95 2.51 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.97 0.00 75 K 8.01 4.23 0.00 2.03 1.94 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.70 7.81 76 S 8.26 4.51 0.00 4.00 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 77 C 7.73 4.65 0.00 3.06 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 78 G 7.79 4.11 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 0.00 0.00 0.00 79 K 8.65 3.80 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 80 R 7.75 3.72 0.00 1.71 1.70 0.00 2.21 0.00 0.00 2.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 81 F 7.96 4.07 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.03 3.86 0.00 3.25 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.91 4.23 0.00 2.69 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 84 E 7.61 3.94 0.00 1.58 1.77 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 2.35 2.42 0.00 85 V 6.80 3.16 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 0.25 0.00 0.00 -0.36 0.00 0.00 86 G 7.33 3.76 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 0.00 0.00 0.00 87 K 7.12 4.33 0.00 2.01 1.70 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.44 7.81 88 F 8.20 4.45 0.00 3.10 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 89 R 8.22 4.05 0.00 1.85 2.05 0.00 3.25 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 90 F 7.91 4.55 0.00 3.15 3.19 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 91 L 8.24 3.95 0.00 2.05 1.93 1.18 0.54 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 92 N 8.63 4.22 0.00 2.76 2.78 0.00 0.00 7.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.68 3.87 0.00 1.71 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 2.38 2.43 0.00 94 L 7.44 4.06 0.00 1.77 1.69 1.11 0.87 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 95 I 7.89 3.72 1.90 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 1.54 1.16 0.86 0.00 0.00 96 K 7.94 3.69 0.00 1.80 1.77 0.00 1.46 0.00 0.00 1.40 0.00 0.00 2.59 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.38 0.96 7.81 97 V 7.56 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 98 V 7.62 3.98 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 1.01 0.00 0.00 99 S 7.92 4.53 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 0.00 100 P 0.00 4.29 0.00 2.20 2.17 0.00 3.85 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 1.98 1.99 0.00 101 K 7.83 4.06 0.00 1.62 1.35 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.35 7.81 102 Y 8.09 4.26 0.00 3.13 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 0.00 103 L 6.44 4.54 0.00 1.79 1.71 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.48 3.76 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 0.00 0.00 0.00 105 S 8.13 4.22 0.00 3.87 3.94 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 0.00 106 R 7.69 4.53 0.00 1.85 2.00 0.00 3.06 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 107 T 7.27 4.49 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 1.22 0.00 0.00 108 S 8.35 4.34 0.00 4.06 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 0.00 109 E 8.80 3.93 0.00 2.10 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 2.38 2.44 0.00 110 K 7.98 3.87 0.00 1.88 1.95 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.53 7.81 111 V 7.47 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 112 K 8.07 3.94 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.62 7.81 113 N 8.66 4.31 0.00 2.94 2.87 0.00 0.00 6.68 7.83 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 0.00 114 K 8.12 3.92 0.00 1.97 1.98 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 115 I 7.78 3.64 2.01 0.00 0.00 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 1.53 0.74 0.92 0.00 0.00 116 L 7.92 4.10 0.00 1.75 1.83 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.34 3.96 0.00 2.11 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 2.38 0.00 118 L 7.87 3.42 0.00 1.42 0.37 0.87 0.65 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 0.00 119 L 7.36 3.82 0.00 1.84 1.80 1.07 0.98 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 0.00 120 Y 7.67 3.45 0.00 2.85 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 0.00 121 S 7.81 3.86 0.00 4.01 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 0.00 122 W 7.77 4.43 0.00 3.57 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 0.00 123 T 7.49 3.87 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 1.18 0.00 0.00 124 V 7.29 3.79 1.88 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 0.77 0.00 0.00 0.39 0.00 0.00 125 G 8.14 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 0.00 0.00 0.00 126 L 7.67 5.20 0.00 1.74 1.45 0.43 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.36 0.00 2.02 2.10 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 128 E 7.86 4.34 0.00 2.01 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 2.22 2.27 0.00 129 E 7.74 4.33 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 130 V 7.96 3.86 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 0.84 0.00 0.00 0.90 0.00 0.00 131 K 7.81 3.93 0.00 1.58 0.90 0.00 1.37 0.00 0.00 0.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.94 1.26 7.81 132 I 7.71 3.78 2.06 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.74 1.11 0.00 0.00 133 A 7.72 4.10 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 0.00 134 E 8.53 3.99 0.00 2.44 2.38 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 2.47 2.49 0.00 135 A 8.65 4.13 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 0.00 136 Y 8.36 4.17 0.00 3.24 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 0.00 137 Q 8.71 3.97 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 138 M 8.34 4.01 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.72 0.00 139 L 7.78 4.03 0.00 1.79 1.60 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.70 4.09 0.00 1.84 1.75 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.05 7.81 141 K 7.81 3.78 0.00 1.82 2.06 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 142 Q 8.31 4.32 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.63 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 143 G 8.04 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 0.00 144 I 7.72 3.80 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.90 0.00 0.00 145 V 7.43 3.83 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 0.74 0.00 0.00 0.82 0.00 0.00