NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7377 8.3249 122.8198 57.2597 41.3037 174.7277 3 L 4.4406 7.6118 118.0836 50.8912 44.3290 174.7471 4 T 4.2670 9.8050 115.0068 60.6621 72.2062 175.4765 5 A 3.9074 8.2805 121.8142 55.2613 18.3599 179.1462 6 E 3.8209 8.1086 117.2676 59.5059 29.6755 178.5865 7 E 3.8436 8.0311 118.3732 59.5059 29.4880 179.3860 8 K 3.9443 8.2657 118.6940 59.6517 32.0475 179.6270 9 G 3.5512 8.1357 105.7776 47.5982 0.0000 175.9130 10 L 3.9482 8.0072 121.4038 57.4557 41.7653 179.6776 11 V 2.6198 7.8765 118.4745 65.9705 31.6046 177.9320 12 N 4.5993 8.4463 116.5653 55.9875 38.1394 177.3961 13 G 3.8444 7.9574 106.6423 48.1842 0.0000 175.1041 14 L 3.9936 7.9032 123.0271 57.2536 41.6529 178.8233 15 W 4.4194 8.6503 128.2341 60.1993 30.4538 177.7529 16 G 3.8573 8.1803 103.9390 46.2243 0.0000 173.9540 17 K 4.5144 7.7778 118.6609 56.1269 33.6673 176.8944 18 V 3.6773 7.1160 118.7648 62.3746 32.0146 174.8676 19 N 4.4567 8.4974 125.6611 53.2207 39.0679 176.0314 20 V 3.6276 8.2040 119.8033 64.0996 32.0439 177.4795 21 D 4.5348 8.0107 118.7858 56.0621 40.9699 176.9197 22 E 4.5412 7.8350 114.4203 55.6791 31.8285 177.8162 23 V 3.6631 7.8841 119.5476 66.0927 31.3452 178.1678 24 G 3.7160 8.0444 104.9046 47.7683 0.0000 175.7638 25 G 3.6312 7.8744 107.5189 47.4392 0.0000 175.6476 26 E 3.9564 8.4746 120.9832 59.0993 29.3544 179.2674 27 A 3.9443 7.9937 120.9791 54.9863 18.4927 179.4761 28 L 3.9926 8.0468 119.0542 57.9274 42.2426 179.2539 29 G 3.6379 7.9803 105.2661 47.2893 0.0000 176.1300 30 R 3.9114 7.8981 120.2520 58.7564 30.0645 178.3469 31 L 4.0861 8.0930 120.5211 58.6523 42.0053 179.2533 32 L 4.0593 7.6492 117.8863 57.1612 41.3155 179.6967 33 V 3.5185 7.2914 117.5228 66.0056 31.6917 178.0890 34 V 3.5307 7.8925 116.8358 64.4182 32.7713 175.5931 35 Y 4.3211 7.3081 115.6417 54.6654 37.8260 174.3101 36 P 4.8416 0.0000 0.0000 64.0508 31.8907 177.8374 37 W 4.4491 8.1890 115.5744 59.1313 28.4136 177.8809 38 T 4.3531 7.7818 110.7639 63.9205 68.3000 176.1304 39 Q 4.3390 8.1485 121.2776 58.3430 28.4750 178.1163 40 R 3.9048 7.6933 118.5972 59.1178 30.1262 178.0831 41 F 4.3272 7.8735 114.6874 58.0171 39.7338 175.5205 42 F 4.6538 7.9134 118.1574 56.8782 39.8546 176.9300 43 E 4.1083 8.2319 122.1015 59.2702 29.7924 179.2232 44 S 4.4436 8.0385 110.6933 59.3530 63.3994 174.8279 45 F 4.6822 8.0941 120.5452 59.5335 40.0462 175.4087 46 G 4.0773 7.2313 104.8657 44.0617 0.0000 176.7946 47 D 4.5328 8.8294 124.5562 54.6098 39.3206 175.4324 48 L 4.7768 8.1159 127.8856 54.3112 42.5413 178.0744 49 S 4.4025 7.6946 115.9960 59.7366 62.9871 174.1798 50 S 4.7986 7.5831 113.1709 55.3458 67.2845 174.3410 51 A 3.9912 8.5010 123.2389 55.7073 17.8227 179.6657 52 D 4.2695 8.0488 116.4604 56.9977 40.7846 178.6868 53 A 4.0107 7.7505 120.6623 55.3176 18.3347 179.2895 54 I 3.8039 8.0854 118.6261 64.9726 37.0262 178.5201 55 M 4.2225 8.2964 118.0140 56.8748 31.8912 177.7214 56 S 4.7565 7.3453 112.5802 56.8755 64.0385 173.9537 57 N 4.4026 7.5269 122.0712 53.3814 39.5261 174.8656 58 A 3.9386 8.6675 130.3350 55.5183 18.4592 179.3927 59 K 3.6302 7.9108 116.2689 59.1542 32.0089 179.6764 60 V 3.6650 8.1380 118.8337 65.8617 31.4455 178.2609 61 K 3.9102 7.9811 118.0112 59.3006 31.8650 179.2279 62 A 3.9147 7.9817 120.9165 55.3675 18.3891 178.9459 63 H 4.2495 8.4706 117.2501 59.5438 29.9781 177.2119 64 G 3.8597 8.3958 107.8469 47.9160 0.0000 175.0251 65 K 3.8435 8.1305 122.1161 59.4273 31.9219 178.8249 66 K 3.9999 7.8971 118.0349 59.4675 31.9956 179.5690 67 V 3.7373 7.9363 118.5507 65.9228 31.4884 177.9270 68 L 4.3269 8.1160 120.1685 58.3194 41.9354 178.3028 69 N 4.4559 8.5128 116.8474 56.8072 38.5713 177.4650 70 S 4.3849 7.9976 116.3840 60.8591 63.0750 176.4702 71 F 4.1687 8.4938 121.3366 60.6919 38.5714 177.8112 72 S 4.2545 8.7890 114.8366 61.4547 62.4317 176.3635 73 D 4.4178 8.4659 121.9971 57.5096 40.5609 179.2638 74 G 3.6733 8.1201 105.8526 47.4954 0.0000 175.8095 75 L 4.0336 7.5708 120.7157 57.6705 41.6804 179.2477 76 K 4.1460 8.1884 117.6109 58.4514 32.8431 177.8659 77 N 5.1733 7.9252 116.8945 52.1935 39.0386 176.7395 78 I 3.8400 8.1587 112.6272 63.1119 38.0318 177.0453 79 D 4.5119 8.1057 119.9607 55.6827 39.7550 175.8930 80 D 4.6930 7.8974 118.8289 51.1323 41.3691 175.2809 81 L 4.0796 7.8741 123.7088 56.8948 41.7610 178.4375 82 K 3.9902 8.0347 117.5341 59.5056 32.2075 178.7726 83 G 3.8279 8.0482 105.1439 48.0881 0.0000 175.5183 84 A 3.9146 7.6435 121.6512 53.5613 18.4267 178.1876 85 F 4.6015 7.9976 114.1626 57.3344 39.9318 177.4368 86 A 4.0233 7.9544 125.3434 55.4852 18.2683 180.8391 87 K 4.2532 7.8417 117.7927 58.9300 32.1732 179.5757 88 L 4.0560 7.8674 118.9923 57.7051 41.7602 179.0555 89 S 4.5162 8.3770 114.8176 61.0707 62.4351 176.2670 90 E 3.8981 8.0672 120.6521 59.0465 29.1503 179.0897 91 L 3.9961 7.8237 120.2136 58.5973 42.1881 178.8531 92 H 4.2830 8.3005 116.0188 59.2327 28.5170 176.0314 93 C 3.8372 7.9226 121.4381 61.3714 30.7689 174.8039 94 D 4.3340 8.5291 125.8007 56.1573 40.9812 177.4960 95 K 4.2552 7.6732 117.3602 57.7202 33.9099 177.2313 96 L 4.3486 7.7818 115.7060 53.9619 42.7576 175.9818 97 H 4.2122 7.5699 115.3899 56.6521 26.8383 174.9004 98 V 4.0545 7.8903 117.5594 61.1857 32.8621 174.6137 99 D 4.2752 8.5513 126.5512 53.4287 41.3299 174.8201 100 P 2.0000 0.0000 0.0000 64.5913 31.4814 178.3124 101 E 3.8451 7.5208 117.2159 59.5325 29.6182 178.8660 102 N 4.4718 8.2221 115.9573 55.4979 38.5400 177.2958 103 F 4.5396 7.7164 120.2684 60.5761 38.8991 177.6361 104 R 4.0949 8.0643 115.0529 59.0406 29.3069 178.7523 105 L 3.9361 7.7733 119.6864 57.2773 41.4568 179.0508 106 L 4.1470 7.9667 120.1924 57.7667 42.2399 178.7057 107 G 3.8308 8.0726 105.4489 48.1357 0.0000 175.2039 108 N 4.3480 8.6157 119.6258 55.9994 38.5335 177.4022 109 V 3.5876 7.8560 119.3899 66.4134 31.4899 177.9547 110 L 3.8265 8.0154 119.7247 58.0755 41.8393 179.1156 111 V 3.4746 7.7996 118.2289 66.0893 31.3208 177.8496 112 C 4.0732 8.0494 116.7153 62.5633 27.8971 176.2091 113 V 3.4333 7.3562 119.9330 65.6685 31.0272 178.1561 114 L 3.7788 7.5896 118.5311 57.5198 41.4052 178.9332 115 A 3.7239 7.2667 120.8734 55.6592 18.0476 178.9654 116 H 3.9559 8.1191 115.2067 59.8591 29.9072 176.7979 117 H 4.1643 7.9570 116.6754 58.1821 28.9342 176.9432 118 F 4.7597 8.3113 117.3507 55.0511 39.6084 178.4293 119 G 3.9839 8.7085 109.0863 46.6113 0.0000 177.0581 120 H 4.3320 9.2534 124.4394 58.5896 29.8648 175.5585 121 D 4.4812 8.3897 119.0239 56.9612 41.2353 177.0470 122 F 4.5086 8.0185 123.2190 57.1232 37.7655 174.5604 123 N 4.6387 7.4714 122.7566 51.5567 40.1503 174.1313 124 P 4.2559 0.0000 0.0000 65.8547 30.7395 179.0183 125 Q 3.9527 7.9980 116.3836 58.5410 28.6983 178.3067 126 V 3.4884 7.8319 119.3044 66.1004 31.7004 177.7490 127 Q 3.5742 7.9327 119.3059 59.1643 28.8940 178.3081 128 A 4.0593 7.8385 120.8645 54.5858 18.3289 179.5999 129 A 3.9619 7.6102 118.8704 55.3602 18.5813 179.8606 130 F 4.2590 7.9209 115.8198 60.5013 38.9238 177.8864 131 Q 4.1584 8.2042 117.8380 58.6573 28.5934 178.4722 132 K 4.0750 7.7861 118.3622 59.2639 32.0387 179.5681 133 V 3.6974 8.0506 118.5022 66.3772 31.5363 178.6798 134 V 4.0067 8.3560 112.0949 64.2083 31.2954 178.3130 135 A 4.2276 8.2709 120.5849 54.3914 18.4111 179.9498 136 G 3.3107 8.1661 104.6919 47.7688 0.0000 176.1804 137 V 2.9037 8.0536 121.0238 65.3108 31.3671 177.7492 138 A 3.8466 7.8764 120.5375 55.3839 17.9984 179.1883 139 N 4.2506 8.0503 113.2912 56.6168 38.7957 177.2091 140 A 4.1049 7.9388 121.9969 54.9979 18.3582 179.3593 141 L 3.9153 8.0180 118.3488 57.1910 41.5500 178.0523 142 A 4.6547 7.7611 119.3585 53.4441 18.9762 178.3739 143 H 4.4101 8.0142 116.3673 57.9908 29.9070 175.8130 144 K 4.5241 7.9176 118.4349 56.1287 32.2695 175.8164 145 Y 4.1714 7.7697 116.8284 58.3219 38.4232 175.6527 146 H 4.4459 8.3669 117.8254 56.1539 28.2895 173.2663 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 F 8.32 4.74 0.00 2.99 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 3 L 7.61 4.44 0.00 1.71 1.48 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.80 4.27 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 5 A 8.28 3.91 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 6 E 8.11 3.82 0.00 2.01 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 2.33 2.38 0.00 7 E 8.03 3.84 0.00 2.21 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 2.23 2.27 0.00 8 K 8.27 3.94 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.62 7.81 9 G 8.14 3.55 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 0.00 0.00 0.00 10 L 8.01 3.95 0.00 1.71 1.64 0.85 0.63 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 11 V 7.88 2.62 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 0.69 0.00 0.00 0.42 0.00 0.00 12 N 8.45 4.60 0.00 2.89 2.91 0.00 0.00 6.98 8.39 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 13 G 7.96 3.84 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 0.00 0.00 0.00 14 L 7.90 3.99 0.00 2.07 2.11 0.66 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.65 4.42 0.00 3.85 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 16 G 8.18 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 17 K 7.78 4.51 0.00 1.97 2.08 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 18 V 7.12 3.68 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 0.18 0.00 0.00 0.78 0.00 0.00 19 N 8.50 4.46 0.00 2.77 2.60 0.00 0.00 7.24 7.71 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 20 V 8.20 3.63 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 0.61 0.00 0.00 0.89 0.00 0.00 21 D 8.01 4.53 0.00 2.63 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 22 E 7.83 4.54 0.00 2.03 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 2.19 2.19 0.00 23 V 7.88 3.66 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 0.81 0.00 0.00 0.78 0.00 0.00 24 G 8.04 3.72 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 0.00 0.00 0.00 25 G 7.87 3.63 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 0.00 0.00 0.00 26 E 8.47 3.96 0.00 2.16 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 2.26 2.27 0.00 27 A 7.99 3.94 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 28 L 8.05 3.99 0.00 1.78 1.64 0.76 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.98 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.90 3.91 0.00 2.06 1.93 0.00 3.07 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 31 L 8.09 4.09 0.00 1.88 1.93 0.92 0.88 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 32 L 7.65 4.06 0.00 1.82 1.66 0.80 0.98 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 33 V 7.29 3.52 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 0.73 0.00 0.00 1.01 0.00 0.00 34 V 7.89 3.53 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 0.10 0.00 0.00 0.77 0.00 0.00 35 Y 7.31 4.32 0.00 2.55 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 36 P 0.00 4.84 0.00 2.28 2.15 0.00 4.10 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 2.19 2.17 0.00 37 W 8.19 4.45 0.00 3.59 3.55 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 38 T 7.78 4.35 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 0.83 0.00 0.00 39 Q 8.15 4.34 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 40 R 7.69 3.90 0.00 1.84 1.59 0.00 2.97 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 41 F 7.87 4.33 0.00 2.94 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 42 F 7.91 4.65 0.00 2.87 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.23 4.11 0.00 2.00 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 2.54 2.23 0.00 44 S 8.04 4.44 0.00 4.09 4.07 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 0.00 0.00 0.00 0.00 45 F 8.09 4.68 0.00 3.14 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 46 G 7.23 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 0.00 0.00 0.00 47 D 8.83 4.53 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.12 4.78 0.00 1.69 1.68 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.69 4.40 0.00 3.70 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.58 4.80 0.00 4.02 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.50 3.99 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 52 D 8.05 4.27 0.00 2.69 2.71 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 0.00 0.00 0.00 53 A 7.75 4.01 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 0.00 0.00 0.00 0.00 0.00 54 I 8.09 3.80 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 0.94 0.00 0.00 55 M 8.30 4.22 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.82 0.00 56 S 7.35 4.76 0.00 3.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.53 4.40 0.00 2.98 2.87 0.00 0.00 7.03 8.28 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 58 A 8.67 3.94 1.27 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 0.00 0.00 0.00 59 K 7.91 3.63 0.00 1.60 0.74 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.31 7.81 60 V 8.14 3.67 2.22 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 1.08 0.00 0.00 1.13 0.00 0.00 61 K 7.98 3.91 0.00 1.98 1.80 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 62 A 7.98 3.91 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 63 H 8.47 4.25 0.00 3.44 3.61 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.40 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 65 K 8.13 3.84 0.00 1.93 2.06 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 66 K 7.90 4.00 0.00 2.08 1.92 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.49 7.81 67 V 7.94 3.74 2.34 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 1.29 0.00 0.00 0.91 0.00 0.00 68 L 8.12 4.33 0.00 2.05 1.86 1.01 0.55 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 69 N 8.51 4.46 0.00 3.05 2.95 0.00 0.00 6.80 7.19 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 70 S 8.00 4.38 0.00 4.05 4.14 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 71 F 8.49 4.17 0.00 3.55 3.04 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 0.00 0.00 0.00 72 S 8.79 4.25 0.00 4.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.47 4.42 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.12 3.67 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 0.00 0.00 0.00 75 L 7.57 4.03 0.00 1.64 1.67 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.19 4.15 0.00 1.85 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.65 7.81 77 N 7.93 5.17 0.00 2.81 2.70 0.00 0.00 6.77 7.33 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 78 I 8.16 3.84 1.94 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 1.16 0.95 0.91 0.00 0.00 79 D 8.11 4.51 0.00 2.79 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 80 D 7.90 4.69 0.00 2.72 2.48 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 81 L 7.87 4.08 0.00 1.51 1.63 0.27 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.03 3.99 0.00 1.84 1.84 0.00 1.65 0.00 0.00 1.32 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.42 7.81 83 G 8.05 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 84 A 7.64 3.91 1.11 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 85 F 8.00 4.60 0.00 3.11 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 86 A 7.95 4.02 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 87 K 7.84 4.25 0.00 1.78 1.85 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.37 7.81 88 L 7.87 4.06 0.00 1.83 1.84 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.38 4.52 0.00 4.20 4.13 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 90 E 8.07 3.90 0.00 2.17 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 2.30 2.48 0.00 91 L 7.82 4.00 0.00 1.84 1.88 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.30 4.28 0.00 3.49 3.65 0.00 5.86 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 93 C 7.92 3.84 0.00 1.63 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.53 4.33 0.00 2.63 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 95 K 7.67 4.26 0.00 1.66 1.98 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.45 7.81 96 L 7.78 4.35 0.00 1.60 1.64 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.57 4.21 0.00 3.38 3.43 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.89 4.05 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 0.56 0.00 0.00 0.48 0.00 0.00 99 D 8.55 4.28 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 0.00 1.66 1.48 0.00 3.14 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.00 101 E 7.52 3.85 0.00 1.77 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 2.34 2.37 0.00 102 N 8.22 4.47 0.00 2.70 2.85 0.00 0.00 6.95 8.23 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 0.00 103 F 7.72 4.54 0.00 3.02 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 0.00 104 R 8.06 4.09 0.00 2.08 2.23 0.00 2.98 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 105 L 7.77 3.94 0.00 1.58 1.11 0.49 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.97 4.15 0.00 1.84 1.92 0.98 1.18 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 0.00 107 G 8.07 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 0.00 108 N 8.62 4.35 0.00 2.85 2.96 0.00 0.00 6.68 7.23 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 0.00 109 V 7.86 3.59 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.15 0.00 0.00 110 L 8.02 3.83 0.00 1.72 1.82 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.80 3.47 2.28 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 1.29 0.00 0.00 1.10 0.00 0.00 112 C 8.05 4.07 0.00 3.20 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 0.00 113 V 7.36 3.43 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 0.70 0.00 0.00 0.87 0.00 0.00 114 L 7.59 3.78 0.00 0.90 1.15 0.42 0.62 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 0.00 115 A 7.27 3.72 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 0.00 116 H 8.12 3.96 0.00 3.18 3.48 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.96 4.16 0.00 2.47 2.55 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.31 4.76 0.00 3.28 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 0.00 119 G 8.71 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 0.00 120 H 9.25 4.33 0.00 3.13 3.42 0.00 5.93 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.39 4.48 0.00 3.05 2.80 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 0.00 122 F 8.02 4.51 0.00 3.12 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 0.00 123 N 7.47 4.64 0.00 2.96 2.84 0.00 0.00 6.10 7.76 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 0.00 124 P 0.00 4.26 0.00 2.14 2.13 0.00 3.54 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 2.10 2.17 0.00 125 Q 8.00 3.95 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 126 V 7.83 3.49 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 0.93 0.00 0.00 0.92 0.00 0.00 127 Q 7.93 3.57 0.00 1.46 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 128 A 7.84 4.06 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 0.00 129 A 7.61 3.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.92 4.26 0.00 3.36 3.24 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 0.00 131 Q 8.20 4.16 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 132 K 7.79 4.08 0.00 1.94 1.78 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.39 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.28 1.37 7.81 133 V 8.05 3.70 2.33 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 1.02 0.00 0.00 0.95 0.00 0.00 134 V 8.36 4.01 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 0.95 0.00 0.00 1.14 0.00 0.00 135 A 8.27 4.23 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 0.00 136 G 8.17 3.31 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 0.00 137 V 8.05 2.90 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 -0.31 0.00 0.00 0.57 0.00 0.00 138 A 7.88 3.85 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 0.00 139 N 8.05 4.25 0.00 2.89 2.88 0.00 0.00 7.08 7.29 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 0.00 140 A 7.94 4.10 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 0.00 141 L 8.02 3.92 0.00 1.27 0.95 0.74 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.76 4.65 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 0.00 143 H 8.01 4.41 0.00 3.27 3.53 0.00 5.73 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.92 4.52 0.00 1.81 1.78 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.44 7.81 145 Y 7.77 4.17 0.00 3.10 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 0.00 146 H 8.37 4.45 0.00 3.21 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00