NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3935 8.3044 120.3494 54.9012 33.4303 174.9672 2 I 3.7036 8.2843 125.9791 60.8413 38.9410 173.3463 3 Q 4.8878 8.3360 124.6063 54.1574 33.6364 173.8627 4 S 5.1435 8.5405 115.7582 56.8891 66.3341 173.1956 5 Q 4.7677 8.9643 120.9667 54.7857 30.0790 175.7617 6 I 4.3669 8.4309 112.3581 60.2471 39.2132 174.8266 7 N 4.8732 7.8309 120.0579 50.9313 40.8620 174.6880 8 R 3.9471 8.6595 123.7048 59.3981 29.2871 178.3744 9 N 4.3190 8.6896 117.4500 55.9464 38.4469 177.3557 10 I 3.6842 7.4493 121.3758 64.6370 37.1921 178.7362 11 R 4.0019 7.8955 118.2507 59.0575 30.0808 178.9864 12 L 4.0050 8.2459 119.2638 57.6246 41.6744 179.1723 13 D 4.3503 8.5033 119.4556 57.2080 40.7523 178.4093 14 L 3.9219 7.8858 120.4883 58.1224 41.9796 178.6537 15 A 4.1311 8.2609 120.8966 55.5879 18.2968 179.3877 16 D 4.2968 8.0760 116.5472 57.3669 40.8966 178.8938 17 A 4.0007 7.9437 121.0231 55.1851 18.3251 179.6244 18 I 3.6598 8.1669 118.7225 64.7218 37.2476 178.7034 19 L 3.9914 8.3084 120.0279 57.4895 41.2858 179.4255 20 L 3.9206 8.0409 120.3915 58.1668 42.0353 178.9046 21 S 4.0349 8.0703 113.0704 61.2215 62.3019 175.8250 22 K 3.7436 8.3250 122.4003 59.5590 31.8564 178.5661 23 A 3.9268 8.0005 120.7602 55.1581 18.1121 179.6961 24 K 3.9114 8.1027 116.1313 59.3024 32.2374 178.8805 25 K 4.1722 8.1254 115.8517 55.4910 32.9398 175.9333 26 D 4.2768 7.6521 118.1600 55.0703 40.0814 172.9778 27 L 4.7090 7.7583 116.8091 53.6179 43.8579 177.2803 28 S 4.6778 8.3790 115.5500 56.6721 66.5761 175.4067 29 F 4.2398 8.4015 121.2623 60.5741 38.6586 177.7234 30 A 4.0412 8.1225 119.9835 55.3634 18.0400 179.3876 31 E 3.9382 8.0904 115.5722 59.6992 29.6234 179.3658 32 I 3.8368 7.5966 118.4901 64.2960 37.4707 177.9879 33 A 4.2789 8.1568 121.3035 53.1638 18.3394 177.1244 34 D 4.5120 7.2887 117.2102 56.0704 41.5071 176.5527 35 G 4.0603 9.0727 115.4423 45.5490 0.0000 174.2220 36 T 3.9969 7.7287 108.8940 62.2991 69.1869 176.2938 37 G 3.9337 8.2613 108.6995 45.3963 0.0000 172.9503 38 L 4.6310 7.4847 118.9657 52.3060 44.0741 176.9593 39 A 4.1616 8.2723 123.4356 52.0104 20.2853 178.3267 40 E 3.8852 8.9409 122.6955 59.7096 29.6518 179.5464 41 A 3.9277 7.9661 120.0644 54.8588 18.4904 179.3440 42 F 3.9240 8.1415 118.8294 61.4249 39.6378 177.5299 43 V 3.6564 8.1851 118.0763 66.2352 31.3003 177.9992 44 T 3.7575 8.1229 115.3891 66.6137 68.3018 176.1701 45 A 3.8109 7.8009 122.2902 55.1077 18.2629 179.4665 46 A 4.2465 7.5958 120.2244 54.8664 18.2610 179.6729 47 L 3.9865 7.7724 116.0790 57.8985 41.7367 178.9037 48 L 4.5031 7.6724 116.3034 54.4730 41.6225 177.6288 49 G 3.8873 8.0122 106.4285 45.9715 0.0000 174.6265 50 Q 4.4971 8.3943 116.5980 55.5043 30.1146 175.2506 51 Q 4.4019 7.3715 115.7824 54.2058 32.9556 172.8242 52 A 4.9463 8.2786 121.0332 50.7419 20.7563 176.6304 53 L 4.6935 8.6678 121.8844 52.9025 43.7688 175.0582 54 P 4.6157 0.0000 0.0000 62.4204 32.5365 177.1916 55 A 3.9801 8.9472 123.3878 55.9616 18.2297 180.0180 56 D 4.2884 8.1241 116.3184 57.3405 40.8866 178.8429 57 A 4.0027 7.9917 120.7088 54.9563 18.5397 179.1668 58 A 3.9674 8.4018 119.7743 55.6223 18.4648 180.1344 59 R 3.8959 8.2269 116.5590 59.1031 30.1104 179.1151 60 L 3.9275 8.0396 120.0915 58.4541 42.2044 179.5951 61 V 3.8074 8.0855 112.5062 64.0485 31.4180 178.7725 62 G 3.6466 8.2641 105.5324 47.8042 0.0000 175.6334 63 A 4.0001 8.0475 123.3825 54.8493 18.2267 179.8648 64 K 3.9724 7.9961 115.7729 58.7272 32.1586 178.5115 65 L 4.5040 7.6588 115.9585 53.1509 42.7940 175.8363 66 D 4.3832 7.6513 117.3631 55.2705 38.7961 173.9126 67 L 4.3476 8.1611 117.8184 54.0646 43.1264 177.7366 68 D 4.7304 8.2287 121.4447 52.6123 42.0441 177.3627 69 E 3.9889 8.5327 118.5677 59.6506 29.3016 179.3101 70 D 4.3542 8.0552 118.4820 57.4256 40.9049 178.9022 71 S 4.1187 8.6759 115.9540 61.6393 62.6270 176.7137 72 I 3.7184 7.5669 121.4395 64.3122 37.1600 177.9527 73 L 4.2573 8.2154 121.3455 58.1198 41.9450 178.9772 74 L 4.0172 8.2679 119.3067 57.7919 41.4749 179.4529 75 L 4.0780 8.0525 118.6842 57.3316 41.2937 178.7432 76 Q 4.6799 7.5754 117.2846 55.6157 29.3858 175.9747 77 M 4.5209 7.2737 120.1520 54.8755 33.1973 176.3653 78 I 4.0344 8.8082 124.3978 60.7078 38.0759 174.3087 79 P 4.6602 0.0000 0.0000 62.3117 32.7585 176.4839 80 L 4.3155 8.3140 123.2885 54.1352 41.2252 176.5146 81 R 4.1192 8.1825 124.3606 55.7881 30.8465 175.1537 82 G 3.0145 8.2074 107.5310 44.9268 0.0000 173.3928 83 C 4.2968 8.1365 122.2894 58.6029 30.6574 174.2686 84 I 4.0959 7.4372 122.0715 60.2971 37.6856 174.8879 85 D 4.4485 8.8767 125.5970 57.0693 41.6339 176.4474 86 D 4.6403 7.2816 114.8821 53.0271 41.4091 173.8880 87 R 4.2987 8.2099 126.9654 56.4351 29.1844 177.1414 88 I 4.0141 7.1484 116.2265 58.2632 39.1378 173.9294 89 P 4.4288 0.0000 0.0000 62.8832 31.8415 176.5327 90 T 4.1491 8.3518 111.5476 63.6829 69.8868 175.6765 91 D 4.4568 7.9791 122.0964 53.3501 42.6656 174.7058 92 P 4.3809 0.0000 0.0000 66.1053 31.2092 178.8701 93 T 3.9559 7.9759 112.9475 67.0879 68.6710 176.2170 94 M 4.4761 8.2343 120.5924 58.4835 31.9756 178.0670 95 Y 4.0329 8.7956 120.1413 60.8683 38.9370 178.3071 96 R 3.9445 8.0260 118.4947 59.5135 29.9142 179.0344 97 F 4.1095 7.7719 117.5102 60.4835 38.8220 177.1242 98 Y 3.9717 7.9101 118.8299 60.5930 38.5754 177.4720 99 E 3.6319 8.1584 120.6153 59.4235 29.6194 178.5369 100 M 4.1008 8.0476 118.7244 58.5360 31.9856 178.8028 101 L 3.9629 7.5604 118.9456 57.8616 41.5609 179.5464 102 Q 3.7982 7.5350 117.1143 58.3826 28.5784 178.6467 103 V 3.6551 7.6614 118.5453 65.1783 32.1538 176.8715 104 Y 4.6589 8.0446 114.2129 57.4434 38.3421 177.6822 105 G 3.7041 8.1586 109.0672 48.3145 0.0000 176.1492 106 T 3.9922 7.8319 112.1380 64.5112 68.7788 176.6606 107 T 3.9214 7.9002 118.2628 66.4332 68.4809 176.4650 108 L 4.0007 8.4698 121.4435 57.4934 41.5606 179.3020 109 K 3.7628 8.1383 119.3199 59.4948 32.1800 178.4024 110 A 4.0297 8.1107 120.8821 55.5288 18.2778 179.6884 111 L 4.0278 8.2894 117.5135 57.5478 41.5954 179.8446 112 V 3.8128 8.1414 118.7299 66.4428 31.0353 177.7997 113 H 4.9075 8.2527 117.3473 58.4748 28.3331 177.4839 114 E 3.9538 8.1769 119.9447 59.2274 29.5936 178.5781 115 K 3.9772 8.3542 117.5704 57.7228 32.2750 177.3264 116 F 4.0456 9.0165 115.4316 59.8230 41.1658 175.2215 117 G 4.1052 7.7995 104.1774 43.8492 0.0000 171.1631 118 D 4.7292 8.8781 120.4604 53.3653 41.9342 176.0927 119 G 3.9179 7.8067 115.0504 45.9813 0.0000 170.5447 120 I 4.8036 7.8905 114.7034 59.3495 41.7803 174.5650 121 I 4.7563 8.1090 123.5480 59.7314 38.1236 175.7050 122 S 4.3223 9.1325 122.7563 58.2928 63.2061 174.3948 123 A 3.7150 8.5811 127.8760 52.2919 19.4274 177.4664 124 I 4.2095 7.6918 115.5730 62.3545 39.0741 175.6156 125 N 4.8202 8.0244 122.1356 52.1584 38.2757 173.0044 126 F 5.5352 8.1388 124.2763 56.6217 42.6863 172.7085 127 K 4.4690 8.6531 123.6355 54.8733 36.2464 174.6470 128 L 5.1399 8.1869 123.0664 53.3460 44.9810 175.0462 129 D 4.8557 8.7583 123.6177 51.7622 43.4944 174.1711 130 V 4.6692 8.3861 119.4805 61.2199 33.7468 174.6344 131 K 4.7201 9.0021 127.3192 54.4230 35.4759 174.9972 132 K 4.9434 8.5985 124.8853 55.3645 33.6366 175.9968 133 V 4.6396 8.8110 119.7294 59.1073 35.9017 174.9415 134 A 4.3248 8.6968 126.2939 52.1199 19.2842 176.4436 135 D 4.5793 9.0068 122.2465 52.4314 41.9740 175.7949 136 P 4.2705 0.0000 0.0000 65.6823 31.3128 176.8781 137 E 4.1633 8.4658 116.6798 56.0711 29.7138 176.7431 138 G 4.0290 8.5351 108.1179 45.8135 0.0000 176.1468 139 G 3.8575 8.8501 108.6767 44.6270 0.0000 171.8829 140 E 5.1817 8.4875 117.8021 54.6954 33.5906 175.5300 141 R 4.8145 9.3639 120.2307 54.3992 34.2940 174.2985 142 A 5.0082 8.5597 123.1599 50.5173 20.9459 176.5255 143 V 4.1876 8.8660 123.8155 61.4853 33.2706 174.4426 144 I 4.8800 8.3848 129.3044 59.9650 39.2632 175.2880 145 T 4.4997 8.7071 124.5511 61.8748 70.5007 173.6035 146 L 4.6262 8.5636 127.0087 53.2142 43.4006 175.6854 147 D 4.7522 8.6759 125.1437 52.3714 43.2898 174.6830 148 G 4.7794 8.4766 112.0092 42.6032 0.0000 170.9608 149 K 4.2694 8.7716 123.9896 56.2754 33.4664 175.3261 150 Y 4.6246 8.8411 129.1221 57.4399 40.2042 174.0329 151 G 3.9776 8.9757 115.0914 43.5363 0.0000 170.5407 152 P 4.8371 0.0000 0.0000 62.2263 32.6950 175.8076 153 T 4.5028 8.6782 113.3906 60.3998 69.7844 174.2371 154 K 4.6759 8.5021 125.4877 53.3687 34.9538 174.3127 155 P 4.4406 0.0000 0.0000 62.7845 31.9845 176.5823 156 F 4.5560 7.7180 113.5475 57.2120 38.0040 174.6867 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 1 M 8.30 4.39 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 I 8.28 3.70 1.88 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 1.42 1.05 0.91 0.00 0.00 3 Q 8.34 4.89 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.26 0.00 4 S 8.54 5.14 0.00 3.80 3.77 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 5 Q 8.96 4.77 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 6 I 8.43 4.37 1.87 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 1.29 0.67 0.91 0.00 0.00 7 N 7.83 4.87 0.00 2.76 2.67 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.66 3.95 0.00 2.06 2.30 0.00 3.09 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 9 N 8.69 4.32 0.00 2.87 2.91 0.00 0.00 6.85 6.92 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 10 I 7.45 3.68 1.87 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 1.52 1.22 0.91 0.00 0.00 11 R 7.90 4.00 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.52 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.25 4.01 0.00 1.67 1.71 0.91 1.24 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 13 D 8.50 4.35 0.00 2.90 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 14 L 7.89 3.92 0.00 1.79 1.84 0.93 1.20 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 15 A 8.26 4.13 1.47 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 0.00 0.00 16 D 8.08 4.30 0.00 2.96 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 17 A 7.94 4.00 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 18 I 8.17 3.66 2.06 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 1.54 0.83 0.96 0.00 0.00 19 L 8.31 3.99 0.00 1.84 1.75 0.99 0.66 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 20 L 8.04 3.92 0.00 1.77 1.81 0.92 0.61 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 21 S 8.07 4.03 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.33 3.74 0.00 1.79 1.90 0.00 1.12 0.00 0.00 1.13 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.23 7.81 23 A 8.00 3.93 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 24 K 8.10 3.91 0.00 1.87 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 25 K 8.13 4.17 0.00 1.74 1.82 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.50 7.81 26 D 7.65 4.28 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.76 4.71 0.00 1.55 1.47 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.38 4.68 0.00 4.04 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 29 F 8.40 4.24 0.00 3.20 3.09 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 30 A 8.12 4.04 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 31 E 8.09 3.94 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 2.35 2.35 0.00 32 I 7.60 3.84 1.93 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 1.43 0.51 0.96 0.00 0.00 33 A 8.16 4.28 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 34 D 7.29 4.51 0.00 2.83 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 G 9.07 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 36 T 7.73 4.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 37 G 8.26 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 38 L 7.48 4.63 0.00 1.74 1.66 1.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.27 4.16 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 40 E 8.94 3.89 0.00 2.08 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 2.44 2.60 0.00 41 A 7.97 3.93 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 42 F 8.14 3.92 0.00 3.19 3.21 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 0.00 0.00 0.00 43 V 8.19 3.66 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.15 0.00 0.00 44 T 8.12 3.76 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 45 A 7.80 3.81 1.19 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 46 A 7.60 4.25 1.21 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 0.00 0.00 0.00 0.00 0.00 47 L 7.77 3.99 0.00 1.85 1.85 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.67 4.50 0.00 1.53 1.63 0.76 0.86 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 49 G 8.01 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 0.00 0.00 0.00 50 Q 8.39 4.50 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.37 4.40 0.00 1.37 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.00 1.40 0.00 52 A 8.28 4.95 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 53 L 8.67 4.69 0.00 1.64 1.64 0.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.62 0.00 2.09 1.99 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 55 A 8.95 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 56 D 8.12 4.29 0.00 2.71 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 57 A 7.99 4.00 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 58 A 8.40 3.97 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 59 R 8.23 3.90 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 60 L 8.04 3.93 0.00 1.90 1.83 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.09 3.81 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 0.82 0.00 0.00 1.02 0.00 0.00 62 G 8.26 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.05 4.00 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 64 K 8.00 3.97 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.72 7.81 65 L 7.66 4.50 0.00 1.70 1.66 0.93 1.08 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 66 D 7.65 4.38 0.00 2.78 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 67 L 8.16 4.35 0.00 1.58 1.59 0.93 0.96 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 68 D 8.23 4.73 0.00 2.95 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 69 E 8.53 3.99 0.00 2.00 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 2.40 2.35 0.00 70 D 8.06 4.35 0.00 2.72 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 71 S 8.68 4.12 0.00 4.05 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 72 I 7.57 3.72 2.00 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 1.42 0.59 0.92 0.00 0.00 73 L 8.22 4.26 0.00 1.87 1.85 0.93 0.74 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 74 L 8.27 4.02 0.00 1.89 1.70 0.92 0.86 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 75 L 8.05 4.08 0.00 1.90 1.73 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.58 4.68 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 77 M 7.27 4.52 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.52 0.00 78 I 8.81 4.03 1.87 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 1.46 0.95 0.92 0.00 0.00 79 P 0.00 4.66 0.00 2.13 2.03 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 80 L 8.31 4.32 0.00 1.67 1.64 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.18 4.12 0.00 1.81 1.88 0.00 3.23 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 82 G 8.21 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 0.00 0.00 0.00 83 C 8.14 4.30 0.00 3.06 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 84 I 7.44 4.10 1.85 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 1.29 0.54 0.88 0.00 0.00 85 D 8.88 4.45 0.00 2.62 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 86 D 7.28 4.64 0.00 2.59 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 87 R 8.21 4.30 0.00 1.98 2.06 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 88 I 7.15 4.01 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.68 0.00 0.00 89 P 0.00 4.43 0.00 2.18 2.04 0.00 3.40 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 90 T 8.35 4.15 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 91 D 7.98 4.46 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.38 0.00 2.23 2.12 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 93 T 7.98 3.96 4.49 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 1.35 0.00 0.00 94 M 8.23 4.48 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 95 Y 8.80 4.03 0.00 3.19 3.18 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 96 R 8.03 3.94 0.00 1.49 1.69 0.00 3.34 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 97 F 7.77 4.11 0.00 3.30 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 98 Y 7.91 3.97 0.00 2.94 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 99 E 8.16 3.63 0.00 1.90 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 2.28 2.37 0.00 100 M 8.05 4.10 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 101 L 7.56 3.96 0.00 1.53 1.56 0.91 0.94 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 0.00 102 Q 7.53 3.80 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 1.66 2.33 0.00 103 V 7.66 3.66 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 0.11 0.00 0.00 0.82 0.00 0.00 104 Y 8.04 4.66 0.00 3.25 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 0.00 105 G 8.16 3.70 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 0.00 0.00 0.00 106 T 7.83 3.99 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 1.20 0.00 0.00 107 T 7.90 3.92 4.60 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 1.34 0.00 0.00 108 L 8.47 4.00 0.00 1.85 1.73 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.14 3.76 0.00 1.82 1.97 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 110 A 8.11 4.03 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 0.00 111 L 8.29 4.03 0.00 1.73 1.77 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.14 3.81 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 1.10 0.00 0.00 0.94 0.00 0.00 113 H 8.25 4.91 0.00 3.39 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.18 3.95 0.00 2.05 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 2.29 2.33 0.00 115 K 8.35 3.98 0.00 1.66 1.21 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.47 7.81 116 F 9.02 4.05 0.00 2.50 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 0.00 117 G 7.80 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 0.00 118 D 8.88 4.73 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.81 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 0.00 120 I 7.89 4.80 1.86 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 1.19 0.79 0.92 0.00 0.00 121 I 8.11 4.76 1.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.97 0.00 0.00 122 S 9.13 4.32 0.00 3.94 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 0.00 123 A 8.58 3.72 0.98 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 0.00 124 I 7.69 4.21 1.88 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 1.26 0.94 0.93 0.00 0.00 125 N 8.02 4.82 0.00 2.81 2.75 0.00 0.00 6.68 7.16 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 0.00 126 F 8.14 5.54 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.65 4.47 0.00 1.61 1.65 0.00 1.21 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 1.17 7.81 128 L 8.19 5.14 0.00 1.58 1.51 0.88 1.12 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 0.00 129 D 8.76 4.86 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.39 4.67 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.00 4.72 0.00 1.72 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.46 7.81 132 K 8.60 4.94 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 133 V 8.81 4.64 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 0.70 0.00 0.00 0.98 0.00 0.00 134 A 8.70 4.32 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 135 D 9.01 4.58 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.27 0.00 2.22 2.18 0.00 3.81 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 1.99 2.00 0.00 137 E 8.47 4.16 0.00 2.06 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 2.33 2.25 0.00 138 G 8.54 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 0.00 0.00 0.00 139 G 8.85 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 0.00 140 E 8.49 5.18 0.00 1.82 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 0.00 2.21 2.31 0.00 141 R 9.36 4.81 0.00 1.68 1.78 0.00 3.25 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.56 5.01 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 0.00 143 V 8.87 4.19 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 1.04 0.00 0.00 0.94 0.00 0.00 144 I 8.38 4.88 1.98 0.00 0.00 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 1.40 0.84 0.92 0.00 0.00 145 T 8.71 4.50 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 1.17 0.00 0.00 146 L 8.56 4.63 0.00 1.65 1.99 1.01 1.17 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 0.00 147 D 8.68 4.75 0.00 2.59 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 0.00 148 G 8.48 4.78 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 0.00 0.00 0.00 149 K 8.77 4.27 0.00 1.95 1.72 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.84 4.62 0.00 2.78 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 0.00 151 G 8.98 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 0.00 152 P 0.00 4.84 0.00 2.06 1.99 0.00 3.48 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 153 T 8.68 4.50 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 1.28 0.00 0.00 154 K 8.50 4.68 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.44 7.81 155 P 0.00 4.44 0.00 2.00 1.90 0.00 3.64 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 2.02 2.06 0.00 156 F 7.72 4.56 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00