NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3359 8.4449 120.2282 56.2863 30.9259 174.6386 2 E 4.5913 8.2595 119.8134 53.8093 32.1699 173.0560 3 E 4.1868 8.6190 120.6538 55.9148 31.1511 176.5146 4 L 4.1642 8.5266 123.8853 55.7428 42.9714 176.0604 5 Q 4.7320 9.1464 124.9019 54.0632 32.4048 174.6391 6 V 4.5832 8.3325 122.7392 61.4368 33.8044 174.2192 7 I 4.3143 9.0441 130.2189 59.8770 38.2898 175.0995 8 Q 5.0314 8.5863 127.7420 53.5700 29.4005 174.9260 9 P 4.3353 0.0000 0.0000 64.3125 31.9438 176.1908 10 D 4.9032 7.2695 119.7764 52.3117 42.1223 176.4235 11 K 4.3687 8.7055 124.6837 59.1228 33.1652 177.1000 12 S 5.1682 7.8100 111.5517 56.9237 66.3363 173.9131 13 V 4.4894 8.8523 120.3496 61.3023 35.0528 173.7313 14 S 5.1761 8.7413 121.5756 56.4937 64.6597 173.0842 15 V 4.5259 8.5821 125.9306 60.7555 34.9386 174.3753 16 A 4.5066 8.5925 128.9648 51.2778 19.6813 176.7394 17 A 4.1973 8.4101 125.3906 54.0605 18.8577 177.7301 18 G 3.9798 9.3702 111.8216 45.1842 0.0000 173.5778 19 E 4.3976 8.0374 119.2035 55.8027 31.5972 175.5321 20 S 5.0821 8.4304 115.6219 57.5045 65.1769 173.4230 21 A 4.6495 8.6805 125.6121 50.3975 21.2201 175.8051 22 I 4.5929 8.1205 122.3158 59.4609 39.3518 174.9842 23 L 4.5090 8.3069 127.9523 53.1417 43.6732 175.5301 24 H 5.0861 8.8160 121.4858 55.4220 30.3458 175.5264 25 C 5.3707 9.1705 121.5392 55.9106 43.9518 172.7198 26 T 5.4478 9.2635 115.5753 60.1589 72.1881 173.0063 27 V 5.0956 8.7526 115.6203 60.1419 34.2837 175.9871 28 T 4.4789 8.4228 111.7449 62.3559 69.6323 174.6292 29 S 4.6683 7.8974 115.1920 57.1356 65.4160 173.2072 30 L 4.5544 8.5093 123.8349 54.5661 42.3667 176.4644 31 I 4.5285 7.1096 112.3368 57.6700 40.0005 173.7914 32 P 4.2855 0.0000 0.0000 62.1342 31.5398 176.3347 33 V 3.5744 8.2954 119.6152 61.7110 31.8986 175.4208 34 G 4.8555 8.2492 118.8501 44.2607 0.0000 169.8727 35 P 4.6352 0.0000 0.0000 62.2400 33.4303 174.6474 36 I 4.8473 7.9650 120.9406 60.1686 38.6635 175.3683 37 Q 4.7939 9.2329 124.4974 53.9908 33.3876 174.0100 38 W 5.3364 9.0199 121.7963 55.2595 31.7774 175.3080 39 F 5.4843 9.5287 121.8350 55.7847 43.2044 173.7519 40 R 4.4107 9.1869 122.4293 56.0045 31.3685 177.3805 41 G 4.2510 9.7695 113.3099 45.2678 0.0000 171.0354 42 A 4.3507 7.7977 120.3958 50.7387 22.3804 175.8902 43 G 3.8195 8.2211 107.0802 44.0690 0.0000 172.6420 44 P 4.1734 0.0000 0.0000 64.9244 31.2542 176.9362 45 A 4.6051 7.7424 120.2581 51.6060 19.1565 176.7806 46 R 4.2763 7.6566 114.7836 57.2772 30.5141 175.6575 47 E 4.6856 8.9156 122.2691 54.3666 31.4991 174.7319 48 L 4.1482 8.9299 129.8551 55.7211 42.0662 176.0677 49 I 4.3976 8.5037 127.5803 62.9484 39.1648 175.7254 50 Y 3.2597 7.0341 120.0882 56.1826 42.0308 173.1720 51 N 4.7988 6.5939 121.9138 51.5390 40.6767 173.9609 52 Q 4.1967 8.5371 115.7937 56.6694 29.1366 176.7860 53 K 4.1359 8.0655 119.4243 55.6444 32.5314 176.6437 54 E 3.8771 8.6691 125.1360 57.7477 29.9707 176.5894 55 G 3.8115 8.9340 113.2564 46.4936 0.0000 173.5100 56 H 4.4793 7.9272 116.5948 55.4219 30.8175 174.9679 57 F 4.9164 7.4317 117.6081 54.3692 39.3113 173.1577 58 P 4.3554 0.0000 0.0000 65.0159 31.7673 178.5212 59 R 4.3077 8.0486 116.6770 56.5864 30.7624 175.5193 60 V 5.3694 7.8677 117.8411 60.2601 34.1056 174.4334 61 T 4.7932 8.0165 120.6036 60.4586 71.4775 172.3753 62 T 4.2518 8.1463 114.7594 61.4100 69.1859 175.1074 63 V 3.5455 8.4653 124.8067 65.7517 31.7106 176.5954 64 S 4.5664 7.4924 113.7006 56.8673 64.5594 174.5357 65 E 4.2280 8.1595 122.7124 55.7559 27.4611 176.3349 66 S 4.4681 8.0834 114.8052 58.4008 63.7224 175.7984 67 T 4.2198 7.7087 110.4184 62.6112 69.5899 174.6319 68 K 4.3733 7.6434 123.7344 55.1954 33.2319 177.5850 69 R 3.9431 8.8013 123.8637 59.4517 29.9705 177.1655 70 E 4.2086 8.0167 112.8167 56.9650 30.3097 176.2157 71 N 4.2283 7.7842 119.0264 54.8276 39.3332 173.8961 72 M 4.8895 8.6384 122.5599 55.0513 34.3792 174.0491 73 D 4.9451 7.9713 119.7602 52.5817 42.1786 175.8829 74 F 4.8389 9.1263 124.8605 57.2907 40.2713 176.1378 75 S 4.7852 8.7035 116.2820 58.9154 63.7765 173.5028 76 I 4.8041 8.4006 116.6610 58.8815 41.1608 174.0843 77 S 5.0173 8.6150 118.2505 56.5868 65.6734 172.8176 78 I 4.8758 8.5044 124.5257 59.4163 39.4791 175.3669 79 S 4.5463 8.5745 122.2121 57.0011 64.3078 173.5517 80 N 4.1415 8.4791 115.4971 54.3547 35.8131 175.3867 81 I 3.9656 7.8829 119.4540 61.7533 38.2221 176.2966 82 T 4.9430 8.9183 114.1831 58.6802 71.8990 173.0030 83 P 4.1879 0.0000 0.0000 65.6832 31.3647 178.7452 84 A 4.1302 7.5892 119.6319 54.6525 18.2753 177.7944 85 D 4.6942 8.2077 114.1671 54.6767 41.3860 176.9201 86 A 4.2975 7.9342 123.3521 51.3851 19.0223 177.7504 87 G 4.0819 7.5347 108.7912 45.4050 0.0000 170.8177 88 T 4.9913 7.7534 115.9701 62.2737 70.5126 173.7310 89 Y 5.2167 9.0314 124.4767 56.4804 40.7268 174.2763 90 Y 5.1016 9.5935 121.8941 56.3008 41.4756 173.8348 91 C 3.8769 8.7899 124.5263 54.9998 44.7342 172.3115 92 V 4.8248 8.7200 126.7639 60.9026 34.3692 174.0846 93 K 4.7727 9.0418 129.9921 55.8594 33.6248 175.4362 94 F 5.2005 9.4138 125.6408 55.8818 42.6164 174.5726 95 R 5.0106 8.8430 120.0762 54.3610 32.6603 176.2249 96 K 4.6458 8.2811 120.6649 56.5872 32.9958 177.0538 97 G 3.9336 7.7997 110.2057 46.3435 0.0000 173.7314 98 S 4.5654 8.5171 114.5866 55.9522 62.4794 172.1264 99 P 4.8060 0.0000 0.0000 60.7594 33.4194 175.9094 100 D 4.9625 8.4610 118.0662 54.9006 41.4493 176.3608 101 T 4.8289 8.7142 111.4032 59.4524 72.0109 172.9623 102 E 3.1449 8.7790 125.2538 56.7614 29.6796 175.2616 103 F 4.7009 8.8294 129.2506 59.3764 40.9982 175.6118 104 K 4.3754 7.6131 117.9670 55.1378 35.4300 173.8236 105 S 4.9541 8.4252 121.2486 56.2689 64.5976 173.7054 106 G 3.9998 8.8047 113.6402 45.0379 0.0000 173.6932 107 A 4.2143 8.6045 122.2496 53.3147 18.7119 179.0770 108 G 3.4563 8.7824 101.2724 45.7877 0.0000 172.8778 109 T 4.8059 8.3475 116.9801 61.3608 72.2768 172.7949 110 E 4.5857 9.2575 129.1101 55.6291 31.1109 174.9740 111 L 4.9584 9.3101 131.2827 54.0561 43.5627 175.1956 112 S 5.0916 8.9689 121.7748 56.5914 65.7952 173.1142 113 V 4.8528 8.3089 121.7446 61.2801 33.8811 174.6692 114 R 4.5297 9.0031 127.5478 54.6292 31.2103 176.1256 115 A 4.2507 9.2608 128.6460 53.0392 19.5670 177.9969 116 K 5.0706 7.7001 119.8523 54.1045 31.7406 175.9772 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 E 8.44 4.34 0.00 1.97 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 2.22 2.41 0.00 2 E 8.26 4.59 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 3 E 8.62 4.19 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 4 L 8.53 4.16 0.00 1.77 1.80 1.07 0.78 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 5 Q 9.15 4.73 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 6 V 8.33 4.58 2.05 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 0.98 0.00 0.00 0.90 0.00 0.00 7 I 9.04 4.31 1.91 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 1.25 0.61 0.94 0.00 0.00 8 Q 8.59 5.03 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 9 P 0.00 4.34 0.00 2.19 2.20 0.00 4.01 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 10 D 7.27 4.90 0.00 2.88 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 11 K 8.71 4.37 0.00 1.69 1.87 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.40 7.81 12 S 7.81 5.17 0.00 3.82 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 13 V 8.85 4.49 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 0.93 0.00 0.00 0.91 0.00 0.00 14 S 8.74 5.18 0.00 3.88 3.69 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 15 V 8.58 4.53 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 0.94 0.00 0.00 0.86 0.00 0.00 16 A 8.59 4.51 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.41 4.20 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 18 G 9.37 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 19 E 8.04 4.40 0.00 1.96 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 2.41 2.41 0.00 20 S 8.43 5.08 0.00 3.71 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 21 A 8.68 4.65 1.02 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 0.00 0.00 22 I 8.12 4.59 1.72 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 1.23 0.87 0.61 0.00 0.00 23 L 8.31 4.51 0.00 0.62 1.23 -0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.82 5.09 0.00 3.12 3.28 0.00 5.72 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 25 C 9.17 5.37 0.00 3.21 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 26 T 9.26 5.45 4.33 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 1.28 0.00 0.00 27 V 8.75 5.10 2.13 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 0.67 0.00 0.00 1.24 0.00 0.00 28 T 8.42 4.48 4.27 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 1.29 0.00 0.00 29 S 7.90 4.67 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.51 4.55 0.00 1.70 1.73 1.02 1.00 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 31 I 7.11 4.53 1.83 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 1.35 0.65 0.90 0.00 0.00 32 P 0.00 4.29 0.00 1.86 1.82 0.00 3.50 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.00 33 V 8.30 3.57 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 0.95 0.00 0.00 0.91 0.00 0.00 34 G 8.25 4.86 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 35 P 0.00 4.64 0.00 2.09 2.17 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 36 I 7.97 4.85 1.29 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.71 0.00 0.00 37 Q 9.23 4.79 0.00 1.88 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 38 W 9.02 5.34 0.00 3.24 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 39 F 9.53 5.48 0.00 3.09 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 40 R 9.19 4.41 0.00 1.22 1.66 0.00 2.94 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.00 41 G 9.77 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 0.00 0.00 0.00 0.00 42 A 7.80 4.35 0.77 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 0.00 0.00 43 G 8.22 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.17 0.00 2.16 2.17 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 45 A 7.74 4.61 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 46 R 7.66 4.28 0.00 2.12 1.76 0.00 2.30 0.00 0.00 2.74 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 47 E 8.92 4.69 0.00 2.14 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 2.34 2.34 0.00 48 L 8.93 4.15 0.00 1.87 1.73 0.50 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.50 4.40 2.16 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.32 1.00 0.00 0.00 50 Y 7.03 3.26 0.00 2.78 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 51 N 6.59 4.80 0.00 2.51 2.60 0.00 0.00 6.17 7.39 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 52 Q 8.54 4.20 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 53 K 8.07 4.14 0.00 2.00 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.38 7.81 54 E 8.67 3.88 0.00 1.93 1.83 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 2.26 2.32 0.00 55 G 8.93 3.81 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 0.00 0.00 0.00 56 H 7.93 4.48 0.00 2.21 1.93 0.00 5.65 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 57 F 7.43 4.92 0.00 3.20 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 58 P 0.00 4.36 0.00 2.20 2.20 0.00 3.81 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 2.02 2.00 0.00 59 R 8.05 4.31 0.00 1.95 2.01 0.00 3.10 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 60 V 7.87 5.37 2.25 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 0.48 0.00 0.00 0.94 0.00 0.00 61 T 8.02 4.79 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 62 T 8.15 4.25 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 1.16 0.00 0.00 63 V 8.47 3.55 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 0.74 0.00 0.00 0.81 0.00 0.00 64 S 7.49 4.57 0.00 3.78 3.71 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 65 E 8.16 4.23 0.00 1.97 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 2.36 2.28 0.00 66 S 8.08 4.47 0.00 4.01 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 67 T 7.71 4.22 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 68 K 7.64 4.37 0.00 1.75 1.93 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.50 7.81 69 R 8.80 3.94 0.00 1.79 1.99 0.00 3.25 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 70 E 8.02 4.21 0.00 2.13 2.07 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 2.27 2.24 0.00 71 N 7.78 4.23 0.00 2.78 2.80 0.00 0.00 6.95 6.95 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 72 M 8.64 4.89 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 73 D 7.97 4.95 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.13 4.84 0.00 3.08 3.29 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 75 S 8.70 4.79 0.00 3.81 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 76 I 8.40 4.80 1.23 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.12 0.00 0.00 77 S 8.62 5.02 0.00 3.73 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 78 I 8.50 4.88 1.68 0.00 0.00 0.46 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 0.48 0.85 0.00 0.00 79 S 8.57 4.55 0.00 3.87 3.82 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 0.00 0.00 0.00 80 N 8.48 4.14 0.00 2.88 2.91 0.00 0.00 6.98 7.45 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 81 I 7.88 3.97 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.89 0.00 0.00 82 T 8.92 4.94 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 1.27 0.00 0.00 83 P 0.00 4.19 0.00 2.21 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 84 A 7.59 4.13 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 85 D 8.21 4.69 0.00 2.82 2.83 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 86 A 7.93 4.30 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 87 G 7.53 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 88 T 7.75 4.99 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 89 Y 9.03 5.22 0.00 2.97 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 90 Y 9.59 5.10 0.00 2.97 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 91 C 8.79 3.88 0.00 1.23 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.72 4.82 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.11 0.00 0.00 93 K 9.04 4.77 0.00 1.88 1.84 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.56 1.54 7.81 94 F 9.41 5.20 0.00 3.07 2.97 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 0.00 0.00 0.00 95 R 8.84 5.01 0.00 1.74 1.77 0.00 2.42 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.00 96 K 8.28 4.65 0.00 1.68 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.54 7.81 97 G 7.80 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 98 S 8.52 4.57 0.00 3.84 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 99 P 0.00 4.81 0.00 2.20 2.09 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 100 D 8.46 4.96 0.00 2.62 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.71 4.83 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 1.26 0.00 0.00 102 E 8.78 3.14 0.00 1.47 1.64 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 2.00 1.79 0.00 103 F 8.83 4.70 0.00 2.87 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 0.00 104 K 7.61 4.38 0.00 1.52 1.52 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.24 7.81 105 S 8.43 4.95 0.00 3.92 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 0.00 106 G 8.80 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 0.00 107 A 8.60 4.21 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.81 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 1.24 0.00 0.00 110 E 9.26 4.59 0.00 2.10 1.86 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 2.32 2.33 0.00 111 L 9.31 4.96 0.00 1.72 1.83 0.87 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.97 5.09 0.00 3.92 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 0.00 113 V 8.31 4.85 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 0.83 0.00 0.00 1.01 0.00 0.00 114 R 9.00 4.53 0.00 1.73 1.85 0.00 3.34 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 115 A 9.26 4.25 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 0.00 116 K 7.70 5.07 0.00 1.85 1.80 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.04 7.81