NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4530 8.1585 118.7933 54.6942 34.1293 177.5488 2 A 3.9554 7.9774 121.6357 54.7297 18.5065 178.5594 3 N 4.4401 8.3769 118.9024 58.1600 38.1837 178.2897 *4 F 4.3724 8.1145 124.5962 62.4041 38.2092 180.6134 5 L 4.3304 8.0811 125.3682 60.1943 40.5826 182.3140 6 T 4.2154 8.1280 117.7882 66.5014 68.4459 179.8219 7 K 4.3305 8.3600 129.1786 60.1658 31.7155 181.7340 8 N 4.6698 8.3911 122.4809 58.1162 37.3920 180.8898 *9 F 4.3568 8.0928 124.8958 62.4254 38.2551 180.9736 10 V 3.9479 7.7450 122.8092 66.2034 31.5110 181.2129 *11 W 4.2700 8.3119 126.3229 61.9394 28.1969 181.1708 12 I 4.0639 7.9876 123.7359 65.4795 34.7548 180.9436 13 L 4.2507 7.8560 123.4745 59.2941 40.6631 181.6936 14 A 4.1962 8.0232 120.6868 55.0583 18.2982 179.6599 15 A 4.1050 8.2879 119.5368 55.0762 18.3874 180.1416 16 G 3.6307 8.2619 107.0100 48.5236 0.0000 177.1287 17 V 3.8063 7.7319 122.0934 65.7695 31.5988 181.3384 18 G 3.8836 8.1397 108.5676 48.2855 0.0000 177.0018 19 V 3.7535 8.0348 124.3175 66.1092 31.6054 181.8651 *20 W 4.2402 8.2008 125.6765 62.0634 28.2036 181.7823 *21 F 4.3619 8.2084 124.1545 62.5523 37.5791 179.8852 *22 Y 4.3056 8.3143 123.9616 62.4354 36.6484 181.0629 23 Q 4.3088 8.4733 124.5307 60.8305 28.3148 182.1957 24 K 4.3552 8.1606 125.6264 59.3947 31.4709 181.2059 25 A 4.2467 7.8977 123.1005 55.9866 18.4173 179.8868 26 D 4.5404 7.9632 120.7609 59.0076 40.0490 180.4321 27 N 4.7723 8.6082 118.5308 55.7981 37.7690 179.2634 28 A 4.3234 7.6784 120.2620 55.1003 18.7764 177.9335 29 A 4.3209 7.3630 120.1040 51.3876 19.9216 177.8202 30 K 4.1138 8.3748 123.3597 55.0011 32.3417 178.2088 31 T 3.9318 8.3953 114.0058 61.0555 68.4518 174.1447 32 A 4.3282 8.6632 131.4725 52.2963 19.0795 177.7014 33 T 4.0559 7.8899 112.1798 60.9529 68.8634 179.6557 34 K 4.6751 8.7298 130.8521 51.9350 34.4012 171.9389 35 P 4.8727 0.0000 0.0000 57.8818 30.8240 171.8325 36 I 4.1406 6.7360 122.0571 59.6661 38.2765 173.9464 37 A 4.7156 7.9085 123.8104 52.9179 20.2417 178.7647 38 D 4.3244 8.2263 122.0568 59.2634 40.2774 184.2252 *39 F 4.4058 8.0591 124.3753 62.0079 37.7508 180.0921 40 L 4.2388 7.8830 121.5950 59.3935 40.8239 181.9804 41 A 4.2813 7.7337 123.8379 55.6530 18.3483 180.3401 42 E 4.0417 8.1664 119.1201 61.8184 29.8632 181.8503 43 L 4.2995 8.1942 125.9487 59.9804 40.8059 182.0585 44 Q 4.3290 8.0152 123.3397 60.7797 27.9050 181.7366 *45 F 4.3632 8.1227 124.4024 62.3825 38.0595 180.5899 46 L 4.3620 8.3618 125.2118 59.7448 40.1698 182.7510 47 V 3.9307 7.9194 121.5714 66.9990 31.3859 182.6099 48 N 4.7691 7.8815 119.2992 56.8870 37.4714 179.2741 49 G 3.9758 7.7230 108.4847 48.8396 0.0000 176.6201 50 S 4.3128 8.1126 122.5440 61.2439 62.5061 176.3176 51 N 4.4567 7.9052 117.8671 54.3472 35.1003 178.5175 *52 Y 4.1844 7.9502 119.5178 57.4130 37.8620 178.9949 53 V 3.6676 8.3731 123.0750 61.2187 31.2583 174.2243 54 K 3.8256 8.7964 134.4700 54.2222 28.2917 173.8561 *55 F 4.1970 8.3755 129.8529 61.4029 38.1746 174.7849 56 P 4.5869 0.0000 0.0000 67.8155 30.7816 181.4718 57 N 4.5799 8.0924 118.3708 57.3839 37.6891 179.3757 58 A 4.3499 8.4567 123.7977 54.7965 18.3445 180.0819 59 G 3.6005 8.3378 106.9703 48.5606 0.0000 176.7251 *60 F 4.1420 8.1809 125.4435 62.2672 37.9126 180.6649 61 V 4.0390 7.8620 122.0679 66.4274 31.3876 181.3143 62 L 4.3463 8.2518 125.5821 60.0617 40.6866 182.1740 63 T 4.1599 8.3230 117.8808 66.6732 68.2038 179.8562 64 R 4.2226 7.5659 123.7916 61.7464 29.5521 180.8949 65 D 4.7102 7.7621 120.5267 58.0471 40.0778 179.7112 66 A 4.5457 8.1387 121.8519 51.3288 19.3671 178.3904 67 L 4.0987 7.2133 117.4175 55.5426 41.5684 181.2651 68 Q 4.1899 8.5950 123.0181 61.2716 27.9949 180.2304 69 D 4.6542 8.1412 124.9603 59.1779 40.0897 181.1645 70 D 4.6867 8.1600 124.8723 58.5582 39.9168 181.0579 *71 F 4.3326 8.2174 123.8051 62.6694 38.2052 181.2818 72 I 3.9950 8.2729 121.3950 64.7371 34.9896 180.0260 73 A 4.2549 7.9686 125.0849 55.9690 18.0426 180.1036 *74 Y 4.1336 7.7624 120.3038 62.6495 37.0091 180.1249 75 D 4.7918 8.6524 124.1348 58.8709 39.9516 181.8981 76 D 5.0139 7.9394 123.1966 58.4475 40.5385 181.4960 77 R 4.4046 7.4219 122.5172 55.6157 27.9120 178.4527 78 I 3.8778 8.4603 124.9115 62.3008 35.6392 175.5137 79 K 4.5654 7.2293 118.7131 53.0075 35.7230 177.3137 80 A 3.7491 9.2877 122.3696 53.6944 17.2917 178.1612 *81 W 4.2295 8.0035 116.9717 56.6746 30.2917 172.4240 82 L 4.8273 7.6587 123.7536 52.3606 45.0427 174.8228 83 G 4.3278 8.6330 109.0230 47.1095 0.0000 175.0464 84 T 4.0460 8.4685 115.0828 66.7945 68.2822 172.8453 *85 H 4.4759 8.2831 122.2423 60.6230 27.9318 182.0433 86 D 4.6510 7.9663 124.8185 59.0895 39.8009 181.9056 87 R 4.2313 7.9334 124.7079 62.1303 29.1398 181.1466 *88 H 4.4940 8.2320 121.2278 60.1960 28.0903 180.3435 89 K 4.4484 7.7796 128.2194 60.0894 31.6112 181.4054 90 D 4.7756 8.5165 124.0266 58.1338 41.0747 181.2625 *91 F 4.9366 7.7354 123.8670 57.5172 35.7192 177.4151 92 L 4.9498 6.5345 120.1535 52.8282 44.4492 177.3475 93 A 4.3835 7.8806 123.2419 52.8849 21.9799 175.6888 94 E 4.4679 8.5932 116.6145 56.7196 31.8388 172.4802 95 I 4.5544 7.9453 113.1334 61.3684 39.2041 170.1336 96 L 5.0089 8.0960 124.5311 53.6793 44.7639 175.5962 97 D 4.7567 8.2923 113.9139 55.3665 43.2458 171.1971 *98 H 4.9201 8.3727 117.6288 54.5549 31.8737 174.4365 99 E 4.7738 8.3194 119.9188 55.0358 33.2127 173.8257 100 R 4.5028 8.5222 119.7636 57.2978 32.1051 175.1406 101 R 4.6522 8.7467 126.0823 55.6737 37.1169 176.8709 102 V 3.8661 9.2568 123.3213 66.8910 32.5190 180.2943 103 K 4.2386 8.0422 125.7435 60.1541 31.8222 180.8768 104 P 4.6008 0.0000 0.0000 67.5611 30.6238 181.3713 105 V 3.9585 7.7800 121.4452 66.8040 31.4017 181.4310 *106 Y 4.2892 8.0571 123.7121 62.5290 36.7946 181.3575 107 R 4.2669 8.1335 124.4197 61.8542 29.4134 182.1867 108 K 4.3370 8.2387 126.3854 60.2923 31.6400 182.5653 109 L 4.2875 7.9552 125.3720 60.0856 40.7873 182.8855 110 I 4.1224 7.7265 120.5972 65.0010 35.1709 181.3047 111 G 3.8656 7.9997 108.8805 48.3570 0.0000 176.0402 112 N 4.6136 8.3904 123.5968 57.9244 37.7049 179.9256 113 I 4.1612 8.2463 124.3709 64.6203 36.9005 180.5769 114 I 4.6389 7.4884 125.2253 60.2634 32.1721 178.7541 115 D 4.9294 7.1134 119.4025 51.4598 43.5976 177.2382 116 A 4.1673 8.7419 128.6845 52.5163 18.7113 178.5711 117 S 4.5965 8.6826 112.0639 58.8687 61.8028 174.3967 118 T 4.7333 7.9313 114.0077 59.6338 72.0599 175.4038 119 I 4.0956 8.4305 125.2190 59.7302 36.1621 175.8847 120 R 4.6830 8.3663 123.1092 53.4161 32.7810 170.9570 121 A 4.6357 8.2883 123.3848 50.8881 22.2716 174.6626 122 A 4.5968 7.7742 122.7128 51.8220 21.9434 176.5584 123 S 5.3101 8.6243 124.6054 58.9018 60.3787 177.6075 124 G 3.8004 7.3363 111.9257 44.8915 0.0000 170.9236 125 V 3.6896 8.3079 114.7917 59.6658 32.0941 166.4043 126 E 4.2001 8.7292 114.1570 60.2128 29.9378 173.4508 127 L 4.2730 7.8024 121.1576 55.1894 40.9803 182.1525 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 8.16 4.45 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.12 0.00 2 A 7.98 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.38 4.44 0.00 2.74 2.84 0.00 0.00 7.00 8.12 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 *4 F 8.11 4.37 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.08 4.33 0.00 1.68 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.13 4.22 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 1.21 0.00 0.00 7 K 8.36 4.33 0.00 1.77 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 8 N 8.39 4.67 0.00 2.74 2.85 0.00 0.00 7.10 8.26 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 *9 F 8.09 4.36 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.75 3.95 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 0.71 0.00 0.00 0.93 0.00 0.00 *11 W 8.31 4.27 0.00 2.51 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.99 4.06 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 1.38 0.54 0.91 0.00 0.00 13 L 7.86 4.25 0.00 1.60 1.70 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.02 4.20 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 15 A 8.29 4.11 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 16 G 8.26 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 17 V 7.73 3.81 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 0.79 0.00 0.00 0.93 0.00 0.00 18 G 8.14 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.03 3.75 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 0.76 0.00 0.00 0.93 0.00 0.00 *20 W 8.20 4.24 0.00 2.52 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 F 8.21 4.36 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 8.31 4.31 0.00 2.31 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 0.00 0.00 0.00 0.00 23 Q 8.47 4.31 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 24 K 8.16 4.36 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.33 7.81 25 A 7.90 4.25 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 26 D 7.96 4.54 0.00 2.83 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 27 N 8.61 4.77 0.00 2.76 2.75 0.00 0.00 7.02 7.47 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 28 A 7.68 4.32 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 29 A 7.36 4.32 1.25 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 30 K 8.37 4.11 0.00 1.79 1.61 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 31 T 8.40 3.93 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 1.21 0.00 0.00 32 A 8.66 4.33 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 33 T 7.89 4.06 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 1.21 0.00 0.00 34 K 8.73 4.68 0.00 1.73 1.58 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 0.96 7.81 35 P 0.00 4.87 0.00 2.04 1.85 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 36 I 6.74 4.14 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 1.35 0.87 0.91 0.00 0.00 37 A 7.91 4.72 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 38 D 8.23 4.32 0.00 2.70 2.67 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 *39 F 8.06 4.41 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.88 4.24 0.00 1.64 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.73 4.28 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 42 E 8.17 4.04 0.00 1.96 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 2.24 2.19 0.00 43 L 8.19 4.30 0.00 1.66 1.71 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.02 4.33 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 *45 F 8.12 4.36 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.36 4.36 0.00 1.65 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.92 3.93 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 0.71 0.00 0.00 0.93 0.00 0.00 48 N 7.88 4.77 0.00 2.76 2.76 0.00 0.00 7.08 7.90 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 49 G 7.72 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 50 S 8.11 4.31 0.00 3.74 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 51 N 7.91 4.46 0.00 2.93 2.83 0.00 0.00 6.94 7.43 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 *52 Y 7.95 4.18 0.00 2.33 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 0.00 0.00 0.00 53 V 8.37 3.67 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 0.86 0.00 0.00 0.93 0.00 0.00 54 K 8.80 3.83 0.00 1.84 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 0.99 7.81 *55 F 8.38 4.20 0.00 2.28 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 0.00 0.00 0.00 0.00 56 P 0.00 4.59 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 57 N 8.09 4.58 0.00 2.72 2.85 0.00 0.00 6.79 8.20 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 58 A 8.46 4.35 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 59 G 8.34 3.60 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 0.00 0.00 0.00 0.00 *60 F 8.18 4.14 0.00 2.33 2.31 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 61 V 7.86 4.04 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 0.71 0.00 0.00 0.93 0.00 0.00 62 L 8.25 4.35 0.00 1.66 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.32 4.16 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 1.21 0.00 0.00 64 R 7.57 4.22 0.00 1.95 1.87 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 65 D 7.76 4.71 0.00 2.74 2.61 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 66 A 8.14 4.55 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 67 L 7.21 4.10 0.00 1.90 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.60 4.19 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 69 D 8.14 4.65 0.00 2.68 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 70 D 8.16 4.69 0.00 2.68 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 *71 F 8.22 4.33 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.27 3.99 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 1.45 0.54 0.91 0.00 0.00 73 A 7.97 4.25 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 *74 Y 7.76 4.13 0.00 2.47 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 0.00 0.00 0.00 0.00 75 D 8.65 4.79 0.00 2.72 2.61 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 76 D 7.94 5.01 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.42 4.40 0.00 1.87 1.80 0.00 3.25 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 78 I 8.46 3.88 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 1.27 1.10 0.91 0.00 0.00 79 K 7.23 4.57 0.00 1.70 1.56 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.97 7.81 80 A 9.29 3.75 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 W 8.00 4.23 0.00 2.47 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 0.00 0.00 0.00 82 L 7.66 4.83 0.00 1.49 1.47 0.92 0.88 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 83 G 8.63 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 0.00 0.00 0.00 0.00 84 T 8.47 4.05 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 1.21 0.00 0.00 *85 H 8.28 4.48 0.00 2.91 3.10 0.00 7.15 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.97 4.65 0.00 2.72 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 87 R 7.93 4.23 0.00 1.79 1.97 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 *88 H 8.23 4.49 0.00 3.02 3.01 0.00 7.17 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.78 4.45 0.00 1.82 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 90 D 8.52 4.78 0.00 2.75 2.61 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 *91 F 7.74 4.94 0.00 2.36 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 0.00 0.00 0.00 0.00 92 L 6.53 4.95 0.00 1.62 1.43 0.92 0.78 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 93 A 7.88 4.38 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 94 E 8.59 4.47 0.00 2.00 1.80 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 2.21 1.87 0.00 95 I 7.95 4.55 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 1.27 0.89 0.91 0.00 0.00 96 L 8.10 5.01 0.00 1.60 1.46 0.92 0.86 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 97 D 8.29 4.76 0.00 2.64 2.40 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 *98 H 8.37 4.92 0.00 2.86 2.79 0.00 7.21 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.32 4.77 0.00 1.92 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.82 0.00 100 R 8.52 4.50 0.00 1.82 1.73 0.00 3.27 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 101 R 8.75 4.65 0.00 1.69 1.50 0.00 3.21 0.00 0.00 3.37 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 102 V 9.26 3.87 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 0.75 0.00 0.00 0.93 0.00 0.00 103 K 8.04 4.24 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 104 P 0.00 4.60 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 105 V 7.78 3.96 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 0.71 0.00 0.00 0.93 0.00 0.00 *106 Y 8.06 4.29 0.00 2.34 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 0.00 0.00 0.00 0.00 107 R 8.13 4.27 0.00 1.85 1.97 0.00 3.24 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 108 K 8.24 4.34 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 109 L 7.96 4.29 0.00 1.60 1.71 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.73 4.12 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 1.45 0.54 0.91 0.00 0.00 111 G 8.00 3.87 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 0.00 0.00 0.00 112 N 8.39 4.61 0.00 2.83 2.75 0.00 0.00 6.97 8.37 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 0.00 113 I 8.25 4.16 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 1.38 1.10 0.91 0.00 0.00 114 I 7.49 4.64 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 1.38 1.15 0.91 0.00 0.00 115 D 7.11 4.93 0.00 2.62 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 4.17 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 0.00 117 S 8.68 4.60 0.00 3.69 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 0.00 118 T 7.93 4.73 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 1.21 0.00 0.00 119 I 8.43 4.10 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 1.27 1.10 0.91 0.00 0.00 120 R 8.37 4.68 0.00 1.76 1.67 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 121 A 8.29 4.64 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 0.00 122 A 7.77 4.60 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 0.00 123 S 8.62 5.31 0.00 3.74 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 0.00 124 G 7.34 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 0.00 0.00 0.00 125 V 8.31 3.69 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 0.68 0.00 0.00 0.93 0.00 0.00 126 E 8.73 4.20 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 127 L 7.80 4.27 0.00 1.66 1.47 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.