NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2465 8.3144 120.1354 55.9795 33.3322 174.9311 2 E 3.9408 8.7127 125.8188 53.7788 30.2436 175.4666 3 S 4.3642 8.9248 123.3706 57.9842 66.2978 174.3964 4 A 4.0124 8.6657 125.1091 55.5493 18.1413 180.1158 5 A 3.9782 7.9876 118.4131 55.3183 18.6004 179.6144 6 A 4.0198 8.0734 119.3665 54.9981 18.4462 179.7916 7 K 3.8829 8.5284 118.7482 59.4851 32.2273 178.7489 8 F 4.0577 8.4153 120.9352 61.4798 39.3534 176.9114 9 E 3.9581 8.2249 117.6600 59.4491 29.0174 179.4429 10 R 3.8295 7.7039 117.6948 59.4751 30.2539 178.2175 11 Q 4.0427 7.8319 116.5810 57.7274 28.9181 176.3332 12 H 4.6955 7.7760 113.1857 55.0345 30.5090 172.9383 13 M 4.6014 7.7155 120.1321 53.6528 33.5156 176.2366 14 D 4.7060 8.2043 122.5801 52.9079 41.6780 174.0956 15 S 4.4651 8.2232 118.2892 60.0595 64.3138 176.3357 16 G 3.7183 8.1471 108.1122 48.5110 0.0000 173.9466 17 N 4.4557 7.5648 115.9981 52.6608 39.0769 175.1447 18 S 4.3106 8.3953 116.2182 57.8368 63.1613 174.2202 19 A 4.0302 8.4210 127.9748 53.9513 18.6080 177.6585 20 S 4.4160 7.8709 112.1984 57.0719 62.3683 174.7156 21 S 5.0068 8.6985 126.0702 61.2105 62.3165 176.1985 22 S 4.1055 8.0936 115.4108 61.0308 62.1520 175.4611 23 S 4.5437 8.0665 116.9182 59.8762 63.4905 175.1848 24 N 4.7639 7.8869 117.1878 52.8612 37.5922 175.7771 25 Y 4.0877 7.8151 122.9772 61.6083 38.8266 177.5237 26 C 4.0485 8.2601 116.6089 59.9848 37.1707 175.7081 27 N 4.4324 8.2764 117.4663 56.5893 38.1612 177.2964 28 L 3.9546 7.8285 119.8930 58.1027 41.7155 179.5577 29 M 3.7758 7.8814 118.9902 58.5132 31.7204 178.7753 30 M 4.1150 8.3069 119.2603 58.2883 32.0735 178.4929 31 C 4.3202 7.7320 120.1616 61.9899 31.6254 175.1138 32 C 4.0615 8.1920 119.8388 62.4461 31.2181 174.1294 33 R 4.3870 8.3488 116.8767 55.6612 29.4085 176.2355 34 K 3.8992 7.6445 114.9738 58.2128 30.2385 175.7993 35 M 4.6075 8.2401 115.2992 55.4259 32.2275 177.3097 36 T 4.7404 7.6516 105.8456 60.1294 69.7768 172.7538 37 Q 4.4261 8.2137 121.6844 56.7037 29.3633 174.6883 38 G 4.1412 10.4568 114.3672 45.2751 0.0000 173.2113 39 K 3.9248 6.6841 117.6355 54.6616 35.0954 174.9529 40 C 4.6813 8.4822 122.0199 55.5465 40.7331 173.6998 41 K 4.1425 8.6451 127.3518 55.9093 32.4419 174.2755 42 P 4.5768 0.0000 0.0000 65.4155 31.8328 176.1665 43 V 5.0341 7.5349 116.2176 61.5358 34.9470 173.4184 44 N 4.7083 8.7338 122.5470 52.7805 42.7756 173.0085 45 T 4.8148 7.7568 120.4981 61.5770 71.4091 173.2550 46 F 4.7932 8.8296 124.3300 55.6049 42.0134 174.4549 47 V 4.5123 8.4336 122.7081 61.6984 32.8465 174.8894 48 H 4.8822 9.0048 124.0908 55.8443 29.4295 175.0908 49 E 4.3593 8.0052 119.0434 55.1029 30.8994 176.7841 50 S 4.3864 8.2368 114.5232 58.2347 65.0013 174.8559 51 L 3.9625 8.4616 124.2584 58.2840 41.8873 179.1339 52 A 3.9836 7.9533 120.2932 55.3987 18.1674 179.2383 53 D 4.3557 7.9617 116.3330 57.2327 41.1505 178.8527 54 V 3.7977 7.7970 118.7954 65.8085 31.6745 178.3264 55 K 4.0302 8.4885 118.3272 59.1179 31.8414 179.0878 56 A 4.0604 7.9762 120.9701 54.5499 18.2338 179.6491 57 V 3.7826 7.6450 117.0815 66.1058 31.3098 177.1116 58 C 3.9623 7.9064 115.0440 58.1562 39.8804 174.2438 59 S 4.6366 7.5056 114.4101 57.8731 63.7403 174.8520 60 Q 4.5860 7.5253 120.9451 55.9440 28.1559 176.6936 61 K 4.1222 8.3837 127.5433 57.4793 33.0735 176.2564 62 K 4.2667 8.6707 129.5810 56.2202 32.7481 176.0116 63 V 4.5248 8.4159 119.3625 60.1258 36.8860 174.2082 64 T 4.3315 8.2005 118.4037 62.7048 69.3829 176.1199 65 C 4.6841 8.4822 123.1518 56.6257 40.8611 175.1069 66 K 3.8127 8.4436 120.3584 58.8646 31.6759 178.0572 67 D 4.6166 8.1051 116.7924 52.8919 39.5380 177.3461 68 G 3.9342 7.8771 109.2709 45.7637 0.0000 174.3040 69 Q 4.2287 8.6557 119.4705 56.2545 29.2708 176.4581 70 T 4.3893 8.3030 107.3001 61.5752 69.1883 173.9069 71 N 4.9675 7.8820 119.0219 53.5834 38.3682 174.7050 72 C 5.3211 7.3766 116.8369 56.8557 44.2529 172.9403 73 Y 5.2144 9.1911 119.4425 56.2749 42.1057 173.9473 74 Q 5.1947 9.2792 124.6851 54.0156 30.9901 174.9167 75 S 4.6585 8.8749 121.5856 58.3660 63.6523 175.7850 76 K 4.1808 9.7702 123.4091 58.7127 32.0641 176.7827 77 S 4.9972 7.2329 108.5792 56.0420 66.2953 174.2061 78 T 4.0613 8.2666 110.2199 62.0795 69.7459 173.5191 79 M 5.0287 9.0957 121.4612 53.5191 36.9244 174.8887 80 R 4.7451 9.1226 121.4875 56.0828 31.3562 175.8524 81 I 5.1552 8.9258 117.1031 59.3984 41.9941 174.2343 82 T 5.1167 8.9320 119.3729 61.8948 71.9423 172.5341 83 D 4.9094 9.5526 127.0152 53.2653 43.2059 174.2298 84 C 5.4664 9.2422 124.0117 55.3461 39.7579 172.7677 85 R 5.2680 8.6564 124.6963 53.9383 32.5728 174.4747 86 E 4.1137 9.1631 128.2790 56.8508 30.3706 176.5476 87 T 4.3281 8.5666 117.2350 60.2592 70.8532 176.0592 88 G 3.6262 8.7369 111.2539 48.8000 0.0000 174.7729 89 S 4.3789 7.8706 111.2029 58.3829 63.3316 173.8771 90 S 4.2843 7.6895 116.8015 58.1308 62.7745 173.8046 91 K 4.1949 8.8471 127.8144 55.5591 33.8586 174.0153 92 Y 4.3671 8.7945 127.8110 57.7682 38.8690 174.6672 93 P 3.4345 0.0000 0.0000 63.7899 32.5092 176.7343 94 N 4.6268 7.9863 120.1021 52.3422 36.9555 173.5497 95 C 4.6467 7.9200 116.0302 56.6670 42.3200 173.4370 96 A 5.1278 8.7976 126.3214 50.3563 21.6758 174.4623 97 Y 5.1978 9.3567 118.5227 56.1269 42.6670 174.5998 98 K 4.6448 9.3177 123.0360 55.2303 34.5013 175.0092 99 T 5.0582 8.5844 123.9082 62.8271 70.2211 174.4239 100 T 4.5969 8.8361 122.1297 62.1459 72.5728 172.7835 101 Q 4.9286 8.7747 125.9043 54.9331 30.3274 175.5130 102 V 4.5574 8.6546 115.7778 60.2016 37.3111 173.7021 103 E 5.0774 8.7286 120.0280 54.9246 31.7873 175.5315 104 K 4.7865 8.6684 122.7988 54.6580 37.6154 175.6081 105 H 4.8442 9.2662 118.8475 55.7473 30.0194 175.0127 106 I 4.9005 8.7914 114.9072 59.2002 41.1470 174.3474 107 I 4.8818 8.5389 123.9209 59.7367 40.1451 175.1086 108 V 4.7913 8.6855 119.5889 59.3389 35.8702 174.5114 109 A 5.1033 8.9029 125.0383 51.1163 20.7243 175.7066 110 C 5.5077 9.0780 119.1226 55.6295 44.7157 173.3582 111 G 3.9711 9.2759 107.8539 46.6828 0.0000 173.4577 112 G 4.2772 9.0074 107.5907 44.7995 0.0000 172.6158 113 K 4.6472 8.1021 116.8611 53.5712 34.6866 175.1438 114 P 4.3630 0.0000 0.0000 62.2433 31.9366 175.9095 115 S 4.7586 8.3146 114.7680 58.2216 62.6877 173.4808 116 V 4.6323 8.6394 119.6643 58.4998 36.2643 173.2771 117 P 4.8246 0.0000 0.0000 63.2430 31.3444 176.9048 118 V 4.5214 8.8634 115.6239 61.0225 33.8999 175.2078 119 H 4.6889 7.8961 119.1332 55.0815 33.3532 171.9051 120 F 4.4587 8.7083 128.6156 57.6715 39.3629 174.4236 121 D 4.4937 8.4961 127.1047 56.0037 41.8604 175.6165 122 A 4.5886 6.3555 117.2672 51.6112 22.6504 174.3880 123 S 5.1815 8.8524 112.7691 56.6201 66.0380 174.7701 124 V 4.1255 8.9006 121.9386 61.9067 31.4260 175.2961 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 K 8.31 4.25 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 2 E 8.71 3.94 0.00 2.01 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 2.30 2.37 0.00 3 S 8.92 4.36 0.00 4.10 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 4 A 8.67 4.01 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 5 A 7.99 3.98 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 6 A 8.07 4.02 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 7 K 8.53 3.88 0.00 1.91 2.05 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.54 7.81 8 F 8.42 4.06 0.00 3.19 3.27 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 9 E 8.22 3.96 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 10 R 7.70 3.83 0.00 1.80 2.05 0.00 3.23 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 1.58 1.62 0.00 11 Q 7.83 4.04 0.00 1.67 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 12 H 7.78 4.70 0.00 2.16 2.92 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.72 4.60 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 14 D 8.20 4.71 0.00 2.52 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 15 S 8.22 4.47 0.00 3.90 3.90 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 16 G 8.15 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 17 N 7.56 4.46 0.00 3.10 2.78 0.00 0.00 7.07 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 18 S 8.40 4.31 0.00 3.84 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 19 A 8.42 4.03 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 20 S 7.87 4.42 0.00 3.84 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 21 S 8.70 5.01 0.00 4.12 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 22 S 8.09 4.11 0.00 3.87 3.95 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 23 S 8.07 4.54 0.00 4.03 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 24 N 7.89 4.76 0.00 3.01 3.07 0.00 0.00 5.88 7.57 0.00 0.00 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 Y 7.82 4.09 0.00 3.23 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.26 4.05 0.00 3.16 3.08 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 27 N 8.28 4.43 0.00 2.94 2.94 0.00 0.00 7.11 6.74 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 28 L 7.83 3.95 0.00 1.66 1.61 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.88 3.78 0.00 1.02 1.23 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 2.02 0.00 30 M 8.31 4.12 0.00 1.74 1.98 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.42 0.00 31 C 7.73 4.32 0.00 3.01 3.14 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 32 C 8.19 4.06 0.00 2.91 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 33 R 8.35 4.39 0.00 1.98 2.00 0.00 3.58 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 34 K 7.64 3.90 0.00 1.91 1.90 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 35 M 8.24 4.61 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.41 0.00 36 T 7.65 4.74 4.44 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 1.43 0.00 0.00 37 Q 8.21 4.43 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 38 G 10.46 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 0.00 0.00 0.00 39 K 6.68 3.92 0.00 1.52 1.44 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.35 7.81 40 C 8.48 4.68 0.00 3.14 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 41 K 8.65 4.14 0.00 1.87 1.76 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 42 P 0.00 4.58 0.00 2.14 2.12 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 43 V 7.53 5.03 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 0.78 0.00 0.00 0.97 0.00 0.00 44 N 8.73 4.71 0.00 2.63 2.19 0.00 0.00 7.07 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 45 T 7.76 4.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 46 F 8.83 4.79 0.00 3.00 2.84 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 47 V 8.43 4.51 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 0.86 0.00 0.00 1.03 0.00 0.00 48 H 9.00 4.88 0.00 3.15 3.28 0.00 5.70 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 49 E 8.01 4.36 0.00 1.99 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 2.26 0.00 50 S 8.24 4.39 0.00 4.05 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 51 L 8.46 3.96 0.00 1.79 1.71 0.94 1.10 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 52 A 7.95 3.98 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 53 D 7.96 4.36 0.00 2.83 2.75 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 54 V 7.80 3.80 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 1.08 0.00 0.00 1.06 0.00 0.00 55 K 8.49 4.03 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 56 A 7.98 4.06 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 57 V 7.64 3.78 2.20 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 1.09 0.00 0.00 1.02 0.00 0.00 58 C 7.91 3.96 0.00 2.96 2.78 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 59 S 7.51 4.64 0.00 3.89 3.78 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 60 Q 7.53 4.59 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 61 K 8.38 4.12 0.00 2.00 1.87 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.39 7.81 62 K 8.67 4.27 0.00 1.81 1.59 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.98 0.72 7.81 63 V 8.42 4.52 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 0.67 0.00 0.00 0.86 0.00 0.00 64 T 8.20 4.33 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 1.25 0.00 0.00 65 C 8.48 4.68 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 3.81 0.00 1.77 1.87 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 67 D 8.11 4.62 0.00 2.75 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 68 G 7.88 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 69 Q 8.66 4.23 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 70 T 8.30 4.39 4.18 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 1.17 0.00 0.00 71 N 7.88 4.97 0.00 3.02 3.10 0.00 0.00 6.08 7.68 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 72 C 7.38 5.32 0.00 3.10 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 73 Y 9.19 5.21 0.00 2.86 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 74 Q 9.28 5.19 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 75 S 8.87 4.66 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.77 4.18 0.00 1.86 1.95 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.40 7.81 77 S 7.23 5.00 0.00 3.82 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 78 T 8.27 4.06 4.18 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 1.09 0.00 0.00 79 M 9.10 5.03 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 80 R 9.12 4.75 0.00 1.82 1.90 0.00 3.05 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 81 I 8.93 5.16 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 1.04 0.00 0.00 82 T 8.93 5.12 4.54 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 1.43 0.00 0.00 83 D 9.55 4.91 0.00 2.92 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.24 5.47 0.00 2.84 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 85 R 8.66 5.27 0.00 1.95 1.81 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 E 9.16 4.11 0.00 1.98 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 2.16 1.99 0.00 87 T 8.57 4.33 4.22 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 1.19 0.00 0.00 88 G 8.74 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 89 S 7.87 4.38 0.00 3.97 3.97 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 90 S 7.69 4.28 0.00 3.83 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 91 K 8.85 4.19 0.00 1.79 1.61 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.38 7.81 92 Y 8.79 4.37 0.00 2.92 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 93 P 0.00 3.43 0.00 1.87 1.32 0.00 3.61 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 94 N 7.99 4.63 0.00 2.95 2.78 0.00 0.00 6.92 7.84 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 95 C 7.92 4.65 0.00 3.12 3.07 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 96 A 8.80 5.13 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 97 Y 9.36 5.20 0.00 2.83 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 98 K 9.32 4.64 0.00 1.82 1.72 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 99 T 8.58 5.06 4.45 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 1.37 0.00 0.00 100 T 8.84 4.60 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 1.24 0.00 0.00 101 Q 8.77 4.93 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 102 V 8.65 4.56 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 0.70 0.00 0.00 nan 0.00 0.00 103 E 8.73 5.08 0.00 1.80 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 2.20 2.30 0.00 104 K 8.67 4.79 0.00 1.74 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.43 7.81 105 H 9.27 4.84 0.00 3.20 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.79 4.90 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 1.12 0.00 0.00 107 I 8.54 4.88 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.86 0.00 0.00 108 V 8.69 4.79 2.15 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 0.59 0.00 0.00 0.96 0.00 0.00 109 A 8.90 5.10 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 0.00 110 C 9.08 5.51 0.00 2.89 2.94 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 0.00 111 G 9.28 3.97 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 0.00 0.00 0.00 112 G 9.01 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 0.00 0.00 0.00 0.00 113 K 8.10 4.65 0.00 1.67 1.70 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.45 7.81 114 P 0.00 4.36 0.00 2.15 2.04 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 115 S 8.31 4.76 0.00 3.86 3.74 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 0.00 116 V 8.64 4.63 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 0.72 0.00 0.00 0.99 0.00 0.00 117 P 0.00 4.82 0.00 1.97 2.02 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 118 V 8.86 4.52 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 0.70 0.00 0.00 1.02 0.00 0.00 119 H 7.90 4.69 0.00 3.24 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.71 4.46 0.00 3.05 2.85 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 0.00 0.00 0.00 121 D 8.50 4.49 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 6.36 4.59 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 0.00 123 S 8.85 5.18 0.00 3.95 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 0.00 124 V 8.90 4.13 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 0.89 0.00 0.00 0.93 0.00 0.00