NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 D 4.5914 8.3493 120.5321 53.6916 42.7770 175.4092 26 P 4.3922 0.0000 0.0000 61.4846 29.8929 174.6521 27 T 4.0327 8.1394 114.9325 62.8668 69.3658 175.4321 28 T 3.8661 8.3304 122.8970 65.6910 69.0040 174.6075 29 Y 4.7012 7.6592 119.9295 54.8406 37.7871 174.2513 30 P 4.4896 0.0000 0.0000 64.2110 31.8066 178.0724 31 D 4.3832 8.0949 118.0560 54.9053 39.8270 176.1014 32 V 4.1130 7.5951 120.4963 61.0160 31.5763 175.3671 33 E 4.1776 8.5071 126.9915 56.0196 30.0654 176.3629 34 L 4.2787 8.2517 123.1496 54.6186 42.9247 176.2692 35 S 4.6554 8.4189 122.2735 56.4298 64.1893 172.4133 36 P 4.6125 0.0000 0.0000 61.1795 32.2729 174.0822 37 P 4.4298 0.0000 0.0000 61.7913 31.9466 174.9015 38 P 4.5182 0.0000 0.0000 62.9769 32.7140 174.8787 39 R 5.1277 8.4988 122.3617 55.4523 31.6218 175.0416 40 I 4.9604 8.9505 118.4266 59.9325 42.1637 173.4595 41 S 5.3682 9.2191 117.8367 56.6578 66.6814 173.1950 42 L 5.0619 8.6580 125.4174 53.5675 43.8995 175.0173 43 R 5.4366 8.6830 125.0777 53.1904 33.9820 175.1411 44 S 3.1301 8.4410 117.7913 57.8913 63.0949 174.5842 45 L 4.0736 8.0032 126.3850 56.5570 41.4335 178.2139 46 L 4.0079 7.4899 121.0884 57.4306 42.2796 177.6757 47 T 3.7582 7.4682 105.6451 61.2831 69.4583 175.3385 48 A 3.7141 8.0432 123.0007 52.3951 17.2369 177.0827 49 Q 4.4424 7.7777 116.9861 54.8832 30.0365 173.9612 50 P 4.8075 0.0000 0.0000 62.4280 32.6302 176.0925 51 V 3.9074 8.9053 123.4105 63.0947 31.8605 175.4601 52 K 5.1176 8.9111 126.7472 54.8657 34.7911 174.9055 53 N 5.2783 8.6586 119.7512 51.3357 39.7761 174.3377 54 D 4.7217 8.5805 117.4075 53.5660 40.0456 176.9420 55 H 4.1104 8.2100 120.3658 58.2267 30.0565 174.4449 56 Y 4.6835 7.5156 114.8913 55.2434 41.3530 174.6009 57 D 4.4218 8.6085 121.0495 54.4902 41.6847 177.7140 58 S 4.2901 8.6804 120.1608 61.2326 62.8599 174.6600 59 H 4.8063 8.4009 116.1148 55.4410 29.1151 173.9863 60 N 4.8494 8.3302 120.7206 51.9069 40.0170 175.5813 61 Y 4.4787 8.5421 123.1926 59.9754 38.5846 178.0703 62 L 3.5123 7.7513 120.8679 56.5220 41.6532 178.7946 63 S 4.3295 8.0504 113.5783 59.9510 63.1366 175.3312 64 T 4.5197 8.0151 110.5366 61.7389 69.2614 173.7613 65 H 5.2031 7.4525 119.1670 54.7421 30.5038 174.5641 66 W 5.5033 9.0067 120.0740 55.3684 34.1378 173.6129 67 E 5.0569 9.7774 122.6064 54.8798 31.2847 174.8437 68 L 4.8228 8.7041 127.5321 53.9530 42.9930 175.6515 69 I 4.6935 8.2192 119.6192 59.0673 40.7986 174.4195 70 D 5.0472 8.6511 124.5574 54.1176 41.8459 175.1543 71 Y 4.5090 8.6455 125.1942 57.1221 39.1822 175.3864 72 K 4.1555 8.0713 124.8812 56.2418 33.1878 177.1115 73 G 3.5274 5.5295 107.0603 44.9374 0.0000 173.4987 74 K 4.4910 8.2405 118.6173 55.9205 32.2744 177.2224 75 E 4.0541 7.9041 117.1610 57.6080 29.1245 177.0549 76 Y 4.7763 7.4111 117.6086 57.9888 38.8944 177.5425 77 E 4.3341 8.2762 122.7494 58.9384 30.0018 179.4782 78 K 3.9773 8.2407 117.4588 59.2695 32.6080 177.5717 79 L 4.6665 7.2158 116.9361 54.1375 41.9736 177.4244 80 R 3.9404 7.9692 122.4051 57.5628 30.1131 176.3038 81 D 4.4322 9.0277 115.3304 55.1367 39.5535 173.7676 82 G 3.9122 8.4735 101.9901 45.7846 0.0000 174.6586 83 G 4.4423 7.9727 107.4669 44.6762 0.0000 172.8245 84 T 4.7677 8.3815 116.3318 61.5431 71.0945 174.1545 85 L 4.7456 8.5392 126.9181 54.8645 43.3186 176.6025 86 V 5.0175 8.9496 116.0649 60.3228 37.1867 173.5608 87 Q 4.6783 8.6779 118.6954 54.4017 33.5256 174.9342 88 F 4.9520 8.5359 120.3670 55.9846 40.9772 174.3448 89 K 5.2535 9.1909 126.4659 54.6709 34.0395 175.8687 90 V 3.9795 8.9510 127.3923 62.5013 32.8424 175.5604 91 V 3.9380 8.3922 127.4679 64.1737 31.8244 176.1696 92 G 3.9680 9.7357 114.2932 45.7005 0.0000 172.5775 93 A 4.5788 7.4861 119.8276 50.4726 22.6366 176.2698 94 A 4.4859 8.3365 121.7475 52.7152 18.8925 177.3134 95 K 5.1225 7.7667 119.8281 55.5864 36.4109 177.3911 96 C 5.7827 9.3046 119.7548 54.8020 43.2926 173.3645 97 F 4.8051 9.2723 124.3725 59.4426 40.1156 173.8766 98 A 4.3060 7.3437 124.4215 50.5099 22.9469 176.3766 99 F 4.3036 8.2746 119.1907 56.0115 38.2327 175.6219 100 L 4.7592 6.9478 120.5707 53.8253 47.2910 179.7704 101 G 4.1118 8.1008 110.4812 47.2632 0.0000 174.0799 102 K 4.3717 8.7220 122.2133 56.0916 31.9282 176.3585 103 G 3.9216 7.9375 108.0171 45.2996 0.0000 173.9324 104 T 5.1786 7.4288 108.4009 61.0762 72.3312 172.2384 105 T 4.5676 8.6948 115.9931 60.6799 71.9590 171.7888 106 D 4.8332 8.7438 122.7033 54.8203 41.3999 178.1660 107 C 4.4466 8.6980 122.8671 59.8299 40.4191 175.4693 108 K 3.8827 8.9562 118.5927 58.6778 32.2252 177.4344 109 D 4.6760 7.9625 121.3688 52.5327 39.6640 176.3642 110 T 3.7941 7.7746 112.9991 63.6622 69.3082 177.1480 111 D 4.1752 8.1294 120.7172 56.7110 40.8601 176.6241 112 H 4.6532 8.0325 113.7540 55.6416 29.4936 175.0665 113 T 4.7382 7.2735 107.4729 60.2715 70.5806 173.3900 114 V 4.1878 7.1574 124.0124 61.9316 32.8036 175.0307 115 F 4.9544 9.0895 126.2546 55.4612 43.4421 173.6785 116 N 5.3574 9.5662 117.5752 52.0444 41.8044 173.1537 117 L 4.7974 9.0632 128.0645 54.4583 43.3309 176.0832 118 I 4.8880 8.7525 125.6489 58.7714 39.1350 173.8566 119 P 4.6933 0.0000 0.0000 62.8135 32.8030 175.2193 120 T 4.7010 7.7298 109.7784 59.7121 71.9453 173.9399 121 N 4.6600 8.7033 117.1173 54.0179 37.4475 175.4403 122 T 4.3010 7.8256 108.0900 61.2672 70.1996 175.3466 123 G 3.7504 7.5905 109.0392 44.8309 0.0000 173.6052 124 A 4.3831 7.1222 120.5759 51.6099 19.6594 176.7284 125 F 5.0169 9.1123 116.9121 55.7985 43.2451 174.7217 126 L 5.3771 8.6601 120.9614 52.8751 44.4238 175.6922 127 I 5.1738 8.3284 121.2690 59.7383 40.8076 174.7275 128 K 5.8286 9.3203 126.0827 53.8818 35.8022 175.1394 129 D 4.6851 8.5768 120.8985 52.7455 40.6789 177.3095 130 A 3.7542 7.8799 123.0859 55.1101 18.4172 179.1921 131 L 3.9231 7.4763 116.2403 57.9100 42.2842 177.6837 132 L 4.1001 8.3298 115.9866 53.9621 42.4347 177.5725 133 G 3.9140 7.8027 105.5495 46.1771 0.0000 173.6061 134 F 4.9835 8.8151 118.8016 56.9275 40.9879 173.8992 135 C 5.5294 9.1620 117.9749 55.5604 42.7512 173.2954 136 I 4.8668 8.8299 124.6484 61.0309 37.6501 175.4536 137 T 4.9961 9.2601 116.7088 60.1769 72.8522 173.3478 138 S 4.7034 8.8778 117.4412 57.9761 64.8376 173.8681 139 H 4.5720 9.5430 124.8448 55.6612 29.3690 174.2283 140 D 4.2336 7.5062 117.8459 53.0316 43.7421 174.2440 141 F 4.3214 8.8263 119.5503 59.8507 39.0310 175.1634 142 D 4.5025 8.8530 123.5498 55.1318 39.1087 172.7168 143 D 4.8935 7.9056 117.5887 52.3856 42.5775 175.4520 144 L 4.9806 8.4122 128.7080 54.1940 44.5998 174.2760 145 K 4.8240 9.3354 125.1190 55.3979 37.0258 174.9807 146 L 5.0513 8.1718 122.6415 53.4110 43.1427 174.8966 147 E 4.6757 8.9495 124.5503 53.2583 33.2172 173.6881 148 P 3.8494 0.0000 0.0000 62.3361 32.0422 175.2843 149 C 5.0388 8.2587 118.1833 55.1623 42.7180 175.6503 150 G 3.7514 8.3799 110.1045 46.1980 0.0000 173.6864 151 G 4.0423 8.3262 114.3409 44.9366 0.0000 173.2161 152 S 4.3550 8.7705 116.9862 59.4911 62.8213 175.2767 153 V 4.2565 8.9251 118.9568 61.4006 31.8560 176.2760 154 S 4.3258 7.7111 117.0221 60.2609 62.8846 175.0328 155 G 3.9200 8.9116 112.2761 45.8699 0.0000 173.4152 156 R 4.3477 7.8633 118.5010 54.9039 31.5892 175.7811 157 T 4.5578 7.5827 109.7136 59.9914 70.8345 174.0558 158 F 4.6259 8.1946 121.1796 55.4880 43.0547 174.8897 159 S 4.5327 8.4850 118.4634 57.5021 64.1113 175.0774 160 L 3.9523 8.4710 119.6935 57.4940 41.5662 179.7017 161 A 3.9972 7.6507 119.8227 54.0877 18.4511 178.2380 162 Y 4.3876 8.2213 112.0165 58.2713 38.9117 174.9016 163 Q 4.9606 7.7228 120.2737 54.2124 31.1092 174.7835 164 W 5.0921 9.3926 122.5453 54.7882 33.6393 174.3259 165 G 4.3729 9.4509 110.9817 44.8247 0.0000 172.6935 166 I 4.6788 8.7383 126.5678 60.1006 37.4697 174.6256 167 L 4.9213 8.5399 126.8490 51.4832 45.6622 174.2445 168 P 4.7376 0.0000 0.0000 62.2562 31.9785 174.9462 169 P 4.3988 0.0000 0.0000 62.3788 31.8500 176.1016 170 F 4.0883 9.0317 126.9171 58.6185 40.1269 174.8378 171 G 2.6146 6.9289 112.4098 43.0436 0.0000 171.4223 172 P 4.2426 0.0000 0.0000 62.7497 32.1210 175.2260 173 S 4.4593 7.7126 111.5486 57.5127 65.1275 173.9740 174 K 4.5136 8.1999 122.2106 54.0668 34.1015 175.9480 175 I 3.7538 8.2643 126.7901 61.3938 37.5171 175.8316 176 L 4.1775 8.4202 125.5980 54.5354 42.1842 176.3557 177 I 4.4912 8.0673 123.6850 58.5920 39.6638 173.8003 178 P 4.4168 0.0000 0.0000 63.0181 31.2521 176.1120 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 25 D 8.35 4.59 0.00 2.69 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 26 P 0.00 4.39 0.00 2.24 2.08 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 27 T 8.14 4.03 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 1.24 0.00 0.00 28 T 8.33 3.87 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 0.56 0.00 0.00 29 Y 7.66 4.70 0.00 3.03 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 30 P 0.00 4.49 0.00 2.19 2.18 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 31 D 8.09 4.38 0.00 2.84 2.88 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 32 V 7.60 4.11 2.24 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 0.82 0.00 0.00 0.95 0.00 0.00 33 E 8.51 4.18 0.00 2.01 1.88 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 2.33 2.31 0.00 34 L 8.25 4.28 0.00 1.60 1.58 0.94 0.92 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 35 S 8.42 4.66 0.00 3.91 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 36 P 0.00 4.61 0.00 2.20 2.10 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 2.01 2.00 0.00 37 P 0.00 4.43 0.00 2.11 2.24 0.00 3.71 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 2.07 2.10 0.00 38 P 0.00 4.52 0.00 2.15 2.20 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 39 R 8.50 5.13 0.00 1.87 1.88 0.00 3.36 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 40 I 8.95 4.96 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 0.98 0.00 0.00 41 S 9.22 5.37 0.00 4.03 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 42 L 8.66 5.06 0.00 1.31 1.16 0.63 -0.86 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 43 R 8.68 5.44 0.00 1.81 1.75 0.00 3.22 0.00 0.00 3.35 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 44 S 8.44 3.13 0.00 2.95 3.37 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 45 L 8.00 4.07 0.00 1.37 1.58 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.49 4.01 0.00 1.46 1.40 0.84 0.77 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 47 T 7.47 3.76 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 1.01 0.00 0.00 48 A 8.04 3.71 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 49 Q 7.78 4.44 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 50 P 0.00 4.81 0.00 2.14 2.09 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 51 V 8.91 3.91 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 0.52 0.00 0.00 0.72 0.00 0.00 52 K 8.91 5.12 0.00 1.73 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.61 7.81 53 N 8.66 5.28 0.00 2.55 1.96 0.00 0.00 6.87 8.68 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 54 D 8.58 4.72 0.00 2.79 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 55 H 8.21 4.11 0.00 2.97 3.21 0.00 5.89 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 56 Y 7.52 4.68 0.00 2.87 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 57 D 8.61 4.42 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 58 S 8.68 4.29 0.00 3.94 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 59 H 8.40 4.81 0.00 3.41 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.33 4.85 0.00 2.67 2.80 0.00 0.00 6.92 7.38 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 61 Y 8.54 4.48 0.00 3.32 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 62 L 7.75 3.51 0.00 0.37 0.20 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.05 4.33 0.00 4.16 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 64 T 8.02 4.52 4.36 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 1.20 0.00 0.00 65 H 7.45 5.20 0.00 3.02 3.22 0.00 5.63 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 66 W 9.01 5.50 0.00 3.33 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 67 E 9.78 5.06 0.00 2.01 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 2.33 2.34 0.00 68 L 8.70 4.82 0.00 1.74 1.63 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.22 4.69 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.96 0.00 0.00 70 D 8.65 5.05 0.00 2.58 2.64 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 71 Y 8.65 4.51 0.00 2.89 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 72 K 8.07 4.16 0.00 1.54 1.67 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.27 7.81 73 G 5.53 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 4.49 0.00 1.67 1.77 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.27 1.28 7.81 75 E 7.90 4.05 0.00 1.73 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 1.47 1.47 0.00 76 Y 7.41 4.78 0.00 3.04 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 77 E 8.28 4.33 0.00 2.01 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 2.59 2.25 0.00 78 K 8.24 3.98 0.00 1.88 1.97 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.50 7.81 79 L 7.22 4.67 0.00 1.86 1.73 0.97 0.92 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 80 R 7.97 3.94 0.00 2.03 1.97 0.00 3.40 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 81 D 9.03 4.43 0.00 2.95 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 82 G 8.47 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 0.00 0.00 0.00 83 G 7.97 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 0.00 0.00 0.00 0.00 84 T 8.38 4.77 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 L 8.54 4.75 0.00 1.75 1.73 1.21 0.96 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 86 V 8.95 5.02 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 0.58 0.00 0.00 0.37 0.00 0.00 87 Q 8.68 4.68 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 88 F 8.54 4.95 0.00 2.44 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 89 K 9.19 5.25 0.00 1.95 1.81 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.59 7.81 90 V 8.95 3.98 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 0.77 0.00 0.00 0.96 0.00 0.00 91 V 8.39 3.94 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 0.86 0.00 0.00 0.95 0.00 0.00 92 G 9.74 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 93 A 7.49 4.58 0.96 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 0.00 0.00 94 A 8.34 4.49 1.30 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 0.00 0.00 95 K 7.77 5.12 0.00 1.67 1.73 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 96 C 9.30 5.78 0.00 2.88 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 97 F 9.27 4.81 0.00 1.90 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 98 A 7.34 4.31 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 99 F 8.27 4.30 0.00 3.07 3.06 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 0.00 100 L 6.95 4.76 0.00 1.55 1.42 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.10 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 0.00 102 K 8.72 4.37 0.00 2.04 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.36 7.81 103 G 7.94 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 0.00 104 T 7.43 5.18 4.42 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 1.52 0.00 0.00 105 T 8.69 4.57 4.20 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 1.20 0.00 0.00 106 D 8.74 4.83 0.00 2.77 2.55 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 0.00 107 C 8.70 4.45 0.00 3.03 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 0.00 108 K 8.96 3.88 0.00 1.83 1.90 0.00 1.95 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.46 7.81 109 D 7.96 4.68 0.00 2.78 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 0.00 110 T 7.77 3.79 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 1.29 0.00 0.00 111 D 8.13 4.18 0.00 2.53 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 0.00 112 H 8.03 4.65 0.00 3.10 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.27 4.74 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 1.29 0.00 0.00 114 V 7.16 4.19 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 0.55 0.00 0.00 -0.04 0.00 0.00 115 F 9.09 4.95 0.00 2.87 3.06 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 0.00 116 N 9.57 5.36 0.00 2.72 2.79 0.00 0.00 7.67 6.90 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 0.00 117 L 9.06 4.80 0.00 1.61 1.50 0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.75 4.89 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.27 0.95 0.00 0.00 119 P 0.00 4.69 0.00 2.08 2.22 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 120 T 7.73 4.70 4.21 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 1.22 0.00 0.00 121 N 8.70 4.66 0.00 2.84 2.96 0.00 0.00 5.84 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 0.00 122 T 7.83 4.30 4.20 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 1.19 0.00 0.00 123 G 7.59 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 0.00 0.00 0.00 124 A 7.12 4.38 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 0.00 125 F 9.11 5.02 0.00 3.10 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 0.00 126 L 8.66 5.38 0.00 1.65 1.55 0.79 -0.59 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 0.00 127 I 8.33 5.17 1.54 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.92 0.00 0.00 128 K 9.32 5.83 0.00 1.75 1.84 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.25 7.81 129 D 8.58 4.69 0.00 2.31 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 0.00 130 A 7.88 3.75 0.55 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 0.00 131 L 7.48 3.92 0.00 1.29 1.40 0.97 0.76 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 0.00 132 L 8.33 4.10 0.00 1.10 0.53 0.20 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.80 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 0.00 0.00 0.00 134 F 8.82 4.98 0.00 3.04 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 0.00 135 C 9.16 5.53 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 0.00 136 I 8.83 4.87 1.63 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.78 0.00 0.00 137 T 9.26 5.00 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 0.54 0.00 0.00 138 S 8.88 4.70 0.00 4.02 3.45 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 0.00 139 H 9.54 4.57 0.00 3.08 3.30 0.00 5.94 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 0.00 140 D 7.51 4.23 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 4.32 0.00 3.10 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 0.00 142 D 8.85 4.50 0.00 2.88 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 0.00 143 D 7.91 4.89 0.00 2.68 2.82 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 0.00 144 L 8.41 4.98 0.00 1.78 1.67 1.15 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 K 9.34 4.82 0.00 1.83 1.91 0.00 1.34 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.39 1.40 7.81 146 L 8.17 5.05 0.00 0.49 1.21 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.95 4.68 0.00 1.91 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 2.13 2.24 0.00 148 P 0.00 3.85 0.00 1.69 1.61 0.00 3.33 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.86 0.00 149 C 8.26 5.04 0.00 3.22 3.34 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 0.00 150 G 8.38 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 0.00 0.00 0.00 151 G 8.33 4.04 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 0.00 0.00 0.00 152 S 8.77 4.35 0.00 3.88 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 0.00 153 V 8.93 4.26 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 0.84 0.00 0.00 1.02 0.00 0.00 154 S 7.71 4.33 0.00 3.91 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 0.00 155 G 8.91 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 0.00 156 R 7.86 4.35 0.00 1.96 1.34 0.00 3.14 0.00 0.00 3.49 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 157 T 7.58 4.56 4.12 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 1.13 0.00 0.00 158 F 8.19 4.63 0.00 2.93 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 0.00 159 S 8.48 4.53 0.00 4.06 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 0.00 160 L 8.47 3.95 0.00 1.65 1.64 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.65 4.00 0.95 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 0.00 0.00 162 Y 8.22 4.39 0.00 3.19 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 0.00 163 Q 7.72 4.96 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 164 W 9.39 5.09 0.00 3.41 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 0.00 165 G 9.45 4.37 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 0.00 166 I 8.74 4.68 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.46 0.91 0.00 0.00 167 L 8.54 4.92 0.00 1.64 1.60 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.74 0.00 1.94 2.00 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 169 P 0.00 4.40 0.00 1.53 1.87 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 170 F 9.03 4.09 0.00 3.06 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 0.00 171 G 6.93 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 0.00 0.00 0.00 172 P 0.00 4.24 0.00 1.99 1.79 0.00 2.20 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 173 S 7.71 4.46 0.00 3.88 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 0.00 174 K 8.20 4.51 0.00 1.67 1.67 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.39 7.81 175 I 8.26 3.75 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.90 0.00 0.00 176 L 8.42 4.18 0.00 1.63 1.60 0.92 0.81 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 0.00 177 I 8.07 4.49 1.87 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 1.46 0.79 0.91 0.00 0.00 178 P 0.00 4.42 0.00 2.17 2.03 0.00 3.79 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 1.98 1.95 0.00