NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8092 8.3544 109.7195 44.8117 0.0000 173.3338 4 D 4.1168 8.6425 122.5189 53.6223 41.6253 175.9237 5 K 3.9595 9.5874 128.6279 59.3048 33.8023 178.3540 6 K 3.9632 8.7860 118.7545 58.7002 32.0849 179.0794 7 V 3.6828 8.1276 118.1954 66.5388 31.3485 178.1178 8 I 3.9236 7.5602 119.0374 64.3126 36.9712 178.2852 9 Q 3.9755 7.7606 120.7261 59.2369 28.8004 177.9531 10 H 4.2620 8.2313 117.4582 58.6394 28.7161 177.6854 11 L 3.9952 8.4507 121.1502 58.0714 41.5252 179.3662 12 N 4.2111 8.1409 116.2807 56.0831 38.3599 177.4961 13 K 3.9495 7.8711 120.7098 59.4777 32.3506 178.9744 14 I 3.7047 8.1981 120.5835 64.3430 37.0440 177.9934 15 L 4.0549 8.7689 121.7981 58.3039 41.7503 179.4005 16 G 3.6115 8.1054 105.6066 47.5968 0.0000 175.5246 17 N 4.3339 8.0133 118.3811 56.2205 38.5550 177.3007 18 E 3.9380 8.2799 119.8885 59.4993 29.7493 179.4091 19 L 4.0726 7.9498 118.8476 57.8076 41.5964 179.7903 20 I 3.7720 7.5099 119.3693 63.9831 36.9551 178.2345 21 A 3.2560 7.8153 121.5933 54.8623 18.1602 179.4519 22 I 3.7560 7.8459 118.7059 64.9271 37.1802 178.4805 23 N 4.3888 7.6413 115.9106 56.1468 38.3188 177.4769 24 Q 3.8712 8.0562 120.9580 59.5535 29.2682 177.8919 25 Y 4.9809 8.6729 120.1733 60.5157 37.8218 178.4866 26 F 4.0126 8.3795 121.8747 61.0471 39.5792 177.0233 27 L 4.0032 8.4553 120.4236 58.5863 41.8444 178.4907 28 H 3.8350 8.2954 116.1208 58.8938 28.6154 177.5430 29 S 4.3235 8.0451 114.6761 61.7727 62.2040 176.5887 30 R 3.8740 7.8252 120.4206 59.0181 29.7309 179.0626 31 M 3.4762 7.8260 118.8695 57.8938 31.8497 178.7097 32 W 4.4561 7.8854 119.1220 59.9116 29.3469 178.3116 33 N 4.3829 8.3676 116.4637 56.4378 37.7575 176.9556 34 D 4.3452 7.9140 118.3899 57.0000 41.3816 177.8096 35 W 4.7919 7.9196 117.6915 57.6526 29.2584 177.2938 36 G 4.0454 8.0577 106.7722 45.4975 0.0000 174.8591 37 L 4.5929 8.0925 122.2099 53.4738 40.2637 177.4774 38 K 4.0950 8.5083 120.9030 58.3964 32.4935 178.9502 39 R 3.9083 7.9287 119.8107 59.1920 29.9545 178.2265 40 L 3.7778 7.7468 118.4769 57.5777 41.4950 179.3706 41 G 3.8622 8.4280 105.7454 48.0124 0.0000 175.5728 42 A 4.0445 8.1142 123.1896 54.9026 18.3833 179.1044 43 H 3.9366 8.2229 116.7616 59.5655 29.9381 176.9698 44 E 3.9671 8.5824 121.3398 59.6331 29.4006 178.1888 45 Y 4.0518 8.1883 119.5268 60.9996 38.7108 177.7962 46 H 4.0752 8.1430 116.9038 58.4429 28.7903 177.5497 47 E 3.8423 8.3616 120.9476 59.3250 29.1818 179.2407 48 S 4.2225 8.2366 112.9828 61.5678 62.6293 175.9395 49 I 3.5322 7.3623 122.4228 64.5982 36.9963 177.5686 50 D 4.2571 8.2260 118.7716 57.6958 40.8580 178.4395 51 E 4.0849 8.1704 118.7043 59.6817 29.3234 179.2217 52 M 4.0105 8.2394 118.9023 58.1601 31.9098 178.7493 53 K 4.0615 7.8911 118.3098 58.9100 32.2831 179.1484 54 H 4.2298 7.9243 116.2371 58.9352 28.7304 177.2198 55 A 4.0002 8.1891 122.7577 55.6163 18.0880 179.2397 56 D 4.2723 7.7947 116.1933 57.5231 41.3518 178.6986 57 K 4.0733 7.9739 118.6011 59.2236 31.9688 179.4834 58 L 4.0326 8.0257 119.5605 57.8303 41.5756 179.5059 59 I 3.7443 7.9006 119.7912 64.3697 36.9855 178.4227 60 E 4.0064 8.2259 119.5371 59.2154 29.2118 179.3743 61 R 3.9773 8.0200 118.7315 59.5371 30.2110 178.1771 62 I 3.7033 7.8763 119.6205 64.8942 37.1948 178.2795 63 L 4.0358 7.9832 119.2442 57.8922 41.2080 179.5639 64 F 4.3970 8.1723 119.9642 60.9483 39.3233 176.4969 65 L 4.0254 7.8856 116.1703 54.1769 41.3126 176.6074 66 E 3.7197 7.6450 116.1643 57.2468 27.6553 174.9700 67 G 3.9924 7.6727 108.8958 44.0575 0.0000 173.1412 68 L 4.6165 8.0571 119.1988 51.9714 43.2520 174.9639 69 P 4.3064 0.0000 0.0000 62.4973 31.7130 175.9861 70 N 4.6364 9.2984 123.0095 52.4926 38.0140 174.3133 71 L 4.5041 8.1725 124.3110 54.5820 42.6692 177.7275 72 Q 4.0813 8.1659 120.5215 58.1430 29.3193 175.7244 73 D 4.5189 8.1232 117.9103 53.1466 41.4923 175.1850 74 L 4.4988 8.3412 126.3511 52.7215 43.3640 176.3093 75 G 3.9044 8.4888 116.1561 45.5504 0.0000 170.6836 76 K 4.2897 8.3235 121.0431 54.6018 32.4683 176.8761 77 L 4.0689 8.4090 127.3529 54.7224 42.0151 177.4119 78 L 4.3931 8.3469 124.4853 53.3779 40.5630 174.7652 79 I 4.3049 7.9538 123.4384 59.2791 38.2366 176.6541 80 G 4.0285 8.6749 115.1847 44.9961 0.0000 172.3951 81 E 4.8968 8.7830 114.2380 54.7649 30.3255 175.5607 82 N 4.6694 7.9763 115.0805 51.7177 40.8914 174.6465 83 T 4.4851 8.6911 118.3307 67.3910 68.6254 176.4364 84 Q 3.9505 8.1951 120.5384 59.3379 29.1740 177.9209 85 E 4.0465 8.8110 119.8174 59.5658 29.4416 179.3490 86 M 3.9641 8.2570 118.7531 58.2671 31.9910 178.6116 87 L 4.1073 8.0453 119.1278 57.9885 41.7855 179.3511 88 Q 3.9765 7.9383 118.7399 59.4619 29.0109 178.1460 89 C 4.1671 8.7351 118.0122 63.1459 28.1853 175.8396 90 D 4.7236 8.7610 120.7844 57.2815 40.3237 178.8598 91 L 3.9204 8.0982 120.8102 58.2068 42.3076 178.3494 92 N 4.2835 8.8049 116.9882 56.6577 38.6121 176.8674 93 L 3.9979 8.0600 121.2016 58.4738 41.9872 178.7621 94 E 4.2475 8.1351 117.6277 58.7042 29.4679 179.0047 95 L 4.0374 8.1386 119.5106 57.4821 41.7882 179.4099 96 K 3.9159 8.0887 119.1764 59.5553 32.2982 178.6820 97 A 4.0626 8.0965 120.9773 55.6625 18.0786 179.7507 98 T 3.9606 7.8441 113.9714 66.3494 68.6177 177.1244 99 K 3.9760 7.8313 121.5527 59.6630 32.1947 178.7580 100 D 4.4276 8.0864 118.8344 56.8733 40.7548 178.5228 101 L 3.9357 7.8712 121.0146 58.2049 42.1329 179.2477 102 R 3.9176 7.7859 117.6390 59.2973 29.9245 178.7960 103 E 3.9301 8.1059 117.8520 59.5816 29.5301 179.4678 104 A 3.6004 8.2713 120.7726 54.8540 18.3269 179.7917 105 I 3.7111 7.6016 118.6379 64.2722 37.1307 178.6312 106 V 3.5196 7.7428 119.1740 66.3746 31.4384 177.3718 107 H 4.0278 7.9661 117.5603 59.6784 29.6342 176.8962 108 C 4.0991 8.1554 118.3275 62.8123 27.6976 175.7571 109 E 4.0734 8.2115 120.9569 59.1836 28.9876 178.5197 110 Q 4.0095 7.8987 118.8355 57.9946 29.2090 177.2317 111 V 3.9571 7.2398 110.7884 60.6023 31.8690 175.7988 112 H 3.1764 7.1860 114.1821 56.8698 26.8051 176.4342 113 D 4.4966 7.4203 121.2483 53.5298 37.9922 176.1472 114 Y 4.3612 7.2973 121.1035 60.4299 38.5905 177.7474 115 V 3.7271 7.8443 119.2188 65.9772 31.7082 178.0567 116 S 4.2088 8.6654 115.1313 61.4856 62.5145 176.6060 117 R 4.0094 7.8778 121.1894 59.0876 29.9493 178.0567 118 D 4.3009 7.9798 117.7086 56.9563 41.3748 177.6085 119 L 3.9445 7.7622 120.5309 58.5884 41.9746 179.2242 120 L 4.1224 7.9530 120.6097 58.1222 41.5076 180.2233 121 K 3.9964 8.4505 124.2478 59.7160 31.6735 181.7694 122 D 4.5477 7.9875 119.4999 57.5571 40.8331 178.9122 123 I 3.5079 7.5591 119.7730 64.1171 37.0266 178.1346 124 L 3.9317 8.0473 121.3064 58.3669 41.8872 178.7896 125 E 4.0711 8.3049 119.1052 59.3047 29.5130 178.7178 126 S 4.1442 8.0897 113.1368 61.2990 62.4743 175.9141 127 E 4.2217 8.4078 121.3115 59.0494 29.1329 179.0636 128 E 4.0406 8.8112 119.4501 59.3950 29.5380 178.9845 129 E 4.0103 8.5746 118.9654 59.5855 29.3999 178.9982 130 H 4.3633 8.2834 118.2400 59.4975 29.9743 177.2376 131 I 3.6809 7.9591 121.6466 64.4772 36.9202 177.8147 132 D 4.3079 8.4627 118.9614 57.5529 41.0768 177.4971 133 Y 4.1414 8.1782 119.9223 60.8629 38.7354 178.3142 134 L 3.6686 8.0734 119.7288 57.8144 41.7661 179.4238 135 E 3.8985 8.2977 118.6182 59.5583 29.3244 179.3586 136 T 3.8070 7.7447 115.8016 66.7558 68.4221 176.5735 137 Q 3.7469 7.5193 119.5870 58.8457 28.5942 178.6831 138 L 3.8514 7.7625 120.0422 57.8696 41.6602 179.9689 139 G 3.5551 8.4347 105.8203 47.6649 0.0000 175.7874 140 L 3.9945 8.1395 121.6758 57.5104 41.6271 179.2492 141 I 3.5506 7.5326 120.1288 64.6398 36.8301 178.2698 142 Q 3.9387 7.3954 117.0253 59.1303 28.6711 178.9886 143 K 4.1503 8.0531 117.9841 58.5927 32.1965 178.8981 144 V 4.2788 8.0955 110.1358 59.5740 33.7038 176.7393 145 G 4.0448 7.7165 106.8269 45.0085 0.0000 174.5408 146 L 4.0001 8.6608 123.1309 57.9967 42.0225 179.4530 147 E 3.9800 8.0899 117.9730 59.4255 29.4732 178.8203 148 N 4.2853 8.1274 115.9321 56.4968 38.4986 176.2730 149 Y 4.0176 7.7631 119.3910 61.0462 39.0586 178.2236 150 L 4.0667 8.2024 119.4894 57.5802 41.7235 178.9028 151 Q 3.9263 8.2878 119.9764 59.5995 28.7295 178.6885 152 S 4.3502 7.9764 111.7916 59.5028 62.8713 174.1655 153 H 4.7370 8.0899 118.8767 55.6809 30.2679 175.6778 154 M 4.0848 8.1770 121.9955 58.3030 31.9166 176.1206 155 H 5.1982 7.5543 113.7189 53.6321 31.0958 174.5310 156 E 4.1335 8.7081 121.3008 56.8049 29.2706 176.8958 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 3 G 8.35 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 4 D 8.64 4.12 0.00 2.82 2.60 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 5 K 9.59 3.96 0.00 1.81 1.77 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 6 K 8.79 3.96 0.00 1.91 1.48 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.37 7.81 7 V 8.13 3.68 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 1.04 0.00 0.00 1.00 0.00 0.00 8 I 7.56 3.92 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.90 0.00 0.00 9 Q 7.76 3.98 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 10 H 8.23 4.26 0.00 3.45 3.29 0.00 5.68 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 11 L 8.45 4.00 0.00 1.65 1.74 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.14 4.21 0.00 2.98 2.86 0.00 0.00 6.73 7.23 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 13 K 7.87 3.95 0.00 1.95 1.97 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.20 3.70 1.99 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 1.73 0.86 0.92 0.00 0.00 15 L 8.77 4.05 0.00 1.77 1.89 0.92 1.23 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 16 G 8.11 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 0.00 0.00 0.00 17 N 8.01 4.33 0.00 2.92 2.88 0.00 0.00 6.97 8.60 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 18 E 8.28 3.94 0.00 2.11 1.99 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 2.49 2.53 0.00 19 L 7.95 4.07 0.00 1.80 1.68 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.51 3.77 1.94 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 1.42 1.10 0.90 0.00 0.00 21 A 7.82 3.26 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 22 I 7.85 3.76 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.86 0.00 0.00 23 N 7.64 4.39 0.00 2.87 2.84 0.00 0.00 6.75 7.62 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 24 Q 8.06 3.87 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 25 Y 8.67 4.98 0.00 3.07 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 26 F 8.38 4.01 0.00 3.37 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 27 L 8.46 4.00 0.00 1.87 1.68 0.88 0.92 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 28 H 8.30 3.83 0.00 3.54 2.99 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.05 4.32 0.00 4.07 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 30 R 7.83 3.87 0.00 1.98 1.87 0.00 2.96 0.00 0.00 2.66 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 31 M 7.83 3.48 0.00 0.86 1.56 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.18 0.00 32 W 7.89 4.46 0.00 3.61 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 33 N 8.37 4.38 0.00 2.86 2.84 0.00 0.00 6.67 7.70 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 34 D 7.91 4.35 0.00 2.59 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 35 W 7.92 4.79 0.00 3.71 3.15 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 0.00 0.00 0.00 0.00 36 G 8.06 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 0.00 0.00 0.00 0.00 37 L 8.09 4.59 0.00 1.94 1.60 1.26 0.89 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 38 K 8.51 4.10 0.00 2.02 1.85 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 39 R 7.93 3.91 0.00 1.96 1.91 0.00 3.03 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.75 3.78 0.00 1.23 0.13 0.28 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.43 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 42 A 8.11 4.04 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 43 H 8.22 3.94 0.00 3.32 3.21 0.00 5.80 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 44 E 8.58 3.97 0.00 2.58 2.28 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 2.72 2.80 0.00 45 Y 8.19 4.05 0.00 3.02 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 46 H 8.14 4.08 0.00 3.31 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.36 3.84 0.00 2.07 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 2.24 2.18 0.00 48 S 8.24 4.22 0.00 4.12 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 49 I 7.36 3.53 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 0.81 0.00 0.00 50 D 8.23 4.26 0.00 3.03 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 E 8.17 4.08 0.00 2.22 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 2.75 2.57 0.00 52 M 8.24 4.01 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 53 K 7.89 4.06 0.00 1.91 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.57 7.81 54 H 7.92 4.23 0.00 3.39 3.33 0.00 5.67 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 55 A 8.19 4.00 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.79 4.27 0.00 2.90 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 57 K 7.97 4.07 0.00 1.95 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.64 7.81 58 L 8.03 4.03 0.00 1.89 1.72 0.96 0.79 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 59 I 7.90 3.74 2.03 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 0.93 0.92 0.00 0.00 60 E 8.23 4.01 0.00 2.17 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 2.34 2.72 0.00 61 R 8.02 3.98 0.00 2.07 2.12 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 7.88 3.70 2.05 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 1.54 0.69 0.95 0.00 0.00 63 L 7.98 4.04 0.00 2.09 1.79 0.93 1.11 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 64 F 8.17 4.40 0.00 2.94 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 65 L 7.89 4.03 0.00 1.78 1.60 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.64 3.72 0.00 2.00 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 2.20 2.16 0.00 67 G 7.67 3.99 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 0.00 0.00 0.00 68 L 8.06 4.62 0.00 1.59 1.58 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.31 0.00 2.04 1.99 0.00 3.66 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 2.03 2.08 0.00 70 N 9.30 4.64 0.00 2.65 2.79 0.00 0.00 7.16 7.79 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 71 L 8.17 4.50 0.00 1.63 1.66 0.91 0.95 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 72 Q 8.17 4.08 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 73 D 8.12 4.52 0.00 2.69 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 L 8.34 4.50 0.00 1.52 1.53 0.91 1.05 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 75 G 8.49 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 0.00 0.00 0.00 76 K 8.32 4.29 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.51 7.81 77 L 8.41 4.07 0.00 1.64 1.57 0.88 1.01 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 78 L 8.35 4.39 0.00 1.84 1.68 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.95 4.30 1.89 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 1.34 0.80 0.92 0.00 0.00 80 G 8.67 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 81 E 8.78 4.90 0.00 2.14 2.06 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 2.44 2.24 0.00 82 N 7.98 4.67 0.00 2.88 2.83 0.00 0.00 6.12 7.22 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 83 T 8.69 4.49 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 1.50 0.00 0.00 84 Q 8.20 3.95 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 85 E 8.81 4.05 0.00 2.22 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 2.37 0.00 86 M 8.26 3.96 0.00 1.44 2.23 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.14 0.00 87 L 8.05 4.11 0.00 1.89 1.71 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.94 3.98 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.74 4.17 0.00 3.28 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 90 D 8.76 4.72 0.00 2.92 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 91 L 8.10 3.92 0.00 1.87 1.91 0.93 0.50 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 92 N 8.80 4.28 0.00 2.91 2.91 0.00 0.00 6.72 7.17 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 93 L 8.06 4.00 0.00 1.94 2.02 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.14 4.25 0.00 2.22 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 0.00 2.71 2.52 0.00 95 L 8.14 4.04 0.00 1.91 1.74 0.94 0.41 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 96 K 8.09 3.92 0.00 1.92 1.82 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.10 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 98 T 7.84 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 1.26 0.00 0.00 99 K 7.83 3.98 0.00 1.81 1.93 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.49 7.81 100 D 8.09 4.43 0.00 2.79 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 0.00 101 L 7.87 3.94 0.00 2.06 1.67 0.92 1.01 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 0.00 102 R 7.79 3.92 0.00 2.03 1.97 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 103 E 8.11 3.93 0.00 2.21 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 2.35 2.41 0.00 104 A 8.27 3.60 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 0.00 105 I 7.60 3.71 2.04 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 0.87 0.93 0.00 0.00 106 V 7.74 3.52 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 1.01 0.00 0.00 1.02 0.00 0.00 107 H 7.97 4.03 0.00 3.28 3.27 0.00 5.84 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 0.00 108 C 8.16 4.10 0.00 3.20 3.11 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 0.00 109 E 8.21 4.07 0.00 2.18 2.16 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 0.00 2.37 2.45 0.00 110 Q 7.90 4.01 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 111 V 7.24 3.96 1.96 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 0.63 0.00 0.00 0.88 0.00 0.00 112 H 7.19 3.18 0.00 3.10 3.04 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.42 4.50 0.00 2.65 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 0.00 114 Y 7.30 4.36 0.00 3.09 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 0.00 115 V 7.84 3.73 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.67 4.21 0.00 4.27 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 0.00 117 R 7.88 4.01 0.00 1.93 2.16 0.00 3.23 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 7.98 4.30 0.00 2.88 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 0.00 119 L 7.76 3.94 0.00 1.96 1.86 0.94 0.48 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 0.00 120 L 7.95 4.12 0.00 1.86 1.70 0.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.45 4.00 0.00 1.74 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 122 D 7.99 4.55 0.00 2.93 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 0.00 123 I 7.56 3.51 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.82 0.00 0.00 124 L 8.05 3.93 0.00 1.85 1.84 0.94 1.06 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 0.00 125 E 8.30 4.07 0.00 2.10 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 2.33 2.34 0.00 126 S 8.09 4.14 0.00 4.04 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 0.00 127 E 8.41 4.22 0.00 2.09 2.34 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 2.69 2.48 0.00 128 E 8.81 4.04 0.00 2.22 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 2.36 2.38 0.00 129 E 8.57 4.01 0.00 2.22 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 2.38 2.37 0.00 130 H 8.28 4.36 0.00 3.30 3.54 0.00 5.62 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 0.00 131 I 7.96 3.68 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.93 0.00 0.00 132 D 8.46 4.31 0.00 2.91 2.89 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 0.00 133 Y 8.18 4.14 0.00 3.20 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 0.00 134 L 8.07 3.67 0.00 1.96 1.64 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.30 3.90 0.00 1.97 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 2.29 2.55 0.00 136 T 7.74 3.81 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 1.19 0.00 0.00 137 Q 7.52 3.75 0.00 1.85 1.76 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 1.16 2.11 0.00 138 L 7.76 3.85 0.00 1.78 1.62 0.82 0.80 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 0.00 139 G 8.43 3.56 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 0.00 0.00 0.00 140 L 8.14 3.99 0.00 1.79 1.87 1.04 0.67 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 0.00 141 I 7.53 3.55 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.32 0.82 0.00 0.00 142 Q 7.40 3.94 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 143 K 8.05 4.15 0.00 1.73 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.76 7.81 144 V 8.10 4.28 2.12 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 0.79 0.00 0.00 1.09 0.00 0.00 145 G 7.72 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 0.00 146 L 8.66 4.00 0.00 1.76 1.68 0.94 0.96 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 0.00 147 E 8.09 3.98 0.00 2.06 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 2.40 2.40 0.00 148 N 8.13 4.29 0.00 2.91 2.88 0.00 0.00 6.68 7.48 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 0.00 149 Y 7.76 4.02 0.00 3.04 3.20 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 0.00 150 L 8.20 4.07 0.00 1.89 1.73 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.29 3.93 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 152 S 7.98 4.35 0.00 3.56 3.66 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 0.00 153 H 8.09 4.74 0.00 2.98 3.01 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.18 4.08 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.47 0.00 155 H 7.55 5.20 0.00 3.09 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.71 4.13 0.00 1.95 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 2.31 2.30 0.00