NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6002 8.3649 120.5261 54.1813 42.2826 175.7322 2 C 4.3570 8.3812 118.2657 55.0937 42.5089 171.6604 3 P 4.4620 0.0000 0.0000 62.0642 32.5189 175.8310 4 S 4.3794 8.4688 115.2862 60.2235 62.5640 174.6791 5 G 4.0290 9.2860 115.9442 44.6094 0.0000 172.8999 6 W 4.9867 8.0577 118.6640 55.1894 31.6969 175.6441 7 S 5.0677 9.6497 118.5563 57.0920 65.2695 173.1357 8 S 5.4622 8.7121 117.6264 57.2905 64.4140 172.9391 9 Y 4.2630 9.0818 125.5662 57.8321 41.6677 174.4134 10 E 3.5222 9.1227 126.9236 57.1656 27.1907 175.9586 11 G 3.9199 8.3677 105.7971 45.6590 0.0000 173.6457 12 H 4.9341 8.2333 117.0692 54.3430 31.3081 172.5001 13 C 5.8661 8.7450 118.0530 55.6716 38.2207 173.1239 14 Y 5.6940 9.9860 120.2964 56.4276 42.1051 174.6974 15 K 4.4181 8.8308 123.4111 54.3108 35.5183 173.4159 16 P 4.7702 0.0000 0.0000 62.3514 33.0669 175.5368 17 F 4.3055 8.5319 120.2307 54.9682 42.3741 176.0709 18 K 4.1724 8.0268 127.0922 55.6084 31.1595 176.3688 19 L 4.5150 6.6901 119.1099 52.9530 45.7562 177.2595 20 Y 4.8579 8.4203 120.8791 56.9682 38.4605 174.9616 21 K 4.9633 9.0227 123.2668 54.4441 37.1943 176.7086 22 T 5.5418 8.3813 111.4677 60.4207 70.0326 175.3755 23 W 2.5400 7.9768 131.1462 60.2362 30.3320 177.6808 24 D 4.4247 8.0426 118.0945 57.7648 40.2556 178.5850 25 D 4.2630 7.8274 118.4492 56.9357 40.6784 178.7773 26 A 2.9932 7.6677 121.7162 54.5874 18.2208 179.2721 27 E 3.2851 7.3142 117.9947 59.0995 29.3649 178.9137 28 R 3.7199 7.3176 117.3400 59.3315 30.5081 177.6765 29 F 4.1157 8.1699 120.5877 61.7298 39.2935 176.4882 30 C 4.2917 8.2720 116.2468 60.1291 39.7611 176.1679 31 T 4.2421 7.5919 111.5564 63.4029 68.3515 175.3201 32 E 4.3445 7.4256 119.0778 56.5729 30.0919 177.0166 33 Q 4.2020 7.6383 118.0212 56.6595 29.7043 175.4139 34 A 4.3800 6.8878 119.9736 50.5178 21.8515 175.1988 35 K 4.0577 8.3847 122.4779 57.7747 32.5246 177.3157 36 G 3.8471 8.9510 114.0660 45.4236 0.0000 173.3079 37 G 3.8826 7.9067 107.2494 46.7018 0.0000 172.9187 38 H 5.0958 8.8044 118.1514 54.1169 34.1231 173.0095 39 L 4.6265 8.6871 120.2901 54.5078 42.3230 178.1111 40 V 4.1393 8.8390 122.3502 62.3720 32.4032 175.1307 41 S 4.9429 9.2972 118.7581 56.5981 64.5750 174.0458 42 I 4.5751 8.2887 125.7226 60.1421 36.8078 174.8058 43 E 4.6775 9.4166 123.7948 56.0732 30.0560 176.6556 44 S 4.6709 7.6203 113.0562 56.2819 66.6832 175.4246 45 A 4.1136 8.5977 124.2997 55.2542 18.1063 180.1713 46 G 3.6662 8.1447 103.8223 48.0714 0.0000 175.4212 47 E 3.6259 8.4016 121.2759 58.6306 29.5889 178.6999 48 A 4.1047 8.2399 121.1237 55.3727 18.5502 179.3973 49 D 4.2763 8.3979 117.6357 57.2292 40.7666 178.7999 50 F 3.8834 7.9228 121.1873 61.2700 39.2839 177.3902 51 V 3.0884 7.8754 117.8465 65.6795 31.1894 177.7172 52 A 4.2192 8.0643 122.0308 54.6954 18.2167 179.4665 53 Q 3.7847 7.8253 117.8748 58.9810 29.1091 177.9507 54 L 3.6013 7.5260 121.6593 57.9916 41.9328 179.2440 55 V 3.1837 7.7322 118.3813 66.1651 31.1963 177.9097 56 T 3.8635 7.5762 114.3485 66.8493 68.4109 175.8684 57 E 4.1797 8.0491 118.5544 57.6629 29.7968 177.0282 58 N 4.8047 7.7786 113.5956 52.7342 40.6034 174.9589 59 I 4.2266 7.5393 119.2583 58.8680 36.8231 174.5531 60 Q 4.5914 7.7909 122.6273 54.5896 31.3223 175.1832 61 N 4.8495 8.6261 114.4139 54.6260 36.2333 175.5121 62 T 4.3701 7.5049 108.0926 61.2076 69.8679 174.5261 63 K 3.7848 8.1458 120.3954 57.1503 29.7036 173.5988 64 S 4.4149 7.5760 111.6960 57.4248 67.2182 173.1248 65 Y 4.7219 8.1935 119.0770 57.6094 39.5868 175.5315 66 V 4.5134 8.6655 119.7309 60.7147 33.6251 174.9233 67 W 5.3602 8.9117 128.7121 57.3335 30.1909 175.3090 68 I 4.8917 8.7640 116.1413 58.8456 40.6645 176.2989 69 G 3.8996 9.2618 110.9029 46.1948 0.0000 173.2898 70 L 4.3620 7.2197 122.7913 53.5211 42.7121 175.7242 71 R 4.3581 7.7287 120.6423 54.8308 31.8673 174.3225 72 V 3.5712 7.7780 119.2884 62.3012 31.4163 175.0797 73 Q 3.7665 8.5245 129.3455 59.5556 29.1241 177.2501 74 G 3.9328 7.4686 105.6604 45.1536 0.0000 172.6315 75 K 4.3787 8.1286 117.2352 55.9305 32.4462 177.1965 76 E 4.0844 7.7702 118.6412 56.2799 29.9609 178.4340 77 K 3.6837 8.5537 120.6393 58.4247 32.3815 177.2868 78 Q 4.4446 7.3520 113.5675 55.3484 30.9992 173.7845 79 C 4.5269 8.4859 115.0046 59.4166 29.2529 174.4576 80 S 4.4073 7.7687 115.4151 57.0587 62.6385 174.9360 81 S 4.3770 8.1320 126.5030 55.5454 61.0450 173.8555 82 E 5.1325 6.9473 119.7145 55.7388 32.7671 175.9264 83 W 4.4311 8.6980 127.2789 55.8775 30.0232 177.4156 84 S 4.3541 8.8146 113.9655 60.8551 62.5918 174.8169 85 D 4.5357 8.2006 118.9914 53.7757 39.6659 176.5227 86 G 4.1253 8.1631 109.1101 46.0189 0.0000 174.5845 87 S 4.3804 9.2170 114.9934 58.0189 63.6086 174.0704 88 S 4.6499 8.4311 116.6565 57.7419 64.0842 173.8733 89 V 4.3955 8.1473 120.6389 61.7324 30.7813 174.6347 90 S 4.8380 8.7856 120.0253 57.6953 63.5399 173.2895 91 Y 4.8596 7.8475 120.9115 56.7438 41.4631 173.7163 92 E 4.4507 7.7989 124.8842 55.1496 34.1567 174.9156 93 N 4.8920 7.7383 117.6095 52.1499 39.0945 174.8477 94 W 4.2604 7.9465 117.9421 56.6455 30.5224 176.5782 95 I 4.1580 8.3312 122.6594 60.5861 37.8632 176.5003 96 E 3.7453 9.0925 125.0931 59.5880 29.3176 179.3265 97 A 3.0358 7.3895 118.5603 53.9885 18.4291 177.8526 98 E 4.1887 7.9413 114.2320 57.2686 30.0906 176.6542 99 S 3.9358 7.8719 114.6765 56.8894 61.3440 172.5145 100 K 4.6932 8.0948 128.9839 55.1763 30.8939 176.0639 101 T 4.4675 7.8727 109.9832 61.2745 70.5372 174.7088 102 C 5.1136 8.2740 119.4830 55.4342 39.4334 172.5761 103 L 5.9779 7.8836 117.9357 52.3890 45.6659 176.1529 104 G 4.4967 8.5033 107.4560 45.0837 0.0000 171.3970 105 L 5.5590 9.2175 120.8888 53.6168 44.0412 175.8468 106 E 4.9588 8.5573 118.1710 54.3639 32.9224 176.2135 107 K 2.4800 8.2667 123.0713 59.1783 32.3864 178.5930 108 E 3.9229 7.9562 117.0221 58.7650 29.7560 177.5187 109 T 4.4225 7.5701 108.4329 61.0920 69.2109 174.7926 110 G 3.7872 8.2809 107.5693 47.0381 0.0000 174.2822 111 F 4.0334 7.8970 115.6700 58.3294 37.0279 176.8622 112 R 4.6714 8.0045 119.4911 55.8294 31.5314 175.6394 113 K 4.5258 7.8983 115.6087 54.4354 34.9175 175.3496 114 W 4.9032 8.4558 122.0737 56.1949 29.8958 175.7942 115 V 4.3795 8.8994 126.2440 61.1456 33.1196 174.6899 116 N 5.1887 8.7838 125.7307 53.3690 39.0530 174.3390 117 I 4.7037 8.8699 116.8435 58.8890 42.1979 173.7570 118 Y 4.7231 8.6331 124.5143 57.9198 39.2453 177.5022 119 C 4.2579 9.1631 124.3644 59.3655 40.4986 175.1158 120 G 3.1648 5.3851 106.3671 45.5244 0.0000 173.5063 121 Q 4.5021 7.9421 119.9954 55.8196 30.6475 174.9753 122 Q 5.2873 8.7026 118.8656 54.7037 30.8644 175.1114 123 N 5.3526 9.5673 121.5176 50.4638 43.5785 172.6923 124 P 5.6649 0.0000 0.0000 62.6706 33.7473 174.0134 125 F 4.9895 7.4086 113.0901 56.5582 41.6598 172.6809 126 V 4.9310 8.2480 114.4654 61.6768 34.5969 174.0372 127 C 5.5426 9.4488 124.9825 55.7020 41.8145 172.3304 128 E 5.3650 9.5082 121.3927 54.7942 33.4443 175.1348 129 A 4.2169 8.7706 126.1610 52.3428 19.6267 175.9529 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 D 8.36 4.60 0.00 2.65 2.68 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 0.00 0.00 0.00 2 C 8.38 4.36 0.00 3.14 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 3 P 0.00 4.46 0.00 1.84 1.85 0.00 3.03 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.78 0.00 4 S 8.47 4.38 0.00 3.87 3.85 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 5 G 9.29 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 6 W 8.06 4.99 0.00 3.29 3.33 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 7 S 9.65 5.07 0.00 4.03 4.06 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 8 S 8.71 5.46 0.00 3.97 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 9 Y 9.08 4.26 0.00 1.43 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.12 3.52 0.00 1.45 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 11 G 8.37 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 12 H 8.23 4.93 0.00 3.43 3.07 0.00 5.58 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.75 5.87 0.00 2.68 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 14 Y 9.99 5.69 0.00 3.15 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 15 K 8.83 4.42 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.64 7.81 16 P 0.00 4.77 0.00 1.81 1.78 0.00 3.34 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 17 F 8.53 4.31 0.00 1.51 2.21 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 18 K 8.03 4.17 0.00 1.55 1.54 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 1.22 7.81 19 L 6.69 4.52 0.00 1.35 1.37 0.51 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.42 4.86 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.02 4.96 0.00 1.65 1.54 0.00 1.16 0.00 0.00 1.40 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.38 7.81 22 T 8.38 5.54 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 1.31 0.00 0.00 23 W 7.98 2.54 0.00 1.78 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 24 D 8.04 4.42 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.83 4.26 0.00 2.59 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 26 A 7.67 2.99 0.38 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 27 E 7.31 3.29 0.00 1.16 1.42 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 2.05 2.13 0.00 28 R 7.32 3.72 0.00 1.76 1.99 0.00 3.30 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 29 F 8.17 4.12 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.27 4.29 0.00 3.06 3.16 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 0.00 0.00 0.00 31 T 7.59 4.24 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 1.17 0.00 0.00 32 E 7.43 4.34 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 33 Q 7.64 4.20 0.00 2.33 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 34 A 6.89 4.38 1.01 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 0.00 0.00 35 K 8.38 4.06 0.00 1.65 1.65 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.38 7.81 36 G 8.95 3.85 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 0.00 0.00 0.00 37 G 7.91 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 38 H 8.80 5.10 0.00 3.08 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.69 4.63 0.00 1.41 1.61 -0.42 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.84 4.14 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 0.96 0.00 0.00 1.35 0.00 0.00 41 S 9.30 4.94 0.00 4.05 3.94 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 42 I 8.29 4.58 2.18 0.00 0.00 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 1.61 0.77 1.31 0.00 0.00 43 E 9.42 4.68 0.00 2.07 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 0.00 2.38 2.36 0.00 44 S 7.62 4.67 0.00 4.09 4.02 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 45 A 8.60 4.11 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 46 G 8.14 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.40 3.63 0.00 2.36 2.26 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 2.49 2.46 0.00 48 A 8.24 4.10 1.50 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 0.00 0.00 49 D 8.40 4.28 0.00 2.83 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 50 F 7.92 3.88 0.00 2.33 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 51 V 7.88 3.09 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 1.03 0.00 0.00 1.02 0.00 0.00 52 A 8.06 4.22 1.52 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 0.00 0.00 53 Q 7.83 3.78 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 54 L 7.53 3.60 0.00 0.96 1.29 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.73 3.18 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.72 0.00 0.00 56 T 7.58 3.86 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 1.27 0.00 0.00 57 E 8.05 4.18 0.00 1.82 1.92 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 2.27 2.52 0.00 58 N 7.78 4.80 0.00 2.59 2.61 0.00 0.00 6.78 7.58 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 59 I 7.54 4.23 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.33 0.71 0.00 0.00 60 Q 7.79 4.59 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.30 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 61 N 8.63 4.85 0.00 2.84 2.88 0.00 0.00 6.90 7.54 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 62 T 7.50 4.37 4.40 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 1.20 0.00 0.00 63 K 8.15 3.78 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.43 7.81 64 S 7.58 4.41 0.00 3.86 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 65 Y 8.19 4.72 0.00 2.63 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 66 V 8.67 4.51 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 0.90 0.00 0.00 0.84 0.00 0.00 67 W 8.91 5.36 0.00 3.39 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.76 4.89 1.78 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.98 0.00 0.00 69 G 9.26 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 70 L 7.22 4.36 0.00 1.42 1.24 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.73 4.36 0.00 1.43 1.14 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.97 0.00 72 V 7.78 3.57 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.81 0.00 0.00 73 Q 8.52 3.77 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 74 G 7.47 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 75 K 8.13 4.38 0.00 1.66 1.74 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.37 7.81 76 E 7.77 4.08 0.00 1.97 1.91 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 2.35 2.34 0.00 77 K 8.55 3.68 0.00 1.47 0.74 0.00 1.54 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.21 7.81 78 Q 7.35 4.44 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 79 C 8.49 4.53 0.00 2.90 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 80 S 7.77 4.41 0.00 3.92 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 81 S 8.13 4.38 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 6.95 5.13 0.00 2.01 1.74 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 2.19 2.43 0.00 83 W 8.70 4.43 0.00 3.60 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 84 S 8.81 4.35 0.00 4.04 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 85 D 8.20 4.54 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.16 4.13 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 0.00 0.00 0.00 87 S 9.22 4.38 0.00 4.09 4.07 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 88 S 8.43 4.65 0.00 4.06 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 89 V 8.15 4.40 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.46 0.00 0.00 90 S 8.79 4.84 0.00 4.06 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 91 Y 7.85 4.86 0.00 2.96 2.98 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 92 E 7.80 4.45 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 93 N 7.74 4.89 0.00 2.38 2.59 0.00 0.00 7.06 7.95 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 94 W 7.95 4.26 0.00 3.23 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 95 I 8.33 4.16 1.92 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 0.61 0.88 0.00 0.00 96 E 9.09 3.75 0.00 1.73 1.72 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 2.38 2.28 0.00 97 A 7.39 3.04 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 98 E 7.94 4.19 0.00 2.43 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 2.36 2.46 0.00 99 S 7.87 3.94 0.00 2.92 3.57 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 0.00 100 K 8.09 4.69 0.00 1.78 1.79 0.00 1.83 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.47 7.81 101 T 7.87 4.47 4.07 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 1.04 0.00 0.00 102 C 8.27 5.11 0.00 3.09 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 0.00 103 L 7.88 5.98 0.00 1.53 1.56 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.50 4.50 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 0.00 0.00 0.00 105 L 9.22 5.56 0.00 1.90 1.98 1.10 1.28 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 0.00 106 E 8.56 4.96 0.00 1.99 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 0.00 2.24 2.44 0.00 107 K 8.27 2.48 0.00 1.44 1.57 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.30 7.81 108 E 7.96 3.92 0.00 1.90 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 2.26 2.30 0.00 109 T 7.57 4.42 4.23 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 1.29 0.00 0.00 110 G 8.28 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 0.00 0.00 0.00 111 F 7.90 4.03 0.00 3.24 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 0.00 112 R 8.00 4.67 0.00 1.80 2.09 0.00 3.30 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 113 K 7.90 4.53 0.00 1.78 1.67 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.33 7.81 114 W 8.46 4.90 0.00 3.32 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 0.00 115 V 8.90 4.38 2.18 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 0.94 0.00 0.00 1.09 0.00 0.00 116 N 8.78 5.19 0.00 2.65 2.89 0.00 0.00 6.79 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 0.00 117 I 8.87 4.70 1.83 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 1.24 1.01 -0.03 0.00 0.00 118 Y 8.63 4.72 0.00 3.24 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 0.00 119 C 9.16 4.26 0.00 2.73 2.79 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 0.00 120 G 5.39 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.94 4.50 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.68 0.00 0.00 0.00 0.00 0.00 2.65 2.84 0.00 122 Q 8.70 5.29 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 123 N 9.57 5.35 0.00 1.44 2.42 0.00 0.00 6.38 8.71 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 0.00 124 P 0.00 5.66 0.00 1.88 1.81 0.00 4.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.69 0.00 125 F 7.41 4.99 0.00 3.26 3.48 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 0.00 0.00 0.00 0.00 126 V 8.25 4.93 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 1.22 0.00 0.00 0.88 0.00 0.00 127 C 9.45 5.54 0.00 3.06 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 0.00 128 E 9.51 5.37 0.00 1.95 1.74 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 1.97 1.47 0.00 129 A 8.77 4.22 1.05 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