NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7961 8.4293 116.1986 55.2085 30.3348 173.2777 2 C 4.0918 7.6524 114.1266 56.9097 30.1620 172.1228 3 D 4.5372 8.3661 118.5327 55.1061 40.2285 175.2850 4 L 4.0490 8.0634 120.7088 57.0192 42.1886 175.6786 5 P 4.5897 0.0000 0.0000 62.1032 32.5125 175.1278 6 C 4.3160 8.3802 112.4359 57.6264 30.6556 175.0562 7 G 3.8875 8.2105 107.6276 45.4226 0.0000 173.0344 8 V 4.2051 7.1406 119.1630 61.1561 32.2009 174.2644 9 Y 4.6992 7.9047 123.7502 56.4391 41.9545 174.7599 10 D 3.5873 7.7378 115.8229 51.7595 43.7924 174.9649 11 P 4.1168 0.0000 0.0000 64.5064 31.1812 178.1221 12 A 3.9677 8.5367 120.7346 54.9617 17.6348 179.6197 13 Q 3.7687 7.9475 116.5844 59.0988 28.7135 178.9428 14 A 4.0570 7.7498 121.1864 55.0177 18.5000 179.3888 15 R 3.8244 8.1883 117.4689 59.8159 30.0699 178.7890 16 I 3.9322 8.1092 119.8861 64.5097 37.0301 178.3366 17 E 4.0090 8.0077 118.3872 59.2245 29.3498 179.1628 18 A 4.0789 8.3026 121.0003 55.0704 18.3074 179.5655 19 E 3.9964 8.6981 117.7883 59.5571 29.3797 179.7228 20 S 4.1201 7.8139 115.6240 61.2823 62.8665 176.6351 21 V 3.5650 7.7868 121.0626 66.0897 31.2590 178.1024 22 K 4.1552 8.1476 118.9929 59.4447 32.0362 178.6134 23 A 4.2032 8.3464 121.3990 55.2142 18.2443 179.7444 24 I 3.7452 8.1480 118.7622 64.6037 37.0314 178.6278 25 Q 4.0486 8.1159 118.9677 58.9919 28.3760 178.7328 26 E 4.0162 8.4138 119.6868 59.4435 29.2331 179.5965 27 K 4.1135 8.2163 118.2641 59.3955 31.6318 179.2662 28 M 4.4580 8.2350 118.9739 57.9330 31.6617 178.2584 29 A 3.8248 7.7955 119.9623 54.0779 18.6810 178.5529 30 A 4.5333 7.4894 117.5619 51.7947 19.4667 176.6526 31 N 4.6537 7.3573 114.8465 52.1617 40.9908 173.0351 32 D 4.7604 8.7273 124.4751 54.1519 41.5996 175.9933 33 D 4.4542 8.8485 118.9862 54.2599 42.3960 175.9033 34 L 3.9248 8.7631 128.8263 59.1237 42.1049 178.8138 35 H 4.0746 8.3779 115.1643 58.8732 28.6185 177.5001 36 F 4.1870 8.4411 121.9941 61.4448 39.2560 177.2401 37 Q 3.8391 8.6321 118.1195 58.8337 28.4363 179.0122 38 I 3.6443 7.8804 120.9663 64.4179 37.1099 178.7168 39 R 3.8404 7.9167 118.6856 59.0869 29.7799 178.9710 40 A 3.7333 7.8004 120.9263 55.2592 18.2770 179.8193 41 T 3.7153 7.6837 114.2025 66.7035 68.4428 176.9916 42 V 3.5480 7.7441 120.0241 66.2103 31.4997 178.2044 43 I 3.9146 7.9292 119.6982 64.0971 36.8625 178.2971 44 K 3.8766 8.3095 120.9396 59.3132 32.0188 178.3222 45 E 3.8913 8.1577 119.5719 59.5682 29.5673 178.9698 46 Q 3.9887 7.8487 117.6648 59.0691 28.7078 178.9919 47 R 3.9594 8.2959 119.0850 59.0539 29.9876 178.9745 48 A 3.9765 8.2602 120.8884 54.9957 18.3882 179.2407 49 E 3.8565 8.1396 117.8051 59.4543 29.7397 179.0976 50 L 3.9485 8.0107 118.7627 57.6917 41.7975 179.3126 51 A 4.0776 8.2414 120.8458 55.2081 18.2487 179.8451 52 K 3.9464 8.3850 117.2878 59.6989 32.0478 179.0800 53 H 4.1497 8.3158 118.4873 59.6541 29.8431 176.9585 54 H 4.1690 8.1187 117.9169 58.9411 28.4479 177.8360 55 L 4.0424 7.9073 120.3356 57.9312 41.4361 179.1254 56 D 4.5270 8.3847 119.0699 57.6294 40.7281 179.2211 57 V 3.7517 8.0897 118.6762 65.8083 31.4406 178.1183 58 L 3.8578 7.9414 118.8236 57.5087 41.2905 179.2257 59 W 4.6404 8.5093 127.3489 60.6770 30.7966 177.6335 60 S 4.1102 8.7270 113.0764 60.2975 62.9686 175.2095 61 D 4.6593 8.3174 121.1981 55.7602 41.7155 177.3197 62 Y 3.4013 7.3322 118.4317 59.8283 39.0780 175.5437 63 F 4.1109 7.6773 117.9761 57.1397 39.4971 175.1059 64 K 4.5223 8.0094 123.6432 53.4305 35.3955 175.1308 65 P 4.4428 0.0000 0.0000 65.9488 31.0367 177.1044 66 P 4.2777 0.0000 0.0000 65.7729 31.1597 178.4863 67 H 4.3307 7.9716 115.0745 58.9763 28.8008 177.8150 68 F 4.4669 7.8216 118.3225 59.7563 38.4918 177.1711 69 E 4.2815 7.8400 117.7588 59.0574 29.7290 178.5721 70 S 4.2995 8.2030 114.2355 60.0720 64.1773 174.1647 71 Y 4.6896 7.9461 118.9167 53.5941 37.7337 174.1744 72 P 4.5845 0.0000 0.0000 63.6699 32.2463 176.9581 73 E 4.4805 8.0783 114.9783 56.1304 30.7605 177.4234 74 L 4.0126 8.4439 123.1199 58.8817 41.9671 178.1348 75 H 4.3205 8.3832 115.3942 59.5743 28.7089 177.5676 76 T 3.7719 7.9392 116.5696 66.4437 68.2349 176.1444 77 L 3.8980 7.9714 122.1311 58.2675 42.1243 179.3026 78 V 3.5030 7.8944 118.1403 65.9705 31.4969 177.4522 79 N 4.0377 8.1600 117.0040 56.6101 38.6201 176.7493 80 E 3.7147 8.4244 120.2324 58.9671 29.3995 179.1081 81 A 3.9593 7.6958 121.0174 55.3328 18.4769 180.1890 82 V 3.5904 7.7974 110.9393 64.4379 31.5597 179.0515 83 K 3.9946 8.1153 118.0985 59.2052 31.8537 179.2974 84 A 4.1233 8.2878 121.6292 54.9879 18.2747 179.7004 85 L 4.0216 7.9402 117.7966 57.9373 41.5211 179.8279 86 S 4.1109 8.0981 115.1142 61.5332 62.5409 176.5906 87 A 4.0110 7.9006 122.3280 54.9594 18.4505 179.2590 88 A 4.1820 7.8568 120.8189 54.5449 18.1826 179.9660 89 K 3.9346 7.8083 116.3011 59.3411 32.2220 178.4815 90 A 4.3997 7.4820 117.8835 51.5622 18.8364 176.6719 91 S 4.6921 7.2890 111.7203 56.9491 65.6382 173.7718 92 T 4.3895 8.3035 112.5181 61.2459 69.7616 173.7764 93 D 4.5232 8.2476 124.3169 53.2312 41.4877 175.0503 94 P 4.6090 0.0000 0.0000 64.7508 31.2390 178.3047 95 A 3.9916 9.0387 120.4171 55.0755 17.7941 179.7124 96 T 4.0197 8.2247 108.9296 64.8579 68.9850 177.3549 97 G 3.5933 8.1037 108.1741 47.4712 0.0000 175.3667 98 Q 3.9789 8.3815 122.1780 58.7892 29.0512 178.1545 99 K 3.7442 8.1160 120.5795 59.3596 32.2043 178.6769 100 A 4.1721 7.8730 121.0026 55.2658 18.3483 179.6488 101 L 4.0098 8.0289 117.5246 57.8467 41.6092 179.5806 102 D 4.3165 8.2838 119.1180 57.6700 40.7873 178.3862 103 Y 4.3959 7.8518 117.2055 61.2141 37.8269 178.8136 104 I 3.8103 8.1766 120.6719 64.2622 37.1834 178.2632 105 A 4.1526 8.2426 121.7084 55.2986 18.1990 179.7818 106 Q 4.0234 8.0871 116.1579 59.1479 28.7340 178.8997 107 I 3.7539 7.9127 120.9350 64.4876 37.2066 177.9965 108 D 4.3883 8.7529 119.2965 57.0284 40.8395 178.2864 109 K 4.1017 8.1377 120.3203 59.6279 32.2978 178.8931 110 I 3.5203 7.7223 120.0233 64.1523 36.8197 177.8419 111 F 4.0419 8.5532 121.8449 61.5165 38.9328 177.4368 112 W 4.1365 7.9633 116.2957 59.2935 29.0868 178.1407 113 E 4.2589 7.9731 119.5401 59.4203 29.1176 179.0520 114 T 4.0938 7.9618 109.3245 63.9537 68.6924 176.3757 115 K 4.2112 7.3354 120.4302 57.8449 32.2810 177.4766 116 K 4.3606 7.5917 117.2838 56.2713 32.2188 176.6931 117 A 4.2557 7.4866 127.0213 52.3921 18.6107 177.7071 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 H 8.43 4.80 0.00 3.30 3.39 0.00 5.48 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.65 4.09 0.00 3.11 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 3 D 8.37 4.54 0.00 2.86 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 4 L 8.06 4.05 0.00 1.59 1.73 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.59 0.00 2.30 2.11 0.00 3.81 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 1.99 1.98 0.00 6 C 8.38 4.32 0.00 2.99 2.96 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 7 G 8.21 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 0.00 0.00 0.00 0.00 8 V 7.14 4.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 9 Y 7.90 4.70 0.00 2.80 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 10 D 7.74 3.59 0.00 2.54 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 0.00 0.00 0.00 11 P 0.00 4.12 0.00 2.22 1.88 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.13 0.00 12 A 8.54 3.97 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 13 Q 7.95 3.77 0.00 1.82 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 14 A 7.75 4.06 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 15 R 8.19 3.82 0.00 1.89 2.08 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 I 8.11 3.93 1.86 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 1.52 0.78 0.91 0.00 0.00 17 E 8.01 4.01 0.00 2.19 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 2.57 2.55 0.00 18 A 8.30 4.08 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 19 E 8.70 4.00 0.00 2.14 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 2.34 2.66 0.00 20 S 7.81 4.12 0.00 4.00 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 21 V 7.79 3.56 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 1.00 0.00 0.00 0.98 0.00 0.00 22 K 8.15 4.16 0.00 1.89 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.58 7.81 23 A 8.35 4.20 1.41 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 0.00 0.00 24 I 8.15 3.75 2.03 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 1.53 0.83 0.91 0.00 0.00 25 Q 8.12 4.05 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 26 E 8.41 4.02 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 2.34 2.54 0.00 27 K 8.22 4.11 0.00 2.19 2.14 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.75 7.81 28 M 8.24 4.46 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.49 0.00 29 A 7.80 3.82 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 30 A 7.49 4.53 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.36 4.65 0.00 2.09 2.09 0.00 0.00 7.07 8.35 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 32 D 8.73 4.76 0.00 2.69 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 33 D 8.85 4.45 0.00 2.85 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 34 L 8.76 3.92 0.00 1.81 1.69 0.89 1.04 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 35 H 8.38 4.07 0.00 3.46 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.44 4.19 0.00 3.16 3.28 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 37 Q 8.63 3.84 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 38 I 7.88 3.64 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.87 0.00 0.00 39 R 7.92 3.84 0.00 1.71 1.90 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 40 A 7.80 3.73 0.81 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 41 T 7.68 3.72 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 42 V 7.74 3.55 2.17 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 1.01 0.00 0.00 0.93 0.00 0.00 43 I 7.93 3.91 1.81 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 1.38 0.54 0.89 0.00 0.00 44 K 8.31 3.88 0.00 1.82 1.99 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.16 3.89 0.00 2.31 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 2.29 2.39 0.00 46 Q 7.85 3.99 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 47 R 8.30 3.96 0.00 1.82 1.98 0.00 3.31 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 48 A 8.26 3.98 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 49 E 8.14 3.86 0.00 2.21 2.14 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 2.29 2.38 0.00 50 L 8.01 3.95 0.00 1.93 1.70 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.24 4.08 1.41 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 0.00 0.00 52 K 8.38 3.95 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.63 7.81 53 H 8.32 4.15 0.00 3.22 3.42 0.00 5.79 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 54 H 8.12 4.17 0.00 3.37 3.29 0.00 5.67 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 55 L 7.91 4.04 0.00 1.90 1.76 0.94 0.93 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 56 D 8.38 4.53 0.00 2.91 2.87 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 57 V 8.09 3.75 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 1.35 0.00 0.00 0.92 0.00 0.00 58 L 7.94 3.86 0.00 2.08 1.68 0.75 0.33 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 59 W 8.51 4.64 0.00 3.50 3.64 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 60 S 8.73 4.11 0.00 4.06 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 0.00 61 D 8.32 4.66 0.00 2.96 2.96 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 62 Y 7.33 3.40 0.00 1.43 2.38 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 63 F 7.68 4.11 0.00 2.78 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 0.00 0.00 0.00 64 K 8.01 4.52 0.00 1.46 1.55 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.13 7.81 65 P 0.00 4.44 0.00 2.15 2.17 0.00 3.55 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 2.12 2.27 0.00 66 P 0.00 4.28 0.00 1.99 2.04 0.00 3.36 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 67 H 7.97 4.33 0.00 3.02 3.06 0.00 5.64 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 68 F 7.82 4.47 0.00 3.22 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 69 E 7.84 4.28 0.00 2.24 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 2.52 2.51 0.00 70 S 8.20 4.30 0.00 4.06 3.65 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 71 Y 7.95 4.69 0.00 2.95 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 72 P 0.00 4.58 0.00 2.07 2.17 0.00 3.71 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 73 E 8.08 4.48 0.00 2.16 2.23 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 2.37 2.30 0.00 74 L 8.44 4.01 0.00 1.86 1.90 0.52 -0.44 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 75 H 8.38 4.32 0.00 3.24 3.34 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 76 T 7.94 3.77 4.38 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 1.23 0.00 0.00 77 L 7.97 3.90 0.00 1.87 1.83 1.08 0.83 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 78 V 7.89 3.50 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.13 0.00 0.00 79 N 8.16 4.04 0.00 2.66 2.73 0.00 0.00 7.26 8.33 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 80 E 8.42 3.71 0.00 1.39 1.12 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 2.13 2.29 0.00 81 A 7.70 3.96 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 82 V 7.80 3.59 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 0.80 0.00 0.00 0.86 0.00 0.00 83 K 8.12 3.99 0.00 1.94 1.82 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 84 A 8.29 4.12 1.56 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 85 L 7.94 4.02 0.00 1.91 1.73 0.94 0.94 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 86 S 8.10 4.11 0.00 4.05 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 87 A 7.90 4.01 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 88 A 7.86 4.18 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 89 K 7.81 3.93 0.00 1.97 2.11 0.00 1.69 0.00 0.00 2.00 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 90 A 7.48 4.40 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.29 4.69 0.00 3.82 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 92 T 8.30 4.39 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 1.21 0.00 0.00 93 D 8.25 4.52 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.61 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 95 A 9.04 3.99 1.37 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 96 T 8.22 4.02 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 1.22 0.00 0.00 97 G 8.10 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.38 3.98 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 99 K 8.12 3.74 0.00 1.95 1.95 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.23 7.81 100 A 7.87 4.17 1.41 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 0.00 0.00 101 L 8.03 4.01 0.00 1.88 1.74 0.93 1.11 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 0.00 102 D 8.28 4.32 0.00 2.60 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 0.00 103 Y 7.85 4.40 0.00 3.20 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 0.00 104 I 8.18 3.81 2.06 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 1.51 0.76 0.94 0.00 0.00 105 A 8.24 4.15 1.44 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 0.00 106 Q 8.09 4.02 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 107 I 7.91 3.75 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 1.07 0.00 0.00 108 D 8.75 4.39 0.00 2.79 2.96 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 0.00 109 K 8.14 4.10 0.00 2.09 2.07 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.58 7.81 110 I 7.72 3.52 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.63 -0.13 0.00 0.00 111 F 8.55 4.04 0.00 3.06 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 0.00 112 W 7.96 4.14 0.00 3.44 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 0.00 113 E 7.97 4.26 0.00 2.25 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 2.45 2.70 0.00 114 T 7.96 4.09 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 1.20 0.00 0.00 115 K 7.34 4.21 0.00 1.98 1.97 0.00 1.46 0.00 0.00 0.74 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.55 0.54 7.81 116 K 7.59 4.36 0.00 1.97 1.88 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.82 7.81 117 A 7.49 4.26 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