NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4174 8.1933 115.4025 57.8929 64.6371 174.6676 2 I 3.2487 7.9287 122.9274 63.9144 37.1509 177.2255 3 Q 4.0343 8.1081 119.9854 58.4784 29.6488 177.1201 4 A 4.0271 7.2087 119.8516 54.2352 18.8927 177.7483 5 E 3.6731 7.4948 117.3422 55.6926 29.6834 178.0898 6 E 3.8643 8.3247 121.9750 58.4804 30.0288 177.6312 7 W 4.5527 7.1498 115.0213 56.8146 28.8956 174.7184 8 Y 5.0761 7.5783 122.4489 56.9270 37.9834 175.3622 9 F 4.4395 9.2365 126.4620 56.5191 40.6828 178.3250 10 G 3.4119 5.6207 110.3258 46.6864 0.0000 176.4826 11 K 4.7337 8.5462 118.9637 54.6441 30.3986 175.2251 12 I 4.6387 7.3763 114.6171 57.9593 40.8594 176.9966 13 T 4.3099 8.1188 112.8931 61.0663 71.0828 175.7407 14 R 3.7678 9.3532 121.4246 59.5605 29.9303 178.4955 15 R 3.8785 7.8984 118.0050 59.3942 30.1545 177.9058 16 E 3.9314 8.3484 119.3903 59.2462 29.5783 178.8758 17 S 4.0686 8.2782 114.4709 61.5695 62.8646 176.4330 18 E 3.9323 8.2467 122.1770 58.9919 28.9627 179.1317 19 R 3.8734 8.0439 118.1889 59.4971 30.1869 178.3333 20 L 4.1505 7.7674 117.6342 57.7934 41.8550 179.1660 21 L 4.2187 8.1771 118.6211 56.8415 41.2867 178.2198 22 L 4.5802 7.7214 118.0766 53.8408 42.0969 175.9763 23 N 4.4876 7.6075 119.3960 52.8570 39.3969 175.9326 24 A 4.0046 8.7351 128.5637 55.2258 18.5432 178.2234 25 E 4.1157 8.5270 114.2123 58.1692 29.8501 176.9258 26 N 4.4682 8.1006 118.3037 52.1571 38.9349 173.5226 27 P 4.5601 0.0000 0.0000 61.3055 32.8920 175.5412 28 R 3.9215 8.0892 117.5628 57.8248 30.3903 177.7088 29 G 4.1212 9.0221 109.3409 46.4789 0.0000 173.4276 30 T 4.6948 7.5488 117.8414 63.9372 69.6345 173.4506 31 F 5.4909 8.8310 119.8621 56.1707 42.2333 172.5475 32 L 4.7300 8.7284 117.5250 54.8823 43.9924 174.0683 33 V 5.2010 9.2208 120.4277 61.4056 34.6870 174.5498 34 R 4.8968 9.1806 122.7510 54.5777 33.5281 173.9169 35 E 4.6666 8.8653 119.1814 56.2095 30.1028 177.4412 36 S 4.2751 8.4617 117.7751 58.4269 62.6864 174.3431 37 E 4.1502 8.9902 125.7601 58.9600 29.4318 177.9608 38 T 4.3774 7.7936 104.8241 61.2895 70.5369 173.8488 39 T 4.2777 8.0089 120.6283 61.3124 68.2019 173.7451 40 K 3.9117 8.4017 127.8842 57.9254 32.4479 177.2588 41 G 3.7484 8.8668 113.1461 45.3572 0.0000 172.5540 42 A 4.7019 7.6390 121.2994 50.2985 22.4119 175.2300 43 Y 5.2283 8.7129 116.2043 56.4133 42.4900 174.5657 44 C 5.3469 9.5659 117.4451 58.1572 32.4332 173.3473 45 L 4.9414 9.3618 126.5373 54.0981 43.1597 175.0400 46 S 5.1740 8.9839 123.7395 57.0214 65.0301 173.7251 47 V 5.1043 8.8511 124.6796 61.0794 34.9046 174.6281 48 S 5.0383 9.2405 122.4963 58.0151 65.0456 172.4207 49 D 5.2626 9.2459 120.7792 53.1971 45.4745 173.5266 50 F 5.6359 8.8091 122.0110 57.5719 42.4586 172.6151 51 D 4.5094 7.3394 123.3284 51.9848 42.2143 175.9691 52 N 4.2879 8.6892 116.7588 56.2267 38.5380 176.5754 53 A 4.0193 7.5600 120.5263 54.7668 18.8113 178.5452 54 K 4.0405 9.3416 115.9958 56.4774 33.6149 179.5578 55 G 3.4124 7.9402 107.6524 44.7291 0.0000 171.6821 56 L 4.9610 8.5559 123.8993 55.1638 42.9609 177.1384 57 N 5.0930 9.2029 122.6413 51.8683 41.5276 173.0392 58 V 4.9119 8.2017 117.7958 61.0418 34.6010 174.4911 59 K 4.5673 9.0092 125.9336 54.7799 35.6574 174.6841 60 H 5.1912 8.1297 118.9133 54.1480 32.0857 172.5534 61 Y 4.7668 8.8393 120.4141 55.8502 41.2875 174.7997 62 K 4.6951 8.8521 125.7610 56.3278 33.9533 175.1732 63 I 4.6629 9.0191 128.5470 59.8214 39.5792 175.0161 64 R 4.6148 8.6221 126.5677 54.5884 32.4622 175.4066 65 K 4.5862 8.1196 122.2835 54.5680 34.6553 175.7823 66 L 4.4309 8.7535 128.0780 53.9789 42.6824 177.9506 67 D 4.3661 8.4833 120.9040 57.3123 40.9752 178.0947 68 S 4.2263 7.9157 113.6147 59.0827 63.0365 174.0524 69 G 4.1072 7.8746 109.8300 45.6410 0.0000 174.9437 70 G 4.0798 8.1087 106.3656 45.8238 0.0000 172.7163 71 F 5.5926 9.1802 121.4111 55.8687 41.7877 174.4079 72 Y 5.1790 8.4630 118.8230 57.2916 41.0675 174.9778 73 I 4.2777 9.0202 120.0255 62.2201 38.6583 176.1498 74 T 4.7667 7.8066 114.5508 59.7665 68.9985 175.0821 75 S 2.9017 8.6363 122.9183 60.8067 63.0137 175.7894 76 R 3.9187 7.3743 118.2974 58.3256 29.8517 176.8227 77 T 4.1483 7.6524 113.5391 61.4322 69.5340 172.9685 78 Q 4.8651 7.6805 123.8041 53.8633 31.6383 175.2792 79 F 4.8843 8.8005 117.6106 55.8261 42.7207 176.0880 80 N 4.7217 8.9935 119.7484 55.1938 39.0528 175.6830 81 S 4.5054 7.7078 112.3725 55.8853 67.3539 174.9839 82 L 3.4826 7.1958 123.8075 58.0161 41.6917 179.0657 83 Q 4.2055 7.9387 117.6701 59.2919 28.7366 178.8000 84 Q 3.9291 8.1380 118.9205 58.5579 28.6903 178.5524 85 L 2.4400 7.4603 121.4877 57.5696 41.9050 179.2062 86 V 3.1526 7.4839 117.0402 65.7564 31.4867 177.4755 87 A 3.9897 7.9436 120.6908 55.0876 18.1528 178.9938 88 Y 3.7886 7.7087 117.9652 61.0192 38.9426 177.5407 89 Y 4.4979 7.5553 116.9993 58.9058 37.7645 177.3653 90 S 4.7017 7.2644 117.0770 58.7954 63.2595 174.6530 91 K 4.2425 7.5159 119.4187 56.4504 33.7937 175.9755 92 H 4.6595 7.7237 115.9676 53.5437 31.0282 174.8930 93 A 4.0261 8.6813 127.3634 53.9891 19.8553 179.4356 94 D 4.3678 7.7533 112.9512 55.9672 40.2343 174.9318 95 G 3.9520 8.9636 116.2816 46.2588 0.0000 173.3449 96 L 3.9374 7.8825 121.3595 53.5950 42.3618 177.8737 97 C 4.4021 8.8777 115.8213 61.4543 29.7197 173.3828 98 H 4.5084 7.1766 117.3447 54.8150 32.5215 173.4704 99 R 4.1450 7.7839 120.3579 55.6595 30.1201 176.0145 100 L 4.2742 8.6332 121.1376 55.3086 41.8766 176.1474 101 T 4.5980 8.9192 112.7101 62.7734 70.4723 174.1611 102 T 4.8762 7.7206 112.3460 58.4965 72.7076 172.5183 103 V 3.5481 8.3979 123.7114 62.6544 32.3662 175.1837 104 C 4.1298 8.3937 129.0665 58.9323 31.9925 171.7708 105 P 4.4951 0.0000 0.0000 62.9270 30.9585 176.1390 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 S 8.19 4.42 0.00 3.95 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 2 I 7.93 3.25 1.50 0.00 0.00 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 1.07 0.71 -0.26 0.00 0.00 3 Q 8.11 4.03 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 4 A 7.21 4.03 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 5 E 7.49 3.67 0.00 1.16 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 2.10 1.57 0.00 6 E 8.32 3.86 0.00 1.99 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 2.33 2.26 0.00 7 W 7.15 4.55 0.00 3.54 3.17 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 0.00 0.00 0.00 0.00 8 Y 7.58 5.08 0.00 2.72 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 9 F 9.24 4.44 0.00 2.75 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 10 G 5.62 3.41 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 0.00 11 K 8.55 4.73 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.59 7.81 12 I 7.38 4.64 1.92 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 1.52 0.87 1.02 0.00 0.00 13 T 8.12 4.31 4.39 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 1.21 0.00 0.00 14 R 9.35 3.77 0.00 1.75 1.97 0.00 2.96 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 15 R 7.90 3.88 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 16 E 8.35 3.93 0.00 2.14 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 2.34 2.40 0.00 17 S 8.28 4.07 0.00 4.01 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 18 E 8.25 3.93 0.00 2.20 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 2.37 2.55 0.00 19 R 8.04 3.87 0.00 1.79 2.13 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 20 L 7.77 4.15 0.00 1.76 1.67 0.98 0.92 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 21 L 8.18 4.22 0.00 1.71 1.69 0.86 0.69 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 22 L 7.72 4.58 0.00 1.66 1.69 0.92 1.26 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 23 N 7.61 4.49 0.00 2.67 2.68 0.00 0.00 7.09 8.55 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 24 A 8.74 4.00 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 25 E 8.53 4.12 0.00 2.06 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 2.33 2.35 0.00 26 N 8.10 4.47 0.00 2.81 2.76 0.00 0.00 6.99 8.12 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 27 P 0.00 4.56 0.00 2.18 2.15 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 28 R 8.09 3.92 0.00 1.50 1.58 0.00 3.27 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 29 G 9.02 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 0.00 0.00 0.00 0.00 30 T 7.55 4.69 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 1.18 0.00 0.00 31 F 8.83 5.49 0.00 3.23 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 32 L 8.73 4.73 0.00 1.16 1.06 0.75 0.14 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 33 V 9.22 5.20 2.80 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 1.19 0.00 0.00 1.13 0.00 0.00 34 R 9.18 4.90 0.00 2.01 1.96 0.00 3.02 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 35 E 8.87 4.67 0.00 1.96 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 2.59 2.48 0.00 36 S 8.46 4.28 0.00 3.90 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 37 E 8.99 4.15 0.00 1.98 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 2.31 2.28 0.00 38 T 7.79 4.38 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 1.20 0.00 0.00 39 T 8.01 4.28 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 1.17 0.00 0.00 40 K 8.40 3.91 0.00 1.67 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 41 G 8.87 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 42 A 7.64 4.70 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 43 Y 8.71 5.23 0.00 3.16 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 44 C 9.57 5.35 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.36 4.94 0.00 1.79 1.83 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.98 5.17 0.00 3.80 3.73 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 47 V 8.85 5.10 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 1.16 0.00 0.00 1.11 0.00 0.00 48 S 9.24 5.04 0.00 3.92 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 9.25 5.26 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.81 5.64 0.00 3.08 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 51 D 7.34 4.51 0.00 2.63 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 52 N 8.69 4.29 0.00 2.69 2.90 0.00 0.00 6.91 7.35 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 53 A 7.56 4.02 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 54 K 9.34 4.04 0.00 1.66 1.80 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.31 7.81 55 G 7.94 3.41 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 0.00 56 L 8.56 4.96 0.00 1.91 1.70 1.09 0.91 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 57 N 9.20 5.09 0.00 2.81 2.84 0.00 0.00 5.97 7.19 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 58 V 8.20 4.91 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 0.69 0.00 0.00 0.91 0.00 0.00 59 K 9.01 4.57 0.00 1.57 1.09 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.56 7.81 60 H 8.13 5.19 0.00 2.85 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.84 4.77 0.00 2.90 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 62 K 8.85 4.70 0.00 1.88 1.72 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.66 7.81 63 I 9.02 4.66 2.17 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 1.33 0.68 1.23 0.00 0.00 64 R 8.62 4.61 0.00 0.67 1.46 0.00 3.17 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 65 K 8.12 4.59 0.00 1.29 1.54 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.30 7.81 66 L 8.75 4.43 0.00 1.73 1.58 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.48 4.37 0.00 2.65 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 68 S 7.92 4.23 0.00 3.86 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 69 G 7.87 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 70 G 8.11 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 0.00 0.00 0.00 71 F 9.18 5.59 0.00 3.20 3.10 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 0.00 0.00 0.00 72 Y 8.46 5.18 0.00 3.44 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 73 I 9.02 4.28 1.93 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.95 0.00 0.00 74 T 7.81 4.77 4.34 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 1.32 0.00 0.00 75 S 8.64 2.90 0.00 3.58 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 76 R 7.37 3.92 0.00 1.81 1.97 0.00 3.20 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 77 T 7.65 4.15 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 0.74 0.00 0.00 78 Q 7.68 4.87 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 79 F 8.80 4.88 0.00 3.23 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 80 N 8.99 4.72 0.00 3.02 2.97 0.00 0.00 6.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.71 4.51 0.00 3.91 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 82 L 7.20 3.48 0.00 0.84 1.48 0.82 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.94 4.21 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 84 Q 8.14 3.93 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 85 L 7.46 2.44 0.00 1.63 1.64 1.21 0.87 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 V 7.48 3.15 1.57 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 0.11 0.00 0.00 -0.03 0.00 0.00 87 A 7.94 3.99 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 88 Y 7.71 3.79 0.00 2.81 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 0.00 0.00 0.00 89 Y 7.56 4.50 0.00 2.95 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 90 S 7.26 4.70 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.52 4.24 0.00 1.52 1.49 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.23 7.81 92 H 7.72 4.66 0.00 2.54 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.68 4.03 1.25 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 0.00 0.00 94 D 7.75 4.37 0.00 3.11 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 0.00 0.00 0.00 95 G 8.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.88 3.94 0.00 1.59 1.23 0.33 -0.28 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 97 C 8.88 4.40 0.00 3.37 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 98 H 7.18 4.51 0.00 3.31 3.18 0.00 5.76 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 99 R 7.78 4.15 0.00 2.07 1.94 0.00 3.17 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 100 L 8.63 4.27 0.00 1.17 0.43 0.10 0.25 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 0.00 101 T 8.92 4.60 4.30 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 1.37 0.00 0.00 102 T 7.72 4.88 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 103 V 8.40 3.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 104 C 8.39 4.13 0.00 2.89 2.53 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 0.00 105 P 0.00 4.50 0.00 2.10 1.97 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00