NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3613 8.3044 120.3299 54.9490 34.2860 174.6092 2 E 4.5114 7.5202 117.8749 53.1424 32.2906 172.3737 3 Q 4.2476 8.0955 115.0866 55.8012 32.5792 173.3130 4 Y 5.2607 7.5691 110.3055 60.1771 41.6537 175.7981 5 Y 3.0119 9.5030 123.4190 57.1971 38.8370 173.4189 6 G 4.3420 9.9712 127.0700 48.1498 0.0000 171.3468 7 T 4.7553 8.1033 121.3869 60.8947 70.1194 171.9982 8 G 4.0875 9.6402 112.0841 44.4631 0.0000 169.2486 9 R 5.7268 7.9443 124.8822 53.3575 33.1190 176.3104 10 R 4.1109 8.8226 116.5014 57.5389 34.2205 175.3488 11 K 3.9041 9.6619 124.6846 57.5648 30.5398 172.9967 12 E 3.6112 8.1549 113.3518 57.6318 27.8075 173.3539 13 A 5.2023 8.2121 119.4128 49.0391 22.0287 176.2505 14 V 4.6262 8.7756 123.4349 61.4728 33.8041 174.4832 15 A 5.1888 8.4710 127.8319 51.6007 23.2901 174.8052 16 R 5.4396 8.5257 119.5221 53.6156 33.3574 175.1921 17 V 4.4596 8.5222 123.8145 63.7352 33.4787 174.0813 18 F 4.8386 9.8404 122.9976 56.8056 40.9053 177.9693 19 L 5.0427 10.6646 118.4405 56.9942 40.8531 174.6057 20 R 4.5083 8.5045 119.5498 53.9074 31.3637 174.0942 21 P 4.0040 0.0000 0.0000 64.9851 31.1581 176.4144 22 G 4.1284 9.3231 107.7358 43.8617 0.0000 175.1722 23 N 4.0573 8.6572 121.6849 54.9253 38.7944 174.8465 24 G 4.1672 8.1632 107.7733 46.0221 0.0000 171.2802 25 K 4.7765 8.1934 123.3814 57.2371 33.4046 176.9316 26 V 4.5510 8.2246 117.1835 60.7103 36.2010 175.0880 27 T 4.3160 9.7708 118.4580 62.0871 65.5516 177.0626 28 V 3.8876 7.7316 119.2502 62.2112 35.9047 170.9216 29 N 3.6381 7.1903 119.0490 54.0268 40.9811 175.1141 30 G 3.3938 8.3507 106.5988 46.5258 0.0000 174.6763 31 Q 4.5577 8.0580 122.5345 53.5754 31.9912 174.9929 32 D 4.5568 8.4561 117.3070 55.0318 41.2556 177.6586 33 F 4.2690 8.9841 123.5064 61.3996 39.9831 175.9637 34 N 4.8678 8.1952 124.4052 52.6809 36.3553 180.5151 35 E 3.1280 8.0227 123.1897 58.4420 32.6772 175.5363 36 Y 4.3233 7.7102 126.9544 60.1179 39.7712 177.0702 37 F 5.0585 9.0766 117.1450 56.3071 39.5254 173.1960 38 Q 4.4991 7.6535 119.8805 54.9827 31.4423 177.9850 39 G 4.1549 8.5765 105.8783 46.1653 0.0000 173.6541 40 L 4.1150 8.0227 122.1820 53.7406 41.3007 175.8772 41 V 3.5807 7.7341 128.5187 64.5291 32.1112 177.4341 42 R 3.5836 8.4178 119.2540 59.8562 28.6469 178.3940 43 A 3.1394 6.7768 117.1477 54.9613 19.3097 180.2714 44 V 4.6389 7.6736 109.7491 61.1604 31.2613 177.0851 45 A 4.6566 9.5407 122.1352 52.0410 20.0004 178.6353 46 A 4.3683 8.2195 117.4966 53.1922 19.0655 178.0195 47 L 4.3433 7.6579 115.1780 54.5341 42.6142 177.9256 48 E 3.9905 8.1338 121.6136 58.9022 29.3341 176.9270 49 P 3.9798 0.0000 0.0000 64.9721 30.8818 177.2707 50 L 4.4783 7.8118 117.7657 55.0390 41.4660 177.7867 51 R 4.1159 8.1448 117.6935 56.3110 32.3130 177.0521 52 A 4.0069 7.7156 119.3181 53.6790 18.8312 176.8909 53 V 4.5490 6.9511 107.5528 60.2185 34.1463 175.2883 54 D 4.8022 8.6524 118.5928 54.7252 41.2455 176.5813 55 A 4.4919 7.4426 123.6075 51.1919 19.3645 178.9411 56 L 4.7526 8.1950 124.8751 55.1039 40.2554 177.4380 57 G 4.0369 8.4777 105.1764 46.0369 0.0000 173.1193 58 H 4.0664 8.3426 117.4607 58.4843 28.6298 174.8828 59 F 4.7660 8.3129 116.4016 56.3059 42.2700 174.3352 60 D 5.2620 9.0865 117.9336 50.7981 41.6045 172.6600 61 A 4.3704 8.6152 122.9610 52.4453 19.3498 176.2613 62 Y 4.5696 8.8398 123.0594 56.4444 41.4689 174.0322 63 I 5.4332 7.6012 126.0361 59.2922 42.2038 174.6616 64 T 4.5228 8.1936 121.3409 61.5968 69.8502 173.4364 65 V 4.2923 8.0547 125.1480 61.3629 33.2979 175.5700 66 R 4.4910 9.5705 121.2578 56.4403 34.2888 170.5719 67 G 4.0639 9.1461 121.2256 46.4039 0.0000 172.4710 68 G 4.1459 8.9764 113.8882 45.4143 0.0000 173.1451 69 G 3.9614 8.7506 111.5094 45.9151 0.0000 174.3574 70 K 4.0631 8.6738 118.7416 60.1725 31.8499 179.3639 71 S 3.7593 7.4441 111.1930 61.0411 63.4253 176.1114 72 G 3.7252 8.0442 106.8280 48.0208 0.0000 175.2021 73 Q 4.1173 8.1745 120.4182 59.0212 28.3985 179.1615 74 I 3.8910 8.2508 120.1791 63.2415 36.9844 177.0404 75 D 4.5036 8.1667 118.1173 54.5190 41.3902 177.5036 76 A 4.4023 7.5487 121.6176 54.3750 19.6849 178.8710 77 I 3.7183 7.9087 118.7366 64.7498 37.1708 178.0574 78 K 3.8940 7.6555 119.6951 59.6372 31.8583 178.3671 79 L 4.0999 8.0574 120.3998 58.1846 41.9641 179.2197 80 G 3.6401 8.0901 105.1431 47.9291 0.0000 175.3489 81 I 3.8221 8.5527 120.5665 62.6944 37.3226 177.1221 82 A 4.5370 7.6327 121.0975 53.1747 20.1147 178.6964 83 R 3.8821 8.7337 117.6560 59.8900 30.3685 177.8135 84 A 3.9652 8.4445 121.4015 54.7669 18.0277 179.1636 85 L 3.5027 7.5218 117.8504 58.4315 40.9325 179.0359 86 V 3.7531 7.6554 116.5167 62.7458 31.2068 176.9909 87 Q 3.9637 8.0963 122.8679 58.4484 29.5811 175.9707 88 Y 4.0933 7.4074 113.6510 57.9000 38.4492 176.5899 89 N 4.7037 7.9118 115.0009 52.3966 41.2360 174.4900 90 P 4.6473 0.0000 0.0000 66.0706 31.9147 178.6141 91 D 4.5369 8.1903 116.0725 56.3274 40.7901 176.0498 92 Y 4.1080 8.7359 118.2599 58.6083 38.2956 176.4289 93 R 4.3223 7.5323 121.2331 57.6167 31.4759 177.5629 94 A 4.5962 7.5709 117.9420 52.0129 17.5274 177.8634 95 K 4.5698 8.3160 117.7554 58.4042 36.4717 178.1065 96 L 4.1623 7.8415 121.3290 57.0915 42.7518 178.4656 97 K 4.0127 8.1061 119.5034 58.6184 32.7035 176.5579 98 P 4.2344 0.0000 0.0000 65.6227 31.1481 177.2245 99 L 4.3773 7.6991 112.9891 54.1062 42.1408 177.0435 100 G 4.0760 8.5508 107.1366 46.1172 0.0000 175.4880 101 F 3.7894 8.2056 119.0963 59.3655 39.1990 175.3594 102 L 4.6394 8.9695 122.3243 52.3335 43.1807 174.6783 103 T 4.3143 8.0638 124.6945 62.6343 69.8666 172.4937 104 R 3.9409 8.2057 126.0051 56.8554 30.5343 174.3074 105 D 4.2248 7.9108 118.2484 53.6880 38.5310 172.0414 106 A 4.0798 8.6597 125.9317 55.0992 18.6944 178.7931 107 R 3.7583 7.4519 111.9503 56.2518 30.2791 176.0040 108 V 4.4089 7.9088 114.5940 59.4834 35.6904 174.2511 109 V 3.5737 8.3048 121.8524 63.1836 31.3816 175.8255 110 E 4.2443 8.5060 125.4887 55.2903 30.5623 176.5421 111 R 3.8723 8.3325 120.7403 56.3591 30.6199 176.0500 112 K 4.1864 8.5625 126.3601 56.0651 32.8402 175.8411 113 K 4.4530 8.5273 125.9984 54.3420 33.5235 175.5185 114 Y 4.3012 8.4557 122.6000 58.2894 38.3590 175.1310 115 G 4.2137 9.0315 110.1300 45.7250 0.0000 174.0980 116 K 4.4355 7.1816 119.5637 55.7541 33.8055 175.3761 117 H 4.6390 8.1268 117.3827 56.5112 31.7110 174.6902 118 K 4.3836 8.2579 116.3171 56.7424 33.1992 172.6382 119 A 4.2598 8.9361 131.8198 52.4405 17.1726 178.7173 120 R 4.3899 7.6046 108.8824 56.9583 34.2686 174.3024 121 R 3.8049 8.1517 118.2398 56.0472 29.7399 175.4140 122 A 4.4217 8.3708 128.2262 51.3611 18.9751 176.0873 123 P 4.4822 0.0000 0.0000 62.6431 31.5022 173.4894 124 Q 3.3353 7.7658 124.3269 56.3503 30.0593 171.9762 125 Y 4.9210 8.3291 120.5573 56.0416 41.1881 173.5314 126 S 4.3095 8.3580 114.2462 56.9620 66.7774 174.0032 127 K 4.6710 8.3957 119.2774 56.6379 32.7235 176.5568 128 R 4.2107 7.8247 123.8619 56.8851 30.5618 175.5254 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 M 8.30 4.36 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 2 E 7.52 4.51 0.00 1.82 1.61 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 1.82 1.91 0.00 3 Q 8.10 4.25 0.00 1.69 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.21 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 4 Y 7.57 5.26 0.00 2.96 2.77 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 5 Y 9.50 3.01 0.00 2.98 2.35 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 6 G 9.97 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 0.00 0.00 0.00 0.00 7 T 8.10 4.76 4.35 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 1.27 0.00 0.00 8 G 9.64 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 0.00 0.00 0.00 9 R 7.94 5.73 0.00 1.70 1.84 0.00 3.32 0.00 0.00 3.90 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 10 R 8.82 4.11 0.00 1.82 1.76 0.00 3.18 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.51 0.00 11 K 9.66 3.90 0.00 1.78 1.97 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 12 E 8.15 3.61 0.00 2.15 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 2.17 2.24 0.00 13 A 8.21 5.20 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 14 V 8.78 4.63 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 0.96 0.00 0.00 0.95 0.00 0.00 15 A 8.47 5.19 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 16 R 8.53 5.44 0.00 1.83 2.13 0.00 3.52 0.00 0.00 3.29 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.49 0.00 17 V 8.52 4.46 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 1.09 0.00 0.00 1.04 0.00 0.00 18 F 9.84 4.84 0.00 3.35 2.86 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 19 L 10.66 5.04 0.00 2.09 2.46 0.61 1.11 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 20 R 8.50 4.51 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 21 P 0.00 4.00 0.00 1.94 1.74 0.00 3.61 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 22 G 9.32 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 23 N 8.66 4.06 0.00 2.71 2.90 0.00 0.00 7.00 7.65 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 24 G 8.16 4.17 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 0.00 0.00 0.00 25 K 8.19 4.78 0.00 1.82 1.91 0.00 1.18 0.00 0.00 2.49 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.31 7.81 26 V 8.22 4.55 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 1.17 0.00 0.00 27 T 9.77 4.32 4.35 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 1.34 0.00 0.00 28 V 7.73 3.89 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 0.59 0.00 0.00 0.02 0.00 0.00 29 N 7.19 3.64 0.00 2.67 2.33 0.00 0.00 7.06 7.64 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 30 G 8.35 3.39 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 0.00 31 Q 8.06 4.56 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 32 D 8.46 4.56 0.00 2.74 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 33 F 8.98 4.27 0.00 3.03 3.23 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 34 N 8.20 4.87 0.00 2.88 2.14 0.00 0.00 6.96 7.66 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 35 E 8.02 3.13 0.00 2.01 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 2.25 2.25 0.00 36 Y 7.71 4.32 0.00 2.59 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 37 F 9.08 5.06 0.00 2.78 2.39 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 38 Q 7.65 4.50 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 39 G 8.58 4.15 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 0.00 0.00 0.00 40 L 8.02 4.11 0.00 1.60 1.44 0.53 0.80 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 41 V 7.73 3.58 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 0.95 0.00 0.00 0.91 0.00 0.00 42 R 8.42 3.58 0.00 1.90 2.04 0.00 3.05 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 43 A 6.78 3.14 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 44 V 7.67 4.64 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 0.93 0.00 0.00 1.06 0.00 0.00 45 A 9.54 4.66 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 46 A 8.22 4.37 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 47 L 7.66 4.34 0.00 1.69 1.61 -0.30 0.57 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 48 E 8.13 3.99 0.00 2.47 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 2.69 2.63 0.00 49 P 0.00 3.98 0.00 2.20 2.26 0.00 3.77 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 50 L 7.81 4.48 0.00 1.89 1.87 0.87 0.47 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 51 R 8.14 4.12 0.00 1.85 1.92 0.00 3.30 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 52 A 7.72 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 6.95 4.55 2.39 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 0.94 0.00 0.00 1.08 0.00 0.00 54 D 8.65 4.80 0.00 2.73 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 55 A 7.44 4.49 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.20 4.75 0.00 1.72 1.65 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.48 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 58 H 8.34 4.07 0.00 3.30 2.62 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.31 4.77 0.00 3.06 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 60 D 9.09 5.26 0.00 2.93 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.62 4.37 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 62 Y 8.84 4.57 0.00 3.13 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 63 I 7.60 5.43 1.86 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 1.43 1.19 1.00 0.00 0.00 64 T 8.19 4.52 4.10 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 1.10 0.00 0.00 65 V 8.05 4.29 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 0.89 0.00 0.00 1.07 0.00 0.00 66 R 9.57 4.49 0.00 1.83 1.76 0.00 3.16 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 G 9.15 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 0.00 0.00 0.00 68 G 8.98 4.15 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 0.00 0.00 0.00 69 G 8.75 3.96 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 0.00 70 K 8.67 4.06 0.00 1.68 1.42 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.57 7.81 71 S 7.44 3.76 0.00 3.79 3.74 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 72 G 8.04 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 0.00 0.00 0.00 73 Q 8.17 4.12 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 74 I 8.25 3.89 1.82 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.49 0.87 0.00 0.00 75 D 8.17 4.50 0.00 2.73 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 76 A 7.55 4.40 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.72 2.18 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.27 1.07 0.00 0.00 78 K 7.66 3.89 0.00 1.90 1.87 0.00 1.58 0.00 0.00 1.41 0.00 0.00 2.69 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.70 7.81 79 L 8.06 4.10 0.00 1.78 1.82 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.09 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 0.00 0.00 0.00 81 I 8.55 3.82 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.95 0.85 0.00 0.00 82 A 7.63 4.54 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 83 R 8.73 3.88 0.00 1.94 2.19 0.00 3.55 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 84 A 8.44 3.97 1.24 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 0.00 0.00 0.00 85 L 7.52 3.50 0.00 1.43 1.48 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.66 3.75 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 0.69 0.00 0.00 0.93 0.00 0.00 87 Q 8.10 3.96 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.07 0.00 0.00 0.00 0.00 0.00 1.89 1.54 0.00 88 Y 7.41 4.09 0.00 2.37 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 0.00 0.00 0.00 0.00 89 N 7.91 4.70 0.00 2.34 2.06 0.00 0.00 7.00 7.89 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 90 P 0.00 4.65 0.00 2.13 2.06 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 91 D 8.19 4.54 0.00 2.85 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 92 Y 8.74 4.11 0.00 3.00 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 93 R 7.53 4.32 0.00 2.20 1.89 0.00 3.15 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 94 A 7.57 4.60 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 95 K 8.32 4.57 0.00 1.78 1.83 0.00 1.33 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.00 1.18 7.81 96 L 7.84 4.16 0.00 1.93 1.73 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.11 4.01 0.00 1.89 1.78 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.53 7.81 98 P 0.00 4.23 0.00 2.09 2.12 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 99 L 7.70 4.38 0.00 2.18 2.33 1.06 1.02 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 0.00 100 G 8.55 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 0.00 101 F 8.21 3.79 0.00 3.02 3.24 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 0.00 102 L 8.97 4.64 0.00 1.68 1.60 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.06 4.31 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 1.25 0.00 0.00 104 R 8.21 3.94 0.00 1.79 1.96 0.00 3.39 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 105 D 7.91 4.22 0.00 2.82 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 0.00 106 A 8.66 4.08 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 0.00 107 R 7.45 3.76 0.00 1.81 1.89 0.00 3.20 0.00 0.00 3.69 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 108 V 7.91 4.41 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 0.66 0.00 0.00 0.93 0.00 0.00 109 V 8.30 3.57 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 0.81 0.00 0.00 0.93 0.00 0.00 110 E 8.51 4.24 0.00 2.11 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 2.27 2.29 0.00 111 R 8.33 3.87 0.00 1.77 1.86 0.00 3.18 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 112 K 8.56 4.19 0.00 1.76 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 113 K 8.53 4.45 0.00 1.91 1.77 0.00 1.98 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.61 7.81 114 Y 8.46 4.30 0.00 2.96 2.93 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 0.00 115 G 9.03 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 0.00 0.00 0.00 0.00 116 K 7.18 4.44 0.00 1.91 1.83 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.55 7.81 117 H 8.13 4.64 0.00 3.39 3.25 0.00 5.83 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 0.00 118 K 8.26 4.38 0.00 1.76 1.73 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.18 7.81 119 A 8.94 4.26 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 0.00 120 R 7.60 4.39 0.00 1.76 1.92 0.00 3.25 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 121 R 8.15 3.80 0.00 1.82 1.92 0.00 3.36 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 122 A 8.37 4.42 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 0.00 123 P 0.00 4.48 0.00 2.21 2.16 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 124 Q 7.77 3.34 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 125 Y 8.33 4.92 0.00 3.09 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 0.00 126 S 8.36 4.31 0.00 3.78 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 0.00 127 K 8.40 4.67 0.00 1.90 1.98 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.40 7.81 128 R 7.82 4.21 0.00 1.75 1.81 0.00 3.39 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00