NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6332 8.4293 120.3922 55.2715 30.4703 174.7994 6 E 4.5451 8.8473 110.3282 52.7358 32.2484 174.6935 7 T 4.2822 8.6268 111.1903 61.1767 72.0120 176.5524 8 D 4.4136 8.5703 121.0714 57.6258 40.7734 179.0202 9 E 4.0640 8.1573 118.5651 59.5814 29.5954 179.1237 10 E 4.0452 7.8342 118.9906 59.0750 29.5770 179.3006 11 F 4.1875 8.3565 120.7659 61.5309 39.5406 176.7912 12 D 4.5340 8.5157 118.3543 57.5212 40.5745 178.9134 13 A 4.0166 8.2557 121.0166 55.2655 18.4247 179.7200 14 R 3.7245 7.8546 116.5559 59.3962 30.0985 179.4065 15 W 3.9615 7.8880 118.1826 59.3721 29.0153 178.9011 16 V 3.7951 8.2037 118.4642 66.3949 30.7999 178.0975 17 T 3.8622 7.9266 114.3661 66.7858 68.0887 175.4597 18 Y 3.9867 7.7371 121.1876 60.8920 38.6007 178.2550 19 F 4.6609 8.0768 116.1060 59.5988 39.2527 176.6789 20 N 4.7981 7.9510 114.6856 52.5515 39.0799 175.0226 21 K 3.8587 7.3091 122.4083 56.0622 32.6169 174.8786 22 P 4.2589 0.0000 0.0000 65.7635 31.2392 177.8666 23 D 4.8446 7.7190 114.5906 52.9676 40.0455 176.2446 24 I 3.7712 7.4151 120.4757 62.2336 38.5920 175.8514 25 D 4.8226 8.6320 127.4306 51.9678 42.6415 177.2614 26 A 4.0227 8.4491 120.0338 55.1433 18.2662 179.2760 27 W 4.0658 8.4148 126.3531 60.9772 30.8237 177.9300 28 E 4.3537 9.5128 118.7190 59.1387 28.8313 179.2572 29 L 4.3350 7.9871 120.6217 58.3135 42.2688 179.2264 30 R 3.8826 8.0911 118.0270 59.1025 30.0334 178.9025 31 K 3.7016 8.0515 119.9417 59.2393 31.9541 179.0066 32 G 3.7633 8.3801 105.8723 48.2805 0.0000 175.6640 33 M 4.1198 8.4410 121.7350 58.1334 31.7819 178.7339 34 N 4.3208 8.4472 115.8305 56.2676 38.9110 177.4332 35 T 3.9356 7.9063 117.3418 66.2641 68.6950 176.6312 36 L 3.4622 7.7919 122.9114 58.0755 42.0436 178.8528 37 V 3.8464 7.4092 108.9182 62.4184 31.4515 177.1216 38 G 3.5587 7.3855 108.8190 46.9591 0.0000 174.0802 39 Y 4.5781 6.8922 117.0837 57.5810 39.0861 175.7077 40 D 4.6508 8.3341 122.7602 51.2303 39.7423 174.9675 41 L 4.2905 7.0220 119.1067 55.1232 42.8909 174.6114 42 V 4.2271 8.2372 119.7687 60.3530 32.5437 174.0179 43 P 4.4524 0.0000 0.0000 62.4464 32.0822 176.1729 44 E 4.2288 8.7127 120.8184 55.8894 30.3377 176.3374 45 P 4.2840 0.0000 0.0000 65.7924 31.4254 179.1358 46 K 4.1193 8.0849 117.0666 60.0147 32.4577 179.2302 47 I 3.9555 7.8752 121.0007 64.2443 37.0412 178.3787 48 I 3.6194 7.6978 120.2524 64.1297 36.9410 177.5363 49 D 4.2664 8.7110 119.0432 57.5414 41.1731 178.1970 50 A 4.0438 7.9798 120.3395 55.3545 18.5260 179.5096 51 A 3.5860 7.9628 119.0874 54.9506 18.3054 179.9094 52 L 3.8942 8.0828 117.9072 57.9690 41.5912 179.9333 53 R 3.9652 8.0626 117.8971 59.0732 29.9928 178.9520 54 A 4.0435 7.9287 120.5237 55.2412 18.3008 179.4691 55 C 4.1032 7.9009 115.0499 62.7841 28.0866 176.2657 56 R 3.8873 7.8628 120.1634 59.7001 29.5788 178.9005 57 R 4.0298 8.0813 116.1848 58.4248 30.0327 177.9873 58 L 4.5112 7.5461 116.4454 53.1270 42.3760 175.8287 59 N 4.1560 8.2533 115.7547 54.7522 36.6538 174.9931 60 D 4.8201 8.2131 117.9988 52.2290 41.7805 174.8308 61 F 4.2156 8.6893 127.9024 60.6688 40.3238 177.1214 62 A 3.9889 8.4329 122.0854 55.6458 17.9634 179.7128 63 S 4.0413 8.5511 113.1003 61.4623 62.6753 176.8100 64 A 3.8099 7.5953 123.2719 54.9745 18.0469 179.9059 65 V 3.3468 7.1120 116.2989 65.9170 31.6873 178.0064 66 R 4.3442 7.7719 119.8187 59.0059 29.9932 178.5330 67 I 3.6379 7.8928 119.7508 64.3877 37.0659 178.4627 68 L 4.1209 7.6440 119.6533 57.6668 41.4172 179.3693 69 E 3.8516 8.2197 119.0532 59.2220 29.3606 179.7431 70 V 3.5985 7.9152 119.3718 64.6832 31.2504 178.6457 71 V 3.6396 7.4607 117.8268 65.5869 31.7546 177.6615 72 K 3.9757 7.7490 119.0387 59.2802 31.8962 178.2952 73 D 4.2500 7.9752 118.3314 57.3937 40.9801 178.3959 74 K 3.9105 8.3118 117.5563 59.0303 32.3228 178.3856 75 A 4.2767 8.1275 119.8296 50.8045 18.7121 179.0089 76 G 3.7167 8.4443 106.0245 46.2595 0.0000 175.2761 77 P 4.3844 0.0000 0.0000 64.3853 31.9301 176.6808 78 H 4.7112 7.8099 118.7567 54.1910 26.8089 175.8800 79 K 4.0709 8.1157 121.4530 58.5716 32.2529 177.8694 80 E 4.3506 8.1014 115.6170 57.3712 30.7315 178.6192 81 I 3.7209 8.0555 121.9210 64.6451 37.2244 177.3497 82 Y 4.2585 8.0706 119.8658 60.4198 38.7113 176.0946 83 P 4.1433 0.0000 0.0000 65.7157 31.4115 177.9776 84 Y 4.0223 7.6465 118.0803 60.5200 38.7290 178.0371 85 V 3.3083 7.9152 119.2075 65.9945 31.4540 178.0222 86 I 3.4403 7.3822 118.7503 64.1212 37.0932 177.8310 87 Q 3.9695 7.6588 120.3123 59.4511 28.7126 178.5076 88 E 3.8480 7.6392 117.8830 58.6129 29.7144 178.4051 89 L 4.3404 7.5645 117.1515 54.3627 41.9595 178.0955 90 R 3.8127 7.5230 120.2190 59.2626 29.9324 176.1959 91 P 4.2160 0.0000 0.0000 66.0380 31.3135 178.7905 92 T 3.9318 7.7896 113.9114 66.5222 68.3810 176.6596 93 L 3.9858 8.3670 121.3712 57.7620 41.4976 179.3623 94 N 4.2951 8.4008 116.5554 56.2899 38.3383 176.8251 95 E 3.9529 8.3516 119.5030 59.3695 29.8495 178.3528 96 L 4.4183 8.1047 115.6764 54.1304 42.1632 176.9564 97 G 3.7905 7.6150 107.0203 46.5524 0.0000 174.0109 98 I 4.4905 7.9149 121.7974 60.0429 37.0810 176.2349 99 S 4.6657 9.0052 122.6854 57.9515 63.4823 175.3055 100 T 4.2240 8.6365 115.5638 60.7684 70.6230 173.8062 101 P 4.2566 0.0000 0.0000 66.0911 31.3064 178.4810 102 E 4.5844 8.1514 117.7804 59.1924 29.3203 179.1915 103 E 4.3219 7.6968 116.0923 58.6127 29.6169 178.4183 104 L 4.6108 7.4160 116.4590 53.5182 42.3384 176.9296 105 G 3.9218 8.2328 107.2033 46.4502 0.0000 174.6608 106 L 4.2824 8.2209 118.4599 55.1903 41.9382 177.1843 107 D 4.7109 7.9563 118.2871 52.6578 40.0796 175.5276 108 K 4.6749 7.5569 119.3299 55.0535 34.5685 176.5960 109 V 3.7805 8.2977 114.2594 61.7909 31.4520 176.0074 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 5 H 8.43 4.63 0.00 3.11 2.89 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.85 4.55 0.00 2.34 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 2.27 2.50 0.00 7 T 8.63 4.28 4.51 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 1.23 0.00 0.00 8 D 8.57 4.41 0.00 2.74 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 9 E 8.16 4.06 0.00 2.10 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 2.43 2.50 0.00 10 E 7.83 4.05 0.00 2.34 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 2.36 2.35 0.00 11 F 8.36 4.19 0.00 3.10 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 12 D 8.52 4.53 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.26 4.02 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 14 R 7.85 3.72 0.00 1.76 1.54 0.00 2.92 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 15 W 7.89 3.96 0.00 3.27 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 16 V 8.20 3.80 2.30 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 1.11 0.00 0.00 1.17 0.00 0.00 17 T 7.93 3.86 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 1.18 0.00 0.00 18 Y 7.74 3.99 0.00 2.75 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 19 F 8.08 4.66 0.00 3.28 3.22 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 0.00 0.00 0.00 0.00 20 N 7.95 4.80 0.00 3.00 2.89 0.00 0.00 6.90 7.76 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 21 K 7.31 3.86 0.00 1.67 1.57 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.33 7.81 22 P 0.00 4.26 0.00 2.07 2.13 0.00 3.69 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 2.11 0.00 23 D 7.72 4.84 0.00 2.77 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 24 I 7.42 3.77 1.91 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 1.38 0.84 1.01 0.00 0.00 25 D 8.63 4.82 0.00 3.08 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 26 A 8.45 4.02 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 0.00 0.00 0.00 0.00 0.00 27 W 8.41 4.07 0.00 3.46 3.43 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 28 E 9.51 4.35 0.00 2.25 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 2.75 2.88 0.00 29 L 7.99 4.33 0.00 1.93 1.93 1.01 0.98 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 30 R 8.09 3.88 0.00 1.81 1.82 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 31 K 8.05 3.70 0.00 0.79 1.46 0.00 1.26 0.00 0.00 1.29 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.41 7.81 32 G 8.38 3.76 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 0.00 0.00 0.00 33 M 8.44 4.12 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 34 N 8.45 4.32 0.00 2.61 2.79 0.00 0.00 7.13 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 35 T 7.91 3.94 4.53 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 1.33 0.00 0.00 36 L 7.79 3.46 0.00 1.02 1.55 0.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.41 3.85 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 0.61 0.00 0.00 0.91 0.00 0.00 38 G 7.39 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 39 Y 6.89 4.58 0.00 2.98 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 40 D 8.33 4.65 0.00 2.64 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 41 L 7.02 4.29 0.00 1.69 1.50 1.06 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.24 4.23 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 0.90 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.45 0.00 2.07 1.97 0.00 3.74 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 1.98 2.10 0.00 44 E 8.71 4.23 0.00 2.09 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 2.50 2.73 0.00 45 P 0.00 4.28 0.00 2.12 2.02 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 46 K 8.08 4.12 0.00 2.03 2.12 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.62 7.81 47 I 7.88 3.96 2.04 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 1.70 1.01 1.15 0.00 0.00 48 I 7.70 3.62 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.92 0.85 0.00 0.00 49 D 8.71 4.27 0.00 2.77 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 50 A 7.98 4.04 1.58 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 0.00 0.00 51 A 7.96 3.59 0.46 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 52 L 8.08 3.89 0.00 1.81 1.68 0.87 1.08 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 53 R 8.06 3.97 0.00 2.08 2.00 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 54 A 7.93 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.90 4.10 0.00 3.24 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 56 R 7.86 3.89 0.00 1.97 2.17 0.00 3.19 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 1.65 1.74 0.00 57 R 8.08 4.03 0.00 1.99 2.01 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 58 L 7.55 4.51 0.00 1.85 1.72 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.25 4.16 0.00 2.83 2.89 0.00 0.00 6.61 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 60 D 8.21 4.82 0.00 2.72 2.57 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 61 F 8.69 4.22 0.00 3.16 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 62 A 8.43 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 63 S 8.55 4.04 0.00 3.95 3.87 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 64 A 7.60 3.81 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 0.00 0.00 0.00 0.00 0.00 65 V 7.11 3.35 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 0.97 0.00 0.00 0.38 0.00 0.00 66 R 7.77 4.34 0.00 1.91 1.99 0.00 3.26 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 67 I 7.89 3.64 1.92 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.79 0.00 0.00 68 L 7.64 4.12 0.00 1.79 1.88 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.22 3.85 0.00 2.14 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 2.24 2.39 0.00 70 V 7.92 3.60 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 0.92 0.00 0.00 0.87 0.00 0.00 71 V 7.46 3.64 2.30 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 0.94 0.00 0.00 1.00 0.00 0.00 72 K 7.75 3.98 0.00 0.79 1.52 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.08 7.81 73 D 7.98 4.25 0.00 2.76 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 74 K 8.31 3.91 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.58 7.81 75 A 8.13 4.28 1.48 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 0.00 0.00 76 G 8.44 3.72 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 0.00 0.00 0.00 77 P 0.00 4.38 0.00 2.08 2.11 0.00 3.91 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 78 H 7.81 4.71 0.00 3.43 3.30 0.00 5.83 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 79 K 8.12 4.07 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.40 7.81 80 E 8.10 4.35 0.00 2.13 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 2.35 2.26 0.00 81 I 8.06 3.72 1.96 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 1.40 0.92 1.01 0.00 0.00 82 Y 8.07 4.26 0.00 2.94 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 83 P 0.00 4.14 0.00 2.24 2.11 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 84 Y 7.65 4.02 0.00 3.03 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 85 V 7.92 3.31 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 0.94 0.00 0.00 1.13 0.00 0.00 86 I 7.38 3.44 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.05 0.72 0.00 0.00 87 Q 7.66 3.97 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 88 E 7.64 3.85 0.00 1.81 1.79 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 1.50 1.75 0.00 89 L 7.56 4.34 0.00 1.59 1.61 0.86 0.59 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 90 R 7.52 3.81 0.00 2.08 1.91 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 91 P 0.00 4.22 0.00 2.17 2.07 0.00 3.64 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 2.08 2.15 0.00 92 T 7.79 3.93 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 1.22 0.00 0.00 93 L 8.37 3.99 0.00 1.74 1.90 0.87 0.62 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 94 N 8.40 4.30 0.00 2.94 2.86 0.00 0.00 6.66 8.51 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 95 E 8.35 3.95 0.00 1.96 2.20 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 2.34 2.37 0.00 96 L 8.10 4.42 0.00 1.68 1.74 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.61 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 98 I 7.91 4.49 1.90 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 1.32 0.69 0.85 0.00 0.00 99 S 9.01 4.67 0.00 4.10 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 0.00 100 T 8.64 4.22 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 1.23 0.00 0.00 101 P 0.00 4.26 0.00 2.17 2.14 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 102 E 8.15 4.58 0.00 2.11 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 2.49 2.60 0.00 103 E 7.70 4.32 0.00 2.25 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 2.40 0.00 104 L 7.42 4.61 0.00 1.80 1.76 1.20 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.23 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 0.00 106 L 8.22 4.28 0.00 1.77 1.72 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.96 4.71 0.00 2.82 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 0.00 108 K 7.56 4.67 0.00 1.86 1.82 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 109 V 8.30 3.78 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 0.66 0.00 0.00 0.92 0.00 0.00