NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3530 8.3049 120.3391 55.0769 33.5897 174.7900 2 I 3.9784 8.0958 127.4706 59.4364 38.2609 173.5336 3 I 5.0656 8.4386 119.2900 59.0788 41.5294 173.7313 4 E 4.5505 9.6401 123.9259 55.7476 33.0612 176.0738 5 G 4.4837 9.0995 110.6821 46.6645 0.0000 172.5718 6 D 4.8851 8.4128 114.6161 53.9866 42.0829 176.9593 7 G 4.1630 7.8681 106.3683 45.8382 0.0000 173.1510 8 I 5.3038 7.6220 119.1319 58.9773 41.4395 174.1811 9 L 4.9730 8.3724 126.0532 52.6208 44.8074 176.3149 10 D 4.9811 8.9248 122.2485 54.7128 41.7284 175.3932 11 K 4.5672 8.1968 118.0291 55.0507 35.9885 175.9267 12 R 4.3551 8.0245 115.8916 54.7324 30.8124 177.4759 13 S 4.0631 8.5742 113.6190 61.2707 62.7404 175.2685 14 E 4.1774 7.9906 116.2470 56.9718 30.0871 175.9646 15 D 4.6544 7.6257 120.0382 53.1262 42.2248 176.5621 16 A 3.9932 8.6301 126.3328 54.5195 18.6724 177.2016 17 G 4.2510 7.5528 99.5872 44.6657 0.0000 171.3203 18 Y 4.8111 8.9000 117.2346 56.0912 40.5268 175.6315 19 D 5.0003 8.7505 123.5306 54.3693 42.4286 175.0567 20 L 5.1545 8.9437 123.2398 53.1347 44.1110 175.6747 21 L 5.2892 8.6405 122.0827 52.8165 45.3026 175.3821 22 A 4.4401 8.4104 122.9984 51.7094 19.0636 178.7514 23 A 4.3993 9.0383 125.3943 54.3143 19.1204 177.2825 24 K 4.6004 7.6726 112.2558 55.2554 35.9613 175.6387 25 E 4.3171 8.7626 122.1509 56.5712 30.2016 175.8421 26 I 4.6654 8.9605 127.2277 59.6664 41.1009 173.9044 27 H 5.1100 8.9064 125.3781 54.5280 31.9971 172.5224 28 L 4.8256 8.7526 127.2266 53.1293 43.4959 176.8224 29 L 4.7063 9.0180 124.3244 52.4917 43.5006 174.9296 30 P 4.3162 0.0000 0.0000 64.3590 31.4861 177.4277 31 G 3.8992 8.9042 110.8216 45.6222 0.0000 173.2410 32 E 4.3232 8.0632 121.3160 55.7497 31.2404 175.3861 33 V 4.9153 8.2239 123.5673 61.1701 34.2511 174.6953 34 K 4.6291 8.8674 125.8444 54.9306 36.9479 175.8370 35 V 4.7298 8.2733 123.0954 61.0233 30.8308 173.5815 36 I 3.8731 8.7334 126.3822 60.6985 38.2119 173.5014 37 P 4.8721 0.0000 0.0000 62.9973 32.4498 176.7532 38 T 4.4122 8.0895 110.7175 59.4429 71.3257 175.6812 39 G 3.9356 8.5478 110.0112 46.0747 0.0000 172.4129 40 V 4.9248 7.4039 119.4119 60.7828 34.2557 174.7849 41 K 5.1946 8.8037 125.4054 54.8185 36.2343 175.1359 42 L 4.8627 8.3008 121.7966 55.2063 43.7062 174.9448 43 M 4.6285 8.2718 119.4155 53.2196 33.2366 176.0061 44 L 4.1434 8.4260 123.6299 53.5451 42.8979 175.9484 45 P 4.3631 0.0000 0.0000 62.1671 31.9159 176.2051 46 K 4.1285 8.6455 121.4248 58.6074 32.5509 177.4615 47 G 3.9474 9.7481 111.8855 45.2104 0.0000 172.1805 48 Y 5.4063 7.9162 116.2905 56.0049 41.2562 174.4881 49 W 5.3932 9.6586 117.4621 55.1531 32.5787 173.8516 50 G 4.4042 9.1019 107.1632 44.2581 0.0000 172.1012 51 L 5.1677 8.3115 125.6837 53.0401 44.5230 175.0687 52 I 4.7720 8.7224 128.5115 60.4014 38.0550 175.2719 53 I 4.6430 8.5121 127.0717 58.7102 41.6746 174.8969 54 G 4.1481 8.8497 115.2159 46.5373 0.0000 172.3346 55 K 4.7374 8.2885 118.4473 54.2563 34.8500 177.4569 56 S 4.0884 8.3605 115.8312 61.8821 62.4282 176.8648 57 S 4.1217 8.0202 117.4025 62.0765 63.0487 176.7778 58 I 4.0910 7.7958 114.6380 63.2852 37.6841 178.1842 59 G 3.7683 7.9412 107.5522 48.0322 0.0000 175.3102 60 S 4.3693 7.7312 112.4341 58.7867 62.9497 174.6211 61 K 4.2875 7.9344 120.6320 56.5021 32.6191 177.0359 62 G 3.9629 8.5061 108.3053 44.9534 0.0000 172.4926 63 L 5.2138 7.7271 118.8013 52.6991 44.6658 174.9693 64 D 5.0186 8.7075 121.1929 52.4538 45.3062 174.0552 65 V 4.8410 8.3327 122.0784 61.3394 32.9630 174.9352 66 L 4.6837 8.9515 127.9945 52.5178 44.3668 179.9787 67 G 3.6664 9.7764 110.8673 46.3111 0.0000 174.9484 68 G 4.0309 9.1844 114.5485 44.5848 0.0000 171.9734 69 V 4.8319 7.6479 119.5060 61.2912 32.9455 174.9912 70 I 4.3407 8.9116 130.5545 59.9415 38.6932 175.3050 71 D 4.9138 8.6407 127.3453 53.7085 41.7147 177.0614 72 E 3.9768 9.3657 123.2734 59.5669 29.5699 178.4546 73 G 3.8215 8.0405 104.7612 46.6425 0.0000 173.1422 74 Y 4.3703 7.9755 121.7209 58.5177 39.0022 175.8511 75 R 4.3451 7.6814 123.0276 55.4687 32.0841 175.3963 76 G 3.5998 5.3800 105.8580 45.0309 0.0000 172.3842 77 E 4.5282 8.4585 120.2805 55.3476 30.6341 176.8177 78 I 4.2281 8.9189 127.6408 61.0995 37.7440 175.5779 79 G 4.2182 8.7710 113.9585 44.3347 0.0000 172.3488 80 V 4.3513 8.8097 123.9282 61.0897 33.5533 174.7826 81 I 4.5632 8.3340 129.6907 60.8714 38.2897 174.4384 82 M 5.2496 8.9285 127.4085 53.5570 35.6487 174.0002 83 I 4.8908 8.4343 124.9479 59.1900 41.4691 173.6499 84 N 4.8250 9.0343 128.3894 52.6887 39.4797 175.1050 85 V 4.2179 8.7090 126.9311 63.2696 32.3386 175.9043 86 S 4.4873 7.8967 114.3409 58.5821 64.4663 174.0859 87 R 4.4619 8.4373 116.4037 55.7994 29.8980 175.8423 88 K 4.8006 7.5672 116.5028 54.8842 36.3759 175.9840 89 S 4.6452 8.5001 115.9018 58.5022 64.3088 173.6173 90 I 4.8055 8.6302 123.1719 59.8051 41.2276 174.6178 91 T 4.9971 8.3741 120.5479 61.8989 71.6184 173.2568 92 L 4.7107 8.8047 127.5815 53.3558 43.4063 176.5786 93 M 4.5779 9.0409 124.3516 54.5862 33.5388 175.8952 94 E 4.1192 8.5790 121.8375 57.6846 30.2348 176.9445 95 R 3.9570 9.0798 123.8800 56.8011 28.5425 175.9457 96 Q 4.2868 7.6973 119.6789 55.5445 30.3934 175.3380 97 K 4.7346 8.6497 125.5679 56.6554 32.0933 176.6890 98 I 4.5489 8.8467 117.4687 61.1822 39.9970 174.5485 99 A 4.5981 7.4813 122.2768 51.4720 22.6325 174.5523 100 Q 5.0753 8.7423 114.8573 54.2380 33.4133 174.7566 101 L 5.1527 9.1108 124.0490 53.4233 44.9957 175.0557 102 I 4.8187 8.4372 126.8287 59.5052 40.4363 174.8126 103 I 4.5243 8.4912 127.8810 60.5538 37.6094 175.0596 104 L 4.9790 8.1403 127.5642 51.9840 44.9165 174.6604 105 P 4.7742 0.0000 0.0000 62.5311 32.6331 175.0475 106 C 5.0105 8.4964 115.5450 56.4563 32.6547 173.2112 107 K 4.2969 8.6423 122.3911 55.3509 33.0183 174.9357 108 H 4.7601 8.6545 125.5635 54.4538 31.1737 173.3230 109 E 4.7268 8.0128 124.6363 54.7213 33.6182 174.9922 110 V 4.0953 8.0200 113.3620 60.1607 33.0453 176.0740 111 L 4.2496 8.2679 123.3966 53.7506 41.8606 176.4652 112 E 4.3659 8.4634 124.6290 54.2652 29.4485 175.9611 113 Q 4.0671 8.5992 123.8105 56.4131 29.5120 176.3324 114 G 3.8527 8.2152 114.3947 44.6901 0.0000 171.2154 115 K 4.4705 8.4498 121.4865 54.1799 34.5193 175.9868 116 V 3.6667 8.4127 124.5444 62.6432 31.9646 175.0864 117 V 4.1169 8.1522 127.1836 61.9023 32.9676 176.6652 118 M 4.4864 8.4617 129.0542 54.9364 30.1863 175.9848 119 D 4.9783 7.5174 113.7830 52.5585 40.9127 176.9861 120 S 4.6649 7.6769 111.9978 58.2189 66.2724 174.0732 121 E 4.3724 8.3396 120.8642 52.8303 28.3244 175.4494 122 R 4.8245 8.6727 135.0000 58.2791 30.8521 178.4787 123 G 3.7809 7.3814 102.3101 46.8347 0.0000 173.4886 124 D 4.4844 8.2635 120.5456 55.8345 42.5590 177.0809 125 N 4.3848 8.1555 116.0765 53.7050 38.9898 174.2043 126 G 3.7620 8.5999 108.5724 46.5969 0.0000 171.7349 127 Y 3.3930 8.4622 113.7920 59.4964 34.5841 170.1861 128 G 4.2655 8.1528 103.7574 46.0323 0.0000 176.6145 129 S 4.1171 8.2219 115.5826 60.4299 63.3691 174.9279 130 T 4.3502 8.0810 108.1673 60.9396 69.4992 175.0449 131 G 3.8459 7.7373 108.8481 44.8026 0.0000 173.1498 132 V 3.7493 8.2471 116.7716 63.8958 32.2736 177.0635 133 F 4.4337 8.0621 121.8987 57.4319 39.1907 175.0460 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 4.35 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 2 I 8.10 3.98 1.84 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 0.78 0.88 0.00 0.00 3 I 8.44 5.07 1.81 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 1.18 0.62 0.80 0.00 0.00 4 E 9.64 4.55 0.00 1.94 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 2.16 2.20 0.00 5 G 9.10 4.48 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 0.00 6 D 8.41 4.89 0.00 2.67 2.64 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 7 G 7.87 4.16 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 8 I 7.62 5.30 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.87 0.00 0.00 9 L 8.37 4.97 0.00 1.61 1.54 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.92 4.98 0.00 2.60 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 11 K 8.20 4.57 0.00 1.53 1.41 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.45 1.05 7.81 12 R 8.02 4.36 0.00 1.97 2.06 0.00 2.95 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 13 S 8.57 4.06 0.00 3.97 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 14 E 7.99 4.18 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 2.22 2.28 0.00 15 D 7.63 4.65 0.00 2.71 2.50 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 16 A 8.63 3.99 1.22 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 0.00 0.00 17 G 7.55 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 0.00 0.00 0.00 0.00 18 Y 8.90 4.81 0.00 2.88 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 19 D 8.75 5.00 0.00 2.66 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 20 L 8.94 5.15 0.00 1.59 1.57 0.94 0.77 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 21 L 8.64 5.29 0.00 1.55 1.55 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.41 4.44 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 23 A 9.04 4.40 1.28 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 0.00 0.00 24 K 7.67 4.60 0.00 1.73 1.76 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.45 7.81 25 E 8.76 4.32 0.00 2.01 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 2.31 2.36 0.00 26 I 8.96 4.67 1.88 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 1.30 0.97 0.92 0.00 0.00 27 H 8.91 5.11 0.00 3.10 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.75 4.83 0.00 1.55 1.55 0.91 0.39 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 29 L 9.02 4.71 0.00 1.61 1.61 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.32 0.00 2.04 2.05 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 31 G 8.90 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 32 E 8.06 4.32 0.00 2.11 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 2.31 2.26 0.00 33 V 8.22 4.92 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 0.94 0.00 0.00 0.93 0.00 0.00 34 K 8.87 4.63 0.00 1.72 1.62 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.35 1.37 7.81 35 V 8.27 4.73 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 0.94 0.00 0.00 36 I 8.73 3.87 1.88 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 1.48 0.73 0.92 0.00 0.00 37 P 0.00 4.87 0.00 2.19 2.19 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 T 8.09 4.41 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 1.27 0.00 0.00 39 G 8.55 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 0.00 0.00 0.00 40 V 7.40 4.92 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 0.82 0.00 0.00 1.03 0.00 0.00 41 K 8.80 5.19 0.00 1.66 1.54 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.32 7.81 42 L 8.30 4.86 0.00 1.52 1.54 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.27 4.63 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 44 L 8.43 4.14 0.00 1.72 1.69 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.36 0.00 1.86 1.84 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 46 K 8.65 4.13 0.00 1.80 1.85 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 47 G 9.75 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 48 Y 7.92 5.41 0.00 3.01 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 49 W 9.66 5.39 0.00 3.63 3.11 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 50 G 9.10 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 0.00 0.00 0.00 0.00 51 L 8.31 5.17 0.00 0.95 1.27 1.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.72 4.77 1.90 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 1.28 0.98 0.93 0.00 0.00 53 I 8.51 4.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.89 0.00 0.00 54 G 8.85 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 55 K 8.29 4.74 0.00 1.80 1.70 0.00 1.93 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 56 S 8.36 4.09 0.00 3.85 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 57 S 8.02 4.12 0.00 3.83 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 58 I 7.80 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.56 0.95 0.00 0.00 59 G 7.94 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 0.00 0.00 0.00 60 S 7.73 4.37 0.00 4.07 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 61 K 7.93 4.29 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.55 7.81 62 G 8.51 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 63 L 7.73 5.21 0.00 1.72 1.55 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.71 5.02 0.00 2.75 2.45 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 0.00 0.00 0.00 0.00 65 V 8.33 4.84 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 0.88 0.00 0.00 0.96 0.00 0.00 66 L 8.95 4.68 0.00 1.51 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.78 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 68 G 9.18 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 69 V 7.65 4.83 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 0.83 0.00 0.00 1.02 0.00 0.00 70 I 8.91 4.34 2.06 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 1.40 1.11 1.03 0.00 0.00 71 D 8.64 4.91 0.00 2.67 2.64 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 72 E 9.37 3.98 0.00 2.25 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 2.38 2.46 0.00 73 G 8.04 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.98 4.37 0.00 2.90 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 75 R 7.68 4.35 0.00 1.59 1.66 0.00 3.40 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 76 G 5.38 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.46 4.53 0.00 1.95 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 2.31 2.52 0.00 78 I 8.92 4.23 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.95 0.00 0.00 79 G 8.77 4.22 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 0.00 0.00 0.00 80 V 8.81 4.35 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 1.05 0.00 0.00 0.95 0.00 0.00 81 I 8.33 4.56 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 1.23 0.40 0.91 0.00 0.00 82 M 8.93 5.25 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 83 I 8.43 4.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.48 0.97 0.00 0.00 84 N 9.03 4.82 0.00 2.82 2.82 0.00 0.00 6.57 8.50 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 85 V 8.71 4.22 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 0.83 0.00 0.00 0.97 0.00 0.00 86 S 7.90 4.49 0.00 3.91 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 87 R 8.44 4.46 0.00 1.81 1.98 0.00 3.31 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 88 K 7.57 4.80 0.00 1.72 1.74 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 89 S 8.50 4.65 0.00 3.82 3.68 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 90 I 8.63 4.81 1.83 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 1.21 0.78 0.89 0.00 0.00 91 T 8.37 5.00 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 1.23 0.00 0.00 92 L 8.80 4.71 0.00 1.58 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 93 M 9.04 4.58 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 94 E 8.58 4.12 0.00 1.93 1.86 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 2.30 2.39 0.00 95 R 9.08 3.96 0.00 1.97 2.06 0.00 3.21 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 96 Q 7.70 4.29 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 97 K 8.65 4.73 0.00 1.69 1.75 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 98 I 8.85 4.55 1.88 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 1.33 0.68 0.97 0.00 0.00 99 A 7.48 4.60 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 0.00 100 Q 8.74 5.08 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 101 L 9.11 5.15 0.00 1.73 1.58 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.44 4.82 1.75 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 1.41 0.56 0.83 0.00 0.00 103 I 8.49 4.52 1.85 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 1.30 0.61 0.83 0.00 0.00 104 L 8.14 4.98 0.00 0.66 1.40 0.52 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.77 0.00 1.86 1.54 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 106 C 8.50 5.01 0.00 2.78 2.71 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 0.00 0.00 0.00 0.00 107 K 8.64 4.30 0.00 1.72 1.71 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.40 7.81 108 H 8.65 4.76 0.00 3.12 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.01 4.73 0.00 1.85 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 2.18 2.27 0.00 110 V 8.02 4.10 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 0.73 0.00 0.00 0.92 0.00 0.00 111 L 8.27 4.25 0.00 1.60 1.59 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.46 4.37 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 2.23 2.29 0.00 113 Q 8.60 4.07 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 114 G 8.22 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 0.00 115 K 8.45 4.47 0.00 1.70 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.32 7.81 116 V 8.41 3.67 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 0.76 0.00 0.00 0.93 0.00 0.00 117 V 8.15 4.12 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 0.87 0.00 0.00 0.97 0.00 0.00 118 M 8.46 4.49 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 119 D 7.52 4.98 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 0.00 120 S 7.68 4.66 0.00 3.93 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 0.00 121 E 8.34 4.37 0.00 2.09 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 2.22 2.28 0.00 122 R 8.67 4.82 0.00 1.89 1.94 0.00 3.30 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 123 G 7.38 3.78 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 0.00 0.00 0.00 124 D 8.26 4.48 0.00 2.66 2.71 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 0.00 0.00 0.00 0.00 125 N 8.16 4.38 0.00 2.75 2.77 0.00 0.00 6.85 8.04 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 0.00 126 G 8.60 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 0.00 127 Y 8.46 3.39 0.00 3.17 3.13 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 0.00 128 G 8.15 4.27 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 0.00 129 S 8.22 4.12 0.00 3.99 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 0.00 130 T 8.08 4.35 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 0.00 131 G 7.74 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 0.00 132 V 8.25 3.75 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 -0.08 0.00 0.00 0.85 0.00 0.00 133 F 8.06 4.43 0.00 3.03 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