NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4940 8.2893 118.1940 54.6300 31.3730 173.8206 2 E 5.2391 7.8795 134.3059 56.8337 30.0604 176.3054 3 S 4.4852 8.0481 113.4640 57.3431 64.7635 173.0401 4 S 4.6787 8.0294 114.5212 57.4947 65.1812 172.0287 5 T 4.6544 7.9488 118.7436 63.2205 72.2846 172.5504 6 D 4.7893 8.2504 120.4247 53.7068 44.6320 176.6715 7 G 3.9708 8.2185 110.5931 44.3448 0.0000 170.5780 8 Q 4.3063 8.2169 124.3622 54.5136 30.7870 176.4132 9 V 4.0077 8.0670 130.5747 61.4197 30.3891 173.6804 10 V 3.5483 7.4843 124.2461 61.6307 33.0962 170.5862 11 P 4.7765 0.0000 0.0000 62.8408 28.8612 175.9704 12 Q 4.2843 7.7252 119.8438 57.2322 30.3188 175.7332 13 E 4.2814 7.9512 115.0790 58.6326 30.6124 178.4570 14 V 3.5679 7.8867 118.3150 65.4347 31.5589 176.5265 15 L 4.3240 7.8146 117.6459 55.4367 42.4064 175.1568 16 N 5.2386 7.6710 117.2479 51.3106 41.3189 173.4109 17 L 4.0965 8.5490 116.7469 55.8972 41.1460 176.8101 18 P 4.6682 0.0000 0.0000 62.5652 27.4266 176.7274 19 L 3.9694 7.7969 125.5673 58.6770 42.2197 178.2697 20 E 4.0267 8.3150 118.6718 59.4735 29.4816 178.7327 21 K 4.0708 8.1047 118.9847 59.4723 32.3281 178.0823 22 Y 4.0783 8.1128 120.1600 61.0631 38.7726 177.5588 23 H 4.3815 8.8453 117.0884 58.3873 28.8228 177.8307 24 E 3.9745 8.2605 120.7740 59.4139 29.3218 179.1049 25 E 4.0245 8.4326 118.3351 59.5527 29.6689 179.2271 26 A 4.1958 8.0634 120.7838 55.2092 18.3498 179.2275 27 D 4.2532 8.0974 116.4639 57.7523 41.2994 178.3047 28 D 4.2369 8.2487 119.3059 57.0962 40.7735 178.4898 29 Y 3.9499 8.6129 117.7973 61.1402 37.9975 178.4396 30 L 4.0066 8.1017 119.8433 57.7779 41.6432 179.3217 31 D 4.3373 8.1066 118.7720 57.9081 40.8505 178.7234 32 H 4.2550 8.3213 116.7209 58.4489 28.5674 177.7887 33 L 3.9633 7.8422 122.5971 58.1676 42.0620 179.0892 34 L 4.0935 8.0471 119.6065 58.5060 40.4817 178.7167 35 D 4.7353 8.2932 120.8821 56.8050 41.2196 178.1533 36 S 4.1050 8.2013 113.6875 61.4048 62.3551 176.1195 37 L 4.0605 7.9987 121.7684 57.7560 41.2697 179.3609 38 E 3.9785 8.3965 118.6885 59.5390 29.3657 179.2911 39 E 4.0650 8.1861 118.3324 59.1750 29.4974 179.3112 40 L 4.1867 8.1376 119.2561 57.4705 41.5329 179.0065 41 S 4.3008 8.3552 112.3306 60.1589 62.4538 174.9305 42 E 4.2716 8.0007 120.7409 58.0441 29.8752 177.3487 43 A 4.3362 8.2070 120.7607 54.0947 20.0879 177.2436 44 H 4.7707 7.6972 107.1086 54.5966 30.9196 171.9355 45 P 4.3347 0.0000 0.0000 63.6075 31.2203 178.4769 46 D 5.3750 8.1400 127.0193 55.1335 42.0464 176.7034 47 C 4.5936 7.4520 113.1219 59.0348 31.7393 173.8744 48 I 4.4869 6.8948 114.5273 60.1832 37.8591 170.6025 49 P 4.6850 0.0000 0.0000 63.0744 33.3783 177.4766 50 D 4.6022 8.9665 119.6892 52.9907 44.9928 174.8141 51 V 4.6107 8.5553 124.5402 61.4937 32.5478 174.2545 52 E 4.7352 9.3157 130.0038 54.2025 32.3284 174.2103 53 L 5.0557 8.5084 127.5518 53.5452 44.4064 175.5533 54 S 4.7516 9.0811 121.9740 56.3846 65.8998 173.1053 55 H 4.3928 8.4726 119.2038 57.7042 26.9565 175.3191 56 G 3.9298 9.8245 111.8862 45.0882 0.0000 170.5968 57 V 4.7154 8.1636 118.5446 61.3394 35.6460 173.5728 58 M 5.1537 8.9988 127.0175 53.7958 33.9849 173.4994 59 T 4.4685 8.9023 116.5320 60.9503 71.0655 173.9550 60 L 5.0332 9.4220 127.0031 53.3578 44.6156 173.9134 61 E 4.4164 9.5524 128.1199 55.6653 31.3257 175.3115 62 I 4.5178 8.9069 127.5075 57.8593 39.9167 174.3033 63 P 4.8285 0.0000 0.0000 60.8855 29.3000 174.4080 64 A 4.5311 6.7628 125.3805 52.9525 25.3338 177.4472 65 F 5.0036 7.9162 107.3542 55.8587 40.6725 175.0086 66 G 4.1979 6.2566 109.6339 45.7131 0.0000 173.2030 67 T 4.9274 7.9611 120.4832 62.0977 72.4137 172.6879 68 Y 5.0312 9.3687 125.2720 56.9877 39.9423 175.1221 69 V 5.0489 9.1398 122.7847 61.5028 35.9706 174.5349 70 I 5.1283 8.8751 127.2934 60.1919 40.8769 173.7555 71 N 5.5532 9.5425 125.1054 50.1510 41.0338 174.3380 72 K 5.5236 8.5021 117.2877 55.4261 31.7695 176.1373 73 Q 4.6189 7.8877 115.4208 55.8686 29.9962 172.9334 74 P 4.3080 0.0000 0.0000 61.2641 32.2980 174.7635 75 P 4.5709 0.0000 0.0000 63.6752 31.7168 175.9253 76 N 4.7846 7.7650 115.1299 53.3412 40.5271 174.9038 77 K 4.4104 8.4975 121.0227 56.2979 34.2784 172.9536 78 Q 5.0349 7.8829 123.1472 55.2488 33.9953 172.8405 79 I 4.7382 8.9492 121.8452 59.5159 39.5333 175.2532 80 W 4.8652 9.7414 129.1483 55.9637 30.4271 175.6262 81 L 5.0395 8.9720 128.7451 53.2681 42.6393 174.9470 82 A 4.5418 9.3978 130.3016 51.3003 19.2900 177.1312 83 S 4.5466 8.6142 118.2041 57.8331 64.6452 173.3565 84 P 4.8690 0.0000 0.0000 63.5724 31.2336 176.6376 85 L 4.2612 8.6994 120.2640 55.5344 44.2508 177.1014 86 S 5.9482 6.9943 127.1560 59.0676 64.4259 179.1309 87 G 4.0832 7.8841 108.8151 43.6442 0.0000 169.4734 88 P 4.8285 0.0000 0.0000 62.4395 32.4912 175.4420 89 N 4.4384 8.8790 123.3182 51.6484 40.5126 174.1069 90 R 4.5996 8.0016 124.2984 55.9448 29.3130 175.1333 91 F 4.6518 9.6027 125.7878 56.8512 41.0649 174.2883 92 D 5.4782 9.0190 123.3677 52.3755 43.3452 175.4160 93 L 3.5855 8.6751 125.7068 55.4665 41.4260 176.3293 94 L 4.3442 8.7646 124.7095 53.4846 43.0415 175.9050 95 N 4.0382 9.6119 125.8305 54.1680 36.2135 175.4282 96 G 3.8852 9.1597 103.8230 44.3497 0.0000 173.6444 97 E 4.4527 8.4865 119.3832 54.1491 33.8189 174.8242 98 W 4.9804 8.6036 125.7172 56.5027 30.0980 175.8762 99 V 5.2522 9.5110 118.5301 59.8877 35.5642 175.0345 100 S 4.7305 9.5915 118.3034 56.7737 65.1072 172.5270 101 L 3.5647 7.9640 121.8762 58.2539 39.0235 174.6410 102 R 3.5405 8.6617 110.5048 57.5065 28.9112 175.8323 103 N 4.2955 9.0885 114.9697 54.4201 34.8976 173.6396 104 G 4.2798 8.0771 107.8176 46.3083 0.0000 170.5103 105 T 4.7908 8.2730 111.0775 58.6705 71.7028 172.9803 106 K 5.1331 8.1927 121.3894 55.5976 36.5689 175.3568 107 L 2.7493 7.5330 120.7004 57.0523 41.6354 178.6454 108 T 3.8723 7.7470 114.2809 65.1728 67.5154 175.7303 109 D 4.2595 7.7493 119.4138 57.5175 41.4630 178.0570 110 I 3.8957 7.9057 120.4168 63.9685 37.1392 178.2001 111 L 3.8283 8.3286 121.9294 58.2047 41.9098 179.1298 112 T 3.8626 7.8407 115.8090 66.5719 68.4390 176.8187 113 E 3.9941 8.2338 120.6087 59.0333 29.4988 179.0117 114 E 3.9303 8.3439 119.4914 59.4733 29.8200 179.1586 115 V 3.6394 7.8189 118.2351 65.6124 31.3982 177.6922 116 E 3.8068 8.0435 119.2580 59.2220 29.2072 178.7087 117 K 4.0552 8.1775 116.9826 58.0441 31.9975 178.7915 118 A 4.1224 7.6439 120.7476 54.0453 18.8454 178.7469 119 I 3.7307 7.5818 117.6850 63.0201 37.7667 177.9360 120 S 3.9802 8.1930 113.8152 60.0926 62.0954 175.8822 121 K 3.8388 7.3041 120.1584 58.8682 32.2260 176.8744 122 S 4.4943 7.6799 110.2958 59.7315 63.7660 173.4759 123 Q 4.1276 7.4025 123.7942 56.3012 28.6865 175.4316 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 8.29 4.49 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 E 7.88 5.24 0.00 2.19 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 2.03 2.36 0.00 3 S 8.05 4.49 0.00 3.85 3.84 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 4 S 8.03 4.68 0.00 3.81 3.66 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 5 T 7.95 4.65 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 6 D 8.25 4.79 0.00 2.61 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 7 G 8.22 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 0.00 0.00 0.00 8 Q 8.22 4.31 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.49 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 9 V 8.07 4.01 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 0.79 0.00 0.00 0.92 0.00 0.00 10 V 7.48 3.55 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 0.93 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.78 0.00 2.22 2.09 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 12 Q 7.73 4.28 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 13 E 7.95 4.28 0.00 2.41 2.19 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 2.33 2.26 0.00 14 V 7.89 3.57 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 0.91 0.00 0.00 0.94 0.00 0.00 15 L 7.81 4.32 0.00 1.65 1.70 0.95 0.91 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 16 N 7.67 5.24 0.00 2.60 2.69 0.00 0.00 7.14 7.50 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 17 L 8.55 4.10 0.00 1.76 1.68 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.67 0.00 2.33 2.29 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 19 L 7.80 3.97 0.00 1.85 1.84 0.91 0.63 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 20 E 8.32 4.03 0.00 2.08 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 2.43 2.43 0.00 21 K 8.10 4.07 0.00 1.96 1.99 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.60 7.81 22 Y 8.11 4.08 0.00 3.14 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 23 H 8.85 4.38 0.00 3.37 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.26 3.97 0.00 2.24 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 2.40 2.64 0.00 25 E 8.43 4.02 0.00 2.24 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 0.00 2.42 2.39 0.00 26 A 8.06 4.20 1.07 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 0.00 0.00 27 D 8.10 4.25 0.00 2.94 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 28 D 8.25 4.24 0.00 2.71 2.60 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 29 Y 8.61 3.95 0.00 3.31 2.89 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 30 L 8.10 4.01 0.00 1.68 1.70 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.11 4.34 0.00 2.84 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 32 H 8.32 4.25 0.00 3.16 3.28 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 33 L 7.84 3.96 0.00 2.07 1.73 0.90 0.54 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 34 L 8.05 4.09 0.00 2.15 1.92 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.29 4.74 0.00 2.94 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 36 S 8.20 4.11 0.00 4.12 3.84 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 37 L 8.00 4.06 0.00 1.86 1.72 0.95 0.98 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 38 E 8.40 3.98 0.00 2.21 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 2.34 2.41 0.00 39 E 8.19 4.07 0.00 2.15 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 2.44 0.00 40 L 8.14 4.19 0.00 1.89 1.81 0.93 0.64 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 41 S 8.36 4.30 0.00 3.87 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 42 E 8.00 4.27 0.00 2.07 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 2.27 2.31 0.00 43 A 8.21 4.34 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 44 H 7.70 4.77 0.00 3.24 3.26 0.00 5.57 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 45 P 0.00 4.33 0.00 2.21 2.08 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 46 D 8.14 5.37 0.00 2.78 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 47 C 7.45 4.59 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 48 I 6.89 4.49 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 1.38 0.50 0.88 0.00 0.00 49 P 0.00 4.69 0.00 2.10 2.00 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 50 D 8.97 4.60 0.00 2.54 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 51 V 8.56 4.61 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 0.75 0.00 0.00 0.98 0.00 0.00 52 E 9.32 4.74 0.00 2.01 1.75 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 2.20 2.21 0.00 53 L 8.51 5.06 0.00 1.65 1.50 0.90 0.91 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 54 S 9.08 4.75 0.00 3.84 3.71 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 55 H 8.47 4.39 0.00 3.13 3.28 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.82 3.93 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 0.00 0.00 0.00 57 V 8.16 4.72 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 0.90 0.00 0.00 0.97 0.00 0.00 58 M 9.00 5.15 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 59 T 8.90 4.47 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 1.23 0.00 0.00 60 L 9.42 5.03 0.00 1.73 1.88 0.96 0.98 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 61 E 9.55 4.42 0.00 2.02 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 2.24 2.23 0.00 62 I 8.91 4.52 1.37 0.00 0.00 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 1.27 0.86 -0.38 0.00 0.00 63 P 0.00 4.83 0.00 2.10 2.03 0.00 3.63 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 1.92 2.07 0.00 64 A 6.76 4.53 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 65 F 7.92 5.00 0.00 3.19 3.06 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 66 G 6.26 4.20 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 0.00 67 T 7.96 4.93 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 1.26 0.00 0.00 68 Y 9.37 5.03 0.00 2.93 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 69 V 9.14 5.05 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 1.17 0.00 0.00 0.97 0.00 0.00 70 I 8.88 5.13 1.83 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 1.27 0.41 0.83 0.00 0.00 71 N 9.54 5.55 0.00 2.83 2.92 0.00 0.00 6.12 6.64 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 72 K 8.50 5.52 0.00 1.51 1.46 0.00 1.28 0.00 0.00 1.52 0.00 0.00 2.14 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.10 1.13 7.81 73 Q 7.89 4.62 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.06 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 74 P 0.00 4.31 0.00 2.20 1.96 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 75 P 0.00 4.57 0.00 2.17 2.14 0.00 3.58 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 76 N 7.76 4.78 0.00 2.58 2.58 0.00 0.00 6.98 6.77 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 77 K 8.50 4.41 0.00 1.79 1.75 0.00 2.12 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.74 7.81 78 Q 7.88 5.03 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.74 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 79 I 8.95 4.74 1.51 0.00 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.21 0.80 0.00 0.00 80 W 9.74 4.87 0.00 3.47 3.20 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 81 L 8.97 5.04 0.00 1.88 1.81 1.17 1.24 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 82 A 9.40 4.54 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 83 S 8.61 4.55 0.00 3.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.87 0.00 2.22 1.77 0.00 3.51 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.51 0.00 85 L 8.70 4.26 0.00 1.46 1.60 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 86 S 6.99 5.95 0.00 3.99 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 G 7.88 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 88 P 0.00 4.83 0.00 0.85 2.12 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.82 0.00 89 N 8.88 4.44 0.00 2.97 2.88 0.00 0.00 5.63 7.61 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 90 R 8.00 4.60 0.00 1.97 2.09 0.00 2.55 0.00 0.00 2.82 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.55 0.00 91 F 9.60 4.65 0.00 3.16 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 92 D 9.02 5.48 0.00 2.83 2.60 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 93 L 8.68 3.59 0.00 0.64 0.59 0.96 0.42 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 94 L 8.76 4.34 0.00 1.63 1.59 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.61 4.04 0.00 2.78 2.86 0.00 0.00 7.41 7.63 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 96 G 9.16 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 97 E 8.49 4.45 0.00 1.91 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 2.27 2.44 0.00 98 W 8.60 4.98 0.00 3.03 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 99 V 9.51 5.25 2.32 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 0.76 0.00 0.00 1.00 0.00 0.00 100 S 9.59 4.73 0.00 2.72 3.12 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 0.00 101 L 7.96 3.56 0.00 1.77 1.78 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.66 3.54 0.00 2.03 2.06 0.00 3.13 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 103 N 9.09 4.30 0.00 2.94 3.03 0.00 0.00 6.94 7.67 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 0.00 104 G 8.08 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 0.00 0.00 0.00 0.00 105 T 8.27 4.79 4.44 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 1.27 0.00 0.00 106 K 8.19 5.13 0.00 1.91 1.95 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.51 7.81 107 L 7.53 2.75 0.00 0.32 1.04 0.74 0.89 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 0.00 108 T 7.75 3.87 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 1.22 0.00 0.00 109 D 7.75 4.26 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.91 3.90 2.20 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 1.54 0.86 1.05 0.00 0.00 111 L 8.33 3.83 0.00 1.66 1.47 -0.05 0.69 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 0.00 112 T 7.84 3.86 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 0.00 113 E 8.23 3.99 0.00 2.20 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 2.37 2.35 0.00 114 E 8.34 3.93 0.00 2.29 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 2.57 2.58 0.00 115 V 7.82 3.64 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 0.90 0.00 0.00 0.61 0.00 0.00 116 E 8.04 3.81 0.00 2.27 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 2.27 2.35 0.00 117 K 8.18 4.06 0.00 1.96 1.81 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 118 A 7.64 4.12 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 0.00 119 I 7.58 3.73 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 0.77 0.00 0.00 120 S 8.19 3.98 0.00 3.86 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 0.00 121 K 7.30 3.84 0.00 1.84 1.89 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.44 7.81 122 S 7.68 4.49 0.00 3.81 3.84 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 0.00 123 Q 7.40 4.13 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.33 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00