NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7146 8.4093 119.2162 53.1470 40.0773 173.9358 4 Q 4.4822 8.6053 124.1536 56.2020 29.6591 174.1651 5 Y 4.6350 9.3085 119.0781 57.9292 40.0459 175.0692 6 Y 5.5524 8.0984 122.2741 54.8259 42.7576 174.2324 7 G 4.3695 7.4299 110.9764 43.6979 0.0000 171.5432 8 T 4.2259 8.0559 119.1029 61.7167 69.0922 174.6065 9 G 4.0173 8.6555 115.0662 45.7595 0.0000 171.9724 10 R 5.2183 7.4981 120.6288 55.6176 33.1035 174.2156 11 R 4.9217 8.9615 132.6219 57.1626 32.5738 173.8029 12 K 3.7810 8.8266 128.4236 57.7988 29.7064 175.3702 13 S 3.8698 8.1936 106.1690 59.3313 61.2249 169.7281 14 S 5.6892 7.6858 113.4240 55.6422 65.6773 173.0624 15 A 5.1717 8.5863 123.6577 50.4914 22.2753 176.1097 16 A 5.3790 8.1878 121.6797 50.6503 21.6315 175.2426 17 R 4.7714 8.6775 120.8361 56.1035 31.7518 176.1768 18 V 4.7789 8.2705 124.2486 61.2878 33.7029 174.0317 19 F 6.1419 9.3641 127.5609 55.1672 41.8511 174.9563 20 I 5.1087 8.4181 121.7528 59.6698 41.6819 173.6755 21 K 5.0245 10.1299 127.4063 53.9129 37.3072 173.8867 22 P 4.5033 0.0000 0.0000 63.1380 32.0101 176.3222 23 G 4.0716 7.4387 112.7579 45.7820 0.0000 171.5754 24 N 4.3627 8.3040 120.0734 53.1337 38.6392 176.2388 25 G 4.6198 8.5251 114.4006 44.6037 0.0000 172.4428 26 K 4.9075 7.3570 116.5791 54.8387 36.0782 177.7323 27 I 3.9478 8.2220 122.9428 61.1464 38.4936 175.6327 28 V 4.6155 8.6528 126.4615 61.0149 31.0799 173.3165 29 I 4.8885 8.5675 121.2755 58.6586 38.6514 175.5901 30 N 4.0420 8.9630 130.0443 54.6498 35.2410 175.6975 31 Q 3.4198 7.7309 111.2607 56.7161 29.0169 174.2403 32 R 4.3854 7.2811 118.1057 54.7074 31.8939 176.4190 33 S 5.6559 8.0615 114.8412 56.2734 63.8341 173.8961 34 L 3.9146 8.1753 120.5011 58.6136 41.7053 177.7523 35 E 4.4029 7.8992 116.4010 56.2410 30.2276 177.1088 36 Q 4.2217 7.5521 118.3920 59.2538 28.8000 177.8578 37 Y 4.8410 7.9599 109.0230 57.1417 41.6966 174.9036 38 F 4.9887 7.3653 118.5656 57.1553 39.7634 176.3257 39 G 3.6590 7.7835 110.6607 45.5808 0.0000 169.9769 40 R 3.9111 8.4609 128.3084 55.7594 27.9116 176.7182 41 E 4.4394 8.5674 122.5324 56.9202 29.6068 178.0164 42 T 4.2225 8.8790 124.6702 63.9949 69.2961 173.3076 43 A 4.2620 6.9842 123.5669 52.4825 21.8052 175.4300 44 R 4.3170 7.5386 119.2775 57.2577 33.9431 176.0950 45 M 4.1647 7.7927 117.3574 57.9920 32.2557 178.4678 46 V 3.6201 7.9080 111.5762 64.3993 31.6938 177.6281 47 V 3.8749 7.4186 110.6435 62.7477 32.0349 177.6931 48 R 4.1520 7.7109 118.1438 58.7553 30.6647 177.7903 49 Q 4.1134 10.1337 116.7041 58.5050 28.8472 176.8436 50 P 3.5521 0.0000 0.0000 65.3840 31.5219 176.7105 51 L 4.5105 7.6079 115.0258 54.7416 41.7735 178.1493 52 E 4.2475 8.1397 114.9744 57.4656 28.6396 177.0357 53 L 4.6103 7.6409 119.4916 54.5815 42.0550 176.8003 54 V 4.0458 7.8524 106.6734 60.6880 34.8442 168.3191 55 D 4.3083 8.4287 127.5497 54.0163 40.2658 172.0704 56 M 4.7958 7.5759 126.7981 54.8187 32.8350 176.4755 57 V 4.2065 8.5952 115.5154 63.0712 30.2702 173.4394 58 E 4.8523 7.4886 122.7036 56.7000 32.8611 177.3179 59 K 3.9461 7.7108 121.9908 58.2431 32.5091 175.6726 60 L 4.9690 7.3230 116.5792 54.1150 44.4225 175.6935 61 D 5.5357 9.0200 119.6838 52.9823 41.2084 176.5795 62 L 4.7062 8.1772 113.6521 54.1105 43.3076 173.5425 63 Y 4.6185 8.8683 121.9485 56.3496 39.7677 173.6679 64 I 5.2427 8.6104 127.4221 59.7065 40.9295 175.0159 65 T 5.4323 9.2466 122.3140 62.1242 72.6789 173.3681 66 V 5.5465 8.7882 122.5578 61.4263 34.8179 173.2679 67 K 4.5319 8.7496 123.8314 56.2176 36.0092 172.3391 68 G 4.3304 8.7638 120.4870 45.9838 0.0000 170.6089 69 G 4.5384 7.9589 108.0212 44.5022 0.0000 174.6127 70 G 3.6893 9.3730 108.4802 46.7172 0.0000 176.3842 71 I 2.4414 7.8486 116.1433 60.8285 41.7020 176.4638 72 S 3.9928 8.4900 119.0644 60.9719 63.4241 176.5290 73 G 3.5072 8.9986 109.3061 47.7689 0.0000 175.6888 74 Q 3.9663 7.9125 120.2574 58.5953 28.6213 178.4819 75 A 3.9157 8.6037 122.8389 55.3935 18.3022 179.8029 76 G 3.5547 8.0055 103.5323 47.8706 0.0000 175.6123 77 A 3.9452 7.9840 122.9392 54.9892 18.4836 179.3410 78 I 3.6801 8.6617 119.1715 64.7894 37.2466 178.0543 79 R 3.6877 8.7651 120.0750 59.9938 29.7837 177.5934 80 H 4.1410 8.6145 118.1614 59.3388 29.7281 177.2616 81 G 3.4562 8.7431 107.7527 47.8401 0.0000 175.3110 82 I 3.6255 7.7246 122.1807 64.4652 37.5171 178.0715 83 T 3.9387 7.7041 113.3755 65.0973 67.2766 176.2368 84 R 3.9986 8.4777 119.4376 57.7868 29.7588 177.4778 85 A 5.4498 7.4593 119.9162 50.4837 19.8485 175.7204 86 L 4.7626 7.9124 119.9040 55.3215 42.6130 176.5361 87 M 4.8737 7.9692 110.6942 54.4314 32.4264 175.6272 88 E 4.3195 8.3798 120.6096 59.1700 30.6096 177.6348 89 Y 4.2714 8.6313 118.4828 60.0997 38.8577 175.9214 90 D 4.8503 7.9700 116.5031 52.6357 44.1195 173.9947 91 E 4.4940 8.9839 126.0729 56.2911 29.5774 176.0447 92 S 4.8088 9.0047 111.4932 58.2966 62.5589 174.7732 93 L 4.4812 7.8202 120.9557 56.1758 42.5396 178.8053 94 R 3.7417 7.8731 118.3578 59.2531 30.5096 178.3618 95 S 4.0221 8.3398 111.7023 61.7592 62.2415 176.0384 96 E 4.3347 7.6222 116.8028 57.6460 29.5927 177.7934 97 L 4.6464 8.6204 120.1455 56.0553 43.2278 178.7308 98 R 3.9268 7.9081 117.8382 58.9104 29.8074 178.8020 99 K 3.8262 7.4372 116.1220 60.2129 32.5027 178.8558 100 A 3.8166 7.6930 120.2509 52.2293 18.9019 177.0200 101 G 3.5146 7.7101 104.4066 46.8195 0.0000 174.0670 102 F 5.0335 7.9215 118.4361 59.0677 40.9510 179.1836 103 V 4.0921 7.9348 109.0848 61.9629 30.7654 175.4775 104 T 4.4408 8.0442 117.6186 61.4753 70.4410 173.9673 105 R 3.9190 8.5575 127.6341 55.6080 29.5061 176.2858 106 D 4.5957 8.3164 126.3132 52.9086 37.6418 177.1873 107 A 4.3320 7.8882 135.0000 52.8943 18.2900 179.7727 108 R 4.2064 7.6048 120.1436 56.5026 28.6358 176.3123 109 Q 4.2851 7.6287 122.4731 54.8767 30.6214 175.4717 110 V 3.9060 7.9318 113.3901 60.7527 32.3479 175.4671 111 E 4.4330 8.3852 122.8912 54.2265 30.0247 176.1195 112 R 3.9325 8.4923 123.1467 55.9070 29.9276 176.2949 113 K 4.1130 8.5104 122.5136 56.8154 32.9973 175.6228 114 K 4.6064 8.1115 120.0527 54.0737 35.9749 176.3463 115 V 3.8327 8.3122 122.3532 64.5672 31.1876 175.9252 116 G 4.0741 8.9129 113.1864 44.9734 0.0000 172.8202 117 L 4.7766 7.9171 119.9840 52.8147 43.8022 177.8297 118 R 3.9894 8.4767 121.2683 58.1600 30.3999 177.3353 119 K 4.2975 7.7172 110.4232 56.9015 34.1258 175.0764 120 A 3.9816 8.8939 133.6161 53.7063 18.0744 178.8957 121 R 4.4615 8.8883 110.4215 57.3081 35.8572 174.8294 122 R 3.8186 8.0498 118.4987 56.6689 29.7549 174.7989 123 R 4.5887 8.2375 125.8683 54.3481 31.2278 174.4728 124 P 4.4648 0.0000 0.0000 62.3184 32.0554 176.7758 125 Q 4.5419 8.3187 119.8834 56.5955 29.9132 176.5185 126 F 4.8570 8.1917 111.3684 55.4835 37.5685 174.2445 127 S 3.8939 7.7538 117.1080 59.8171 63.7548 174.4956 128 K 3.8232 8.8462 118.6449 56.3046 31.3511 176.2124 129 R 4.0561 7.2660 121.3863 57.1532 30.3373 175.7757 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 3 N 8.41 4.71 0.00 2.70 2.80 0.00 0.00 7.04 6.19 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 4 Q 8.61 4.48 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 5 Y 9.31 4.64 0.00 2.98 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 6 Y 8.10 5.55 0.00 2.92 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 7 G 7.43 4.37 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 0.00 8 T 8.06 4.23 4.14 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 1.22 0.00 0.00 9 G 8.66 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 0.00 0.00 0.00 10 R 7.50 5.22 0.00 1.80 1.74 0.00 3.21 0.00 0.00 3.83 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.79 0.00 11 R 8.96 4.92 0.00 1.93 1.85 0.00 3.36 0.00 0.00 3.77 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 12 K 8.83 3.78 0.00 1.92 1.88 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.41 7.81 13 S 8.19 3.87 0.00 4.05 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 14 S 7.69 5.69 0.00 4.06 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 15 A 8.59 5.17 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 16 A 8.19 5.38 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 17 R 8.68 4.77 0.00 2.00 2.00 0.00 3.59 0.00 0.00 3.22 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 18 V 8.27 4.78 1.94 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 1.01 0.00 0.00 0.89 0.00 0.00 19 F 9.36 6.14 0.00 2.76 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 20 I 8.42 5.11 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.81 0.00 0.00 21 K 10.13 5.02 0.00 1.70 1.67 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 P 0.00 4.50 0.00 2.19 2.08 0.00 3.91 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 2.03 2.03 0.00 23 G 7.44 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 0.00 0.00 0.00 24 N 8.30 4.36 0.00 2.89 2.98 0.00 0.00 5.80 7.30 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 25 G 8.53 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.36 4.91 0.00 1.74 1.78 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.43 7.81 27 I 8.22 3.95 1.97 0.00 0.00 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 1.25 0.94 1.05 0.00 0.00 28 V 8.65 4.62 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 0.69 0.00 0.00 0.87 0.00 0.00 29 I 8.57 4.89 2.03 0.00 0.00 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 1.51 1.58 1.20 0.00 0.00 30 N 8.96 4.04 0.00 2.93 2.79 0.00 0.00 6.80 7.39 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 31 Q 7.73 3.42 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.82 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 32 R 7.28 4.39 0.00 1.92 1.63 0.00 3.04 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.00 33 S 8.06 5.66 0.00 4.01 4.01 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 0.00 0.00 0.00 34 L 8.18 3.91 0.00 1.77 1.70 0.95 0.89 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 35 E 7.90 4.40 0.00 2.02 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 2.29 2.35 0.00 36 Q 7.55 4.22 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 37 Y 7.96 4.84 0.00 2.86 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 38 F 7.37 4.99 0.00 3.06 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 39 G 7.78 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 0.00 0.00 0.00 40 R 8.46 3.91 0.00 2.02 2.10 0.00 3.16 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 41 E 8.57 4.44 0.00 1.86 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 2.26 2.30 0.00 42 T 8.88 4.22 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 1.20 0.00 0.00 43 A 6.98 4.26 1.19 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 0.00 0.00 0.00 44 R 7.54 4.32 0.00 1.77 1.83 0.00 3.25 0.00 0.00 3.47 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 45 M 7.79 4.16 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 46 V 7.91 3.62 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 0.67 0.00 0.00 0.82 0.00 0.00 47 V 7.42 3.87 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 0.59 0.00 0.00 0.95 0.00 0.00 48 R 7.71 4.15 0.00 1.86 1.96 0.00 3.36 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 49 Q 10.13 4.11 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 50 P 0.00 3.55 0.00 1.89 1.88 0.00 3.60 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 2.03 1.91 0.00 51 L 7.61 4.51 0.00 1.69 1.61 0.84 0.86 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 52 E 8.14 4.25 0.00 2.05 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 2.52 2.41 0.00 53 L 7.64 4.61 0.00 1.61 1.64 0.93 1.25 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 54 V 7.85 4.05 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 0.60 0.00 0.00 0.91 0.00 0.00 55 D 8.43 4.31 0.00 2.78 2.65 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 56 M 7.58 4.80 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 57 V 8.60 4.21 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 58 E 7.49 4.85 0.00 2.16 1.97 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 2.24 2.04 0.00 59 K 7.71 3.95 0.00 1.76 1.92 0.00 1.53 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.36 7.81 60 L 7.32 4.97 0.00 1.82 1.63 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.02 5.54 0.00 2.73 2.81 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 62 L 8.18 4.71 0.00 1.81 1.61 0.94 0.75 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 63 Y 8.87 4.62 0.00 3.31 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 64 I 8.61 5.24 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 1.02 0.00 0.00 65 T 9.25 5.43 4.58 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 1.43 0.00 0.00 66 V 8.79 5.55 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 0.66 0.00 0.00 1.13 0.00 0.00 67 K 8.75 4.53 0.00 1.92 1.68 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.56 7.81 68 G 8.76 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.37 3.69 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 0.00 0.00 0.00 71 I 7.85 2.44 1.79 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 1.45 0.65 1.17 0.00 0.00 72 S 8.49 3.99 0.00 3.84 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 73 G 9.00 3.51 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 0.00 0.00 0.00 74 Q 7.91 3.97 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 75 A 8.60 3.92 1.06 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 76 G 8.01 3.55 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 0.00 0.00 0.00 77 A 7.98 3.95 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 78 I 8.66 3.68 1.98 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 1.45 0.71 0.92 0.00 0.00 79 R 8.77 3.69 0.00 1.76 2.08 0.00 2.86 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.58 0.00 80 H 8.61 4.14 0.00 3.31 3.50 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.74 3.46 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 0.00 82 I 7.72 3.63 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.84 0.00 0.00 83 T 7.70 3.94 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 1.25 0.00 0.00 84 R 8.48 4.00 0.00 1.77 1.74 0.00 3.21 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.43 0.00 85 A 7.46 5.45 1.27 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 86 L 7.91 4.76 0.00 1.70 1.57 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.97 4.87 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 88 E 8.38 4.32 0.00 2.39 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 2.40 2.39 0.00 89 Y 8.63 4.27 0.00 2.97 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 90 D 7.97 4.85 0.00 2.84 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 91 E 8.98 4.49 0.00 1.97 1.94 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 2.27 2.36 0.00 92 S 9.00 4.81 0.00 3.95 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 93 L 7.82 4.48 0.00 1.89 1.76 0.93 0.97 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 94 R 7.87 3.74 0.00 1.85 1.97 0.00 3.33 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 95 S 8.34 4.02 0.00 3.85 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 96 E 7.62 4.33 0.00 2.22 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 2.36 2.44 0.00 97 L 8.62 4.65 0.00 1.83 1.80 0.99 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.91 3.93 0.00 1.83 1.96 0.00 3.14 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 99 K 7.44 3.83 0.00 1.90 1.92 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.41 7.81 100 A 7.69 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.71 3.51 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 0.00 0.00 0.00 102 F 7.92 5.03 0.00 3.12 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 0.00 103 V 7.93 4.09 2.11 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 0.75 0.00 0.00 0.96 0.00 0.00 104 T 8.04 4.44 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 1.21 0.00 0.00 105 R 8.56 3.92 0.00 1.70 1.83 0.00 3.36 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 1.59 1.49 0.00 106 D 8.32 4.60 0.00 2.81 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 0.00 107 A 7.89 4.33 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 0.00 108 R 7.60 4.21 0.00 1.81 1.90 0.00 3.20 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 109 Q 7.63 4.29 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 110 V 7.93 3.91 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 0.72 0.00 0.00 0.93 0.00 0.00 111 E 8.39 4.43 0.00 1.90 1.85 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 2.22 2.34 0.00 112 R 8.49 3.93 0.00 2.03 2.06 0.00 3.03 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 113 K 8.51 4.11 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 114 K 8.11 4.61 0.00 1.78 1.60 0.00 1.86 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.61 7.81 115 V 8.31 3.83 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 0.69 0.00 0.00 0.93 0.00 0.00 116 G 8.91 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 0.00 0.00 0.00 117 L 7.92 4.78 0.00 1.77 1.69 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.48 3.99 0.00 1.83 1.99 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 119 K 7.72 4.30 0.00 1.87 1.89 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.24 7.81 120 A 8.89 3.98 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 0.00 121 R 8.89 4.46 0.00 1.68 1.90 0.00 3.34 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 122 R 8.05 3.82 0.00 1.89 1.86 0.00 3.22 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 123 R 8.24 4.59 0.00 1.78 1.80 0.00 3.30 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 124 P 0.00 4.46 0.00 2.11 1.99 0.00 3.73 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 0.00 125 Q 8.32 4.54 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.45 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 126 F 8.19 4.86 0.00 3.12 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 0.00 127 S 7.75 3.89 0.00 3.91 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 0.00 128 K 8.85 3.82 0.00 1.85 1.94 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.48 7.81 129 R 7.27 4.06 0.00 1.93 1.96 0.00 3.34 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00