NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 M 4.4570 8.1514 118.1947 54.9404 31.7128 175.5864 -3 G 3.0683 8.0913 114.4362 48.3914 0.0000 170.0106 -2 R 3.9050 7.2803 118.4410 59.8985 30.1492 173.7958 -1 G 3.1523 7.7313 116.2334 45.6599 0.0000 174.2323 0 S 4.1098 7.3675 113.2978 56.3322 63.9206 172.9842 1 M 5.1328 8.1024 124.7963 54.6161 35.4018 173.5859 2 I 4.5649 11.0188 127.0801 60.7074 39.1570 174.3451 3 Q 5.0002 9.1972 128.5763 54.2771 31.3277 173.8704 4 A 4.7123 9.4134 129.1311 50.7104 21.4123 174.9726 5 T 4.8672 8.8119 120.2339 62.8374 70.0433 174.1602 6 F 5.0771 10.1713 126.4846 55.9016 41.8666 175.3373 7 I 4.8306 8.4333 123.0157 59.7500 39.6745 174.7679 8 R 4.6852 8.9602 128.7103 55.5392 32.2074 175.7259 9 R 4.3744 8.9321 124.7129 55.4558 33.2526 175.0978 10 K 3.7208 9.2912 128.3669 57.7514 29.1558 176.4516 11 G 3.9647 8.5032 102.7586 45.7617 0.0000 173.1801 12 I 4.5462 7.2542 112.6069 58.3843 40.5555 174.5273 13 L 4.2452 8.4492 123.7228 55.4125 41.5735 176.5199 14 E 4.7797 8.7838 123.4328 56.9537 31.9991 175.6553 15 S 5.3474 7.9447 112.6972 58.1612 66.3642 174.4634 16 V 4.6828 8.4736 118.5517 60.4847 34.9669 172.7879 17 E 4.8122 9.0762 124.3525 54.5681 32.4538 174.1969 18 L 5.7016 8.2706 126.4811 52.8982 45.1508 175.4788 19 T 4.7006 8.3850 114.5222 61.8871 70.9896 173.9881 20 G 4.4678 8.9575 116.2955 44.4872 0.0000 173.3965 21 H 4.7586 7.9489 112.0128 54.8263 28.7949 176.2175 22 A 3.9538 7.8446 124.6185 53.9478 18.4352 178.8856 23 G 3.9206 7.9563 98.4638 45.4650 0.0000 173.3809 24 S 4.6223 9.7177 110.8461 57.4574 63.8804 175.4052 25 G 3.9131 8.8069 107.7318 45.9342 0.0000 173.3185 26 E 4.4581 7.8045 119.6692 55.0191 30.2450 175.5421 27 Y 4.1301 8.7627 125.2063 61.2488 38.5249 178.1787 28 G 3.8819 8.4544 105.3073 48.1424 0.0000 174.8160 29 F 3.0824 7.7597 122.8292 60.5354 39.3910 176.7966 30 D 3.9296 8.2415 118.7662 57.2387 39.9786 178.8001 31 I 3.4017 7.7577 120.7728 64.3146 36.9998 178.4733 32 V 3.6635 7.0756 117.3721 65.6475 31.2500 177.9717 33 C 3.9312 7.4725 116.6384 62.4608 27.7985 175.8108 34 A 3.9065 8.1643 122.5537 54.7200 17.8857 179.6329 35 A 3.8540 7.5604 118.5339 55.3552 18.5500 179.9144 36 V 3.5474 7.6712 116.6984 66.2633 31.4797 178.1767 37 S 4.0740 8.2954 115.0209 61.9982 62.7573 176.5725 38 T 3.8632 8.0044 118.1797 67.0223 68.3080 176.4209 39 L 4.2344 8.0079 120.4430 58.0850 41.6049 179.8696 40 S 3.7545 8.3185 114.9625 61.8167 62.7696 176.4370 41 M 3.9286 8.2751 121.5096 58.4390 31.0857 178.3225 42 N 4.2299 8.6240 117.3412 56.5677 39.0182 176.2987 43 L 3.8609 7.6780 121.5518 58.2947 41.7482 178.9694 44 V 3.3796 7.5270 117.8056 66.0909 31.3033 177.8337 45 N 4.2762 8.7719 116.6125 56.2259 38.5124 177.1654 46 A 3.9444 9.1404 122.4453 55.2058 18.5219 179.3339 47 L 3.8374 7.9895 117.5962 58.3834 41.2114 179.2044 48 E 4.3500 7.7305 119.9055 58.9972 29.3866 179.0111 49 V 3.6490 8.0881 118.5116 65.0289 31.8358 177.2084 50 L 4.6721 8.2488 115.8472 54.3840 42.4584 176.7785 51 A 4.5755 7.5721 119.0948 50.9152 20.7002 175.8189 52 D 4.3707 7.5510 115.2151 56.7852 39.2772 174.2513 53 C 4.6801 7.7175 117.8250 58.0126 33.9010 172.3480 54 T 4.1711 8.1380 123.0034 59.1706 66.0002 173.2234 55 V 3.3913 7.5509 124.7565 61.8080 32.7206 175.5580 56 S 4.5051 8.3977 119.4867 57.1315 63.0927 172.6361 57 L 4.8176 8.4021 130.3891 53.4982 43.3977 174.9287 58 Q 4.6532 8.7023 128.7388 54.9219 30.9580 174.3354 59 M 5.2216 8.2426 124.4673 53.6613 37.0450 173.8565 60 D 4.1736 7.8997 114.0829 54.1947 44.2249 176.0415 61 E 4.2188 9.0716 126.4180 56.3094 30.2093 174.8357 62 F 5.0949 7.0465 113.2905 56.4957 40.6614 174.7547 63 D 4.5757 10.3797 117.8307 55.7279 38.3763 174.7302 64 G 3.9148 8.3077 105.4245 44.6460 0.0000 171.2699 65 G 4.0973 8.6839 114.4264 45.0260 0.0000 172.4944 66 Y 5.2212 8.5188 122.9221 56.2935 42.6751 173.9168 67 M 4.2537 6.4454 119.5460 54.4872 36.7467 173.4336 68 K 4.7861 8.8986 126.5027 54.8494 36.0917 174.5627 69 I 4.6690 8.5658 128.5431 59.5183 39.6375 174.1987 70 D 5.0901 8.6228 126.5160 52.6264 44.2625 175.6372 71 L 4.7229 9.1253 124.5498 54.3510 42.9117 178.2431 72 S 4.0923 8.0351 115.6402 61.6373 62.7313 175.0788 73 Y 4.6951 7.6276 113.6011 57.8139 38.1483 175.5512 74 I 4.2556 7.6926 121.9731 61.0503 38.4442 175.9477 75 T 4.3193 8.4425 117.3735 65.6428 69.1029 176.3249 76 N 4.9531 7.7731 118.1480 52.5825 38.0777 177.1093 77 K 4.0019 8.2053 120.3158 60.2667 32.9716 177.3507 78 S 4.5852 7.8404 111.9960 57.8405 63.8724 174.1872 79 D 4.3857 8.1065 122.4791 54.5914 42.2425 175.8689 80 E 3.9627 8.9851 126.9820 60.0561 29.3977 179.9705 81 K 4.1328 8.0206 116.9436 58.8392 32.1169 179.3923 82 V 3.7929 7.2007 117.6662 65.7243 31.3067 178.0684 83 Q 4.1328 8.2693 117.9837 58.6453 28.6071 178.0106 84 L 4.1785 7.9273 121.4678 58.3722 42.0089 179.2016 85 L 4.0495 7.6328 117.2881 57.7085 41.7085 179.2431 86 F 4.4526 8.2945 120.5900 61.5423 39.3812 176.9542 87 E 3.9142 9.4210 119.1071 59.3228 29.3209 179.0343 88 A 4.0063 8.6214 121.1045 55.4260 18.5636 179.2983 89 F 4.2342 8.6758 119.1718 61.6018 39.3274 177.1520 90 L 3.5236 7.8672 119.5737 57.5876 41.7951 178.5808 91 L 3.9352 7.9449 120.6029 57.9401 42.0181 179.3196 92 G 3.4814 7.9184 105.4915 47.8243 0.0000 175.7414 93 I 3.5999 7.2637 122.4897 64.1895 37.1665 178.5275 94 T 3.7913 8.1557 116.6643 66.9754 68.2212 176.5155 95 N 4.3804 8.5572 118.4370 55.9690 38.3637 177.5999 96 L 3.9435 8.3277 120.7882 57.8698 41.6291 179.4006 97 A 4.1182 8.0433 119.0338 54.6995 18.2858 178.6361 98 E 4.0956 7.7501 116.5640 58.3238 29.8285 177.5278 99 N 4.6861 7.6884 115.4497 53.8778 40.9121 175.7150 100 S 5.1979 7.9351 114.6083 55.3555 62.9400 173.2124 101 P 4.6020 0.0000 0.0000 64.4641 32.0413 177.9027 102 E 4.1006 7.8187 114.8036 57.3857 29.9291 177.4566 103 F 5.4332 8.2815 116.6835 57.1380 42.1227 174.7890 104 V 5.0770 7.8483 117.4742 61.5612 35.4813 174.2037 105 T 4.9017 9.0930 121.9032 61.9936 73.0189 172.6189 106 A 5.3900 8.7315 126.7521 50.0822 21.7621 175.2882 107 K 4.5713 9.4135 122.0468 54.7901 36.0187 174.9666 108 I 4.8640 8.5800 127.8779 60.0708 39.2003 174.7883 109 M 4.5670 10.0269 129.1605 54.1749 33.2393 176.0614 110 T 5.2481 8.5555 114.3183 60.0992 71.2809 174.7992 111 Q 4.3231 8.2424 119.7743 57.1241 27.6612 173.6583 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 -4 M 8.15 4.46 0.00 2.18 2.30 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 2.55 2.48 0.00 -3 G 8.09 3.07 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 -2 R 7.28 3.91 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 -1 G 7.73 3.15 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 0 S 7.37 4.11 0.00 2.72 3.29 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 0.00 0.00 0.00 0.00 1 M 8.10 5.13 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 2 I 11.02 4.56 2.04 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.98 0.00 0.00 3 Q 9.20 5.00 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 4 A 9.41 4.71 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 5 T 8.81 4.87 4.23 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 1.24 0.00 0.00 6 F 10.17 5.08 0.00 3.10 2.88 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 7 I 8.43 4.83 1.90 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 1.14 0.75 0.91 0.00 0.00 8 R 8.96 4.69 0.00 1.79 1.74 0.00 3.04 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 9 R 8.93 4.37 0.00 1.88 1.71 0.00 3.31 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 10 K 9.29 3.72 0.00 1.94 1.85 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 11 G 8.50 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 12 I 7.25 4.55 1.88 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 1.42 0.84 0.96 0.00 0.00 13 L 8.45 4.25 0.00 0.93 0.46 0.36 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.78 4.78 0.00 1.91 1.96 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 2.25 2.22 0.00 15 S 7.94 5.35 0.00 3.96 4.18 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 16 V 8.47 4.68 2.28 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 0.63 0.00 0.00 0.12 0.00 0.00 17 E 9.08 4.81 0.00 1.98 1.77 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 2.25 2.30 0.00 18 L 8.27 5.70 0.00 1.52 1.45 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.39 4.70 4.36 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 1.30 0.00 0.00 20 G 8.96 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.95 4.76 0.00 3.25 3.49 0.00 5.46 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.84 3.95 1.39 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 23 G 7.96 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 24 S 9.72 4.62 0.00 3.92 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 25 G 8.81 3.91 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 0.00 0.00 0.00 26 E 7.80 4.46 0.00 2.25 1.96 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 2.33 2.27 0.00 27 Y 8.76 4.13 0.00 3.09 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 28 G 8.45 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 0.00 0.00 0.00 29 F 7.76 3.08 0.00 2.20 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 30 D 8.24 3.93 0.00 2.86 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 0.00 0.00 0.00 31 I 7.76 3.40 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.35 0.75 0.00 0.00 32 V 7.08 3.66 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 1.09 0.00 0.00 1.11 0.00 0.00 33 C 7.47 3.93 0.00 2.84 2.88 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 34 A 8.16 3.91 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 35 A 7.56 3.85 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 36 V 7.67 3.55 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 1.02 0.00 0.00 0.98 0.00 0.00 37 S 8.30 4.07 0.00 4.00 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 38 T 8.00 3.86 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 39 L 8.01 4.23 0.00 2.08 2.12 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.32 3.75 0.00 4.04 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 41 M 8.28 3.93 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 42 N 8.62 4.23 0.00 2.84 2.84 0.00 0.00 6.86 6.61 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 43 L 7.68 3.86 0.00 1.40 1.29 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.53 3.38 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 0.88 0.00 0.00 0.73 0.00 0.00 45 N 8.77 4.28 0.00 2.76 2.80 0.00 0.00 6.93 5.12 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 46 A 9.14 3.94 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 47 L 7.99 3.84 0.00 1.82 1.80 0.63 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.73 4.35 0.00 1.98 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 2.28 2.15 0.00 49 V 8.09 3.65 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 0.88 0.00 0.00 0.91 0.00 0.00 50 L 8.25 4.67 0.00 1.66 1.66 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.57 4.58 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 52 D 7.55 4.37 0.00 2.77 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 53 C 7.72 4.68 0.00 2.99 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 54 T 8.14 4.17 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 55 V 7.55 3.39 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 0.73 0.00 0.00 0.75 0.00 0.00 56 S 8.40 4.51 0.00 3.97 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 57 L 8.40 4.82 0.00 1.58 1.50 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.70 4.65 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.33 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 59 M 8.24 5.22 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 60 D 7.90 4.17 0.00 2.57 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 61 E 9.07 4.22 0.00 1.94 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 2.30 2.41 0.00 62 F 7.05 5.09 0.00 3.08 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 63 D 10.38 4.58 0.00 3.01 2.90 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 64 G 8.31 3.91 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 0.00 0.00 0.00 65 G 8.68 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 0.00 0.00 0.00 0.00 66 Y 8.52 5.22 0.00 2.77 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 67 M 6.45 4.25 0.00 1.77 1.67 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 2.27 2.19 0.00 68 K 8.90 4.79 0.00 1.63 1.56 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 69 I 8.57 4.67 1.63 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.45 0.54 0.00 0.00 70 D 8.62 5.09 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.13 4.72 0.00 1.93 1.69 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.04 4.09 0.00 3.85 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 73 Y 7.63 4.70 0.00 3.01 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 74 I 7.69 4.26 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 1.33 0.76 0.99 0.00 0.00 75 T 8.44 4.32 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 76 N 7.77 4.95 0.00 2.95 3.03 0.00 0.00 5.97 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 77 K 8.21 4.00 0.00 1.95 2.10 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.45 7.81 78 S 7.84 4.59 0.00 4.00 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 79 D 8.11 4.39 0.00 2.81 2.67 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 80 E 8.99 3.96 0.00 2.02 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 2.42 2.38 0.00 81 K 8.02 4.13 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.44 7.81 82 V 7.20 3.79 2.28 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 1.08 0.00 0.00 1.02 0.00 0.00 83 Q 8.27 4.13 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.53 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 84 L 7.93 4.18 0.00 1.80 1.71 0.94 0.72 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 85 L 7.63 4.05 0.00 1.81 1.72 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.29 4.45 0.00 3.32 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 87 E 9.42 3.91 0.00 2.10 1.96 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 2.38 2.50 0.00 88 A 8.62 4.01 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 89 F 8.68 4.23 0.00 3.24 3.70 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 90 L 7.87 3.52 0.00 1.28 1.61 -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.94 3.94 0.00 1.74 1.77 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.92 3.48 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 93 I 7.26 3.60 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.14 0.98 0.00 0.00 94 T 8.16 3.79 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 1.14 0.00 0.00 95 N 8.56 4.38 0.00 2.77 2.84 0.00 0.00 7.14 6.63 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 L 8.33 3.94 0.00 1.89 1.72 0.94 0.77 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 97 A 8.04 4.12 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 98 E 7.75 4.10 0.00 2.15 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 0.00 2.29 2.32 0.00 99 N 7.69 4.69 0.00 2.69 2.85 0.00 0.00 6.79 8.05 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 0.00 100 S 7.94 5.20 0.00 3.92 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 0.00 101 P 0.00 4.60 0.00 1.98 2.09 0.00 3.64 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 102 E 7.82 4.10 0.00 1.74 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 1.47 1.47 0.00 103 F 8.28 5.43 0.00 3.09 3.26 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 0.00 104 V 7.85 5.08 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 1.07 0.00 0.00 1.04 0.00 0.00 105 T 9.09 4.90 4.29 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 0.00 0.00 0.00 1.29 0.00 0.00 106 A 8.73 5.39 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 0.00 107 K 9.41 4.57 0.00 1.82 1.66 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 108 I 8.58 4.86 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.86 0.00 0.00 109 M 10.03 4.57 0.00 1.99 2.02 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 2.59 2.50 0.00 110 T 8.56 5.25 4.23 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 1.19 0.00 0.00 111 Q 8.24 4.32 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.15 2.47 0.00