NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4514 0.0000 0.0000 62.4942 32.6774 175.0538 3 K 4.7144 8.2449 116.8395 54.1798 35.8745 174.5419 4 K 4.9056 8.9929 123.6105 54.9401 35.5765 175.2066 5 T 4.8748 8.9912 114.0795 60.2730 71.6480 173.3745 6 I 5.0082 8.2215 115.5248 59.3837 41.9965 173.1940 7 Y 4.9579 8.6661 123.3653 55.9043 40.5704 174.7384 8 F 4.7767 8.7802 131.3503 57.5706 38.2461 172.9181 9 G 4.1225 8.9919 109.8575 45.2775 0.0000 169.9323 10 A 4.6919 8.2572 125.6203 50.6702 21.8859 176.3772 11 G 3.5061 8.9375 112.4183 45.3137 0.0000 172.8722 12 W 4.8744 5.9564 115.8310 55.9990 28.6917 175.8633 13 F 4.7005 7.4943 115.6154 58.8300 38.8493 175.6844 14 T 4.7030 7.2284 111.1105 59.3251 72.9752 174.3304 15 D 4.3646 8.6285 121.1648 57.6478 40.7897 179.3792 16 R 3.9163 7.9220 117.8533 59.3387 30.2352 178.6806 17 Q 4.0552 7.8831 117.3272 59.4785 28.8388 179.2558 18 N 4.6457 8.5965 117.3809 55.8970 38.3999 177.5881 19 K 3.9859 8.0798 121.1557 59.4038 32.3686 178.7030 20 A 4.1901 8.3493 121.3655 55.3303 18.3171 178.6009 21 Y 4.2127 8.6779 118.4127 61.1089 38.8345 178.7252 22 K 4.0888 8.4562 118.8715 59.6290 32.2515 178.8186 23 E 3.9847 8.4543 118.6469 59.7575 29.5114 179.4844 24 A 4.0824 8.5741 120.7157 55.4998 18.3336 179.1935 25 M 3.6949 8.0813 116.6457 58.7556 31.9757 178.1322 26 E 3.9040 8.1105 118.2404 59.1204 30.0819 178.2270 27 A 4.1808 8.0816 120.8997 55.2906 18.5827 179.6496 28 L 4.0570 8.0808 117.4437 57.8581 41.4583 179.8672 29 K 4.0584 7.7442 117.4782 58.7678 31.9946 178.3799 30 E 4.5327 7.6706 117.0771 56.2753 30.1480 175.7264 31 N 4.6801 7.7568 118.1736 52.5541 38.6910 173.6838 32 P 4.3218 0.0000 0.0000 65.3480 31.7190 177.4159 33 T 4.4829 8.7144 107.4505 61.1829 69.0490 173.7574 34 I 4.7578 7.7664 123.2280 59.9053 39.2929 175.3931 35 D 4.6146 8.7089 126.4289 52.6745 39.9833 175.4197 36 L 4.0503 8.0501 128.1362 57.1277 42.6468 178.6370 37 E 3.9679 8.2779 118.3213 58.3889 29.6372 176.5582 38 N 5.0035 7.7616 113.3010 52.9917 39.6713 175.1407 39 S 4.5265 8.0092 115.8163 58.3606 64.4809 172.7867 40 Y 4.4565 8.7182 122.6900 56.0371 40.6645 174.4135 41 V 4.1600 7.4778 126.6828 60.7218 33.5500 173.7670 42 P 4.1749 0.0000 0.0000 66.0985 31.4442 178.5350 43 L 3.6898 7.5531 116.8543 57.0289 41.5941 177.7924 44 D 4.7360 7.7220 116.9533 54.0980 40.8879 176.4128 45 N 4.9874 8.4061 115.1454 52.9932 40.7105 174.7832 46 Q 4.1480 7.9831 117.5208 55.5640 29.7312 175.3022 47 Y 4.3877 8.1198 122.2729 59.2903 39.1480 176.9433 48 K 3.3810 8.9276 123.3328 56.5204 30.0413 175.6743 49 G 3.8512 8.1733 105.9420 46.1528 0.0000 173.4897 50 I 4.3801 7.7269 112.8207 58.4561 39.5569 175.7961 51 R 4.4878 8.3511 124.0244 55.4460 31.9377 178.1443 52 V 3.5381 8.3782 116.5356 63.7601 31.6998 178.0536 53 D 4.5420 8.0962 118.0987 55.9470 39.6536 177.6941 54 E 4.3023 8.0911 118.3220 57.4267 31.3497 176.4128 55 H 4.9426 7.8896 115.8288 52.6167 29.6663 172.0142 56 P 4.4283 0.0000 0.0000 64.8139 31.4480 178.6665 57 E 4.1126 8.1996 115.6821 58.0813 29.7658 176.6697 58 Y 4.3415 7.8999 117.3020 57.7010 38.5215 177.3052 59 L 3.9513 7.7807 121.1946 57.5312 41.7796 177.8368 60 H 4.7662 8.0630 112.4540 55.3123 29.5207 174.2250 61 D 4.6259 8.0114 120.9016 53.4752 40.7645 176.5404 62 K 4.0412 8.6682 127.9322 59.4059 32.0682 179.3098 63 V 3.5323 7.9657 118.1342 65.5275 31.5361 177.7046 64 W 4.0120 8.8047 127.9131 60.4035 30.5689 177.6542 65 A 3.9745 8.4771 120.6524 55.5388 17.7767 179.5435 66 T 3.7639 8.0799 114.0225 66.7888 68.5599 176.6310 67 A 3.7816 7.7255 122.3604 55.4484 18.3500 179.7489 68 T 3.6362 7.4528 114.2773 66.7450 68.3954 176.2249 69 Y 4.0029 8.0843 121.5309 60.9301 39.0096 177.9510 70 N 4.1527 8.4205 117.6009 56.1177 38.5697 177.0090 71 N 4.3046 8.5443 119.0626 56.6070 39.0583 176.7805 72 D 4.3296 8.0363 120.3093 57.4340 40.9415 178.7013 73 L 3.4080 7.3383 119.3695 57.6067 41.4533 179.1906 74 N 4.3424 7.8780 116.6903 56.3474 38.5925 177.3045 75 G 2.9687 7.2407 106.6567 47.3274 0.0000 175.6436 76 I 3.7087 7.4072 122.4168 64.0361 36.9666 178.7842 77 K 4.0178 8.0928 118.4670 59.6030 32.4988 178.2304 78 T 4.3178 7.7644 108.2433 61.1101 69.4497 174.0155 79 N 5.0718 6.9570 118.3315 51.6273 41.3906 174.7778 80 D 4.5650 8.5122 119.5911 57.3680 41.2135 176.9463 81 I 4.6738 7.9349 119.0803 59.6115 40.6193 174.2381 82 M 4.7768 9.0115 126.3888 54.4064 33.5372 174.2594 83 L 5.0094 8.8061 129.2975 53.4317 44.7693 175.4281 84 G 4.2923 8.9690 112.7868 44.2546 0.0000 171.8242 85 V 4.2972 8.7647 128.4101 62.3895 31.8077 174.6242 86 Y 4.5979 9.3022 130.0401 55.7776 41.6886 174.6987 87 I 4.3719 7.5986 125.9458 58.8314 39.0795 174.0064 88 P 4.4490 0.0000 0.0000 65.3343 31.2307 177.4975 89 D 4.9465 7.8284 114.6070 52.7077 40.2117 177.1631 90 E 4.7083 7.9159 115.1727 56.2300 31.6108 175.8847 91 E 3.7801 7.7822 118.4436 55.7012 30.8450 177.1973 92 D 4.5479 8.3801 123.9031 53.4628 42.4558 177.3071 93 V 3.8048 8.4458 127.8204 64.6829 31.6103 178.5853 94 G 3.6218 8.2222 106.1382 47.6376 0.0000 175.3053 95 L 4.4307 7.4516 123.9165 57.0938 42.2616 178.8979 96 G 3.7552 8.0257 105.8767 48.1517 0.0000 175.1073 97 M 4.0804 8.0360 121.0593 58.4989 32.3512 178.2050 98 E 4.0226 8.2025 118.1612 59.0757 29.4533 179.5488 99 L 4.1880 7.9977 119.5753 57.7957 41.7599 179.6303 100 G 3.6224 7.9714 105.2214 47.8363 0.0000 175.1945 101 Y 3.9688 8.2847 121.6159 60.4966 38.8948 177.6727 102 A 3.8733 8.1891 121.7796 54.9271 18.4714 179.3568 103 L 3.8510 8.0820 119.2643 58.3351 41.9837 179.4496 104 S 4.1442 7.7007 112.8718 60.8121 62.8266 175.3349 105 Q 4.3200 7.3486 120.0925 54.7305 28.6167 175.6512 106 G 3.9008 7.5307 106.6132 46.5402 0.0000 174.3788 107 K 4.5235 7.6807 117.9401 54.9163 34.0943 175.9621 108 Y 4.3453 8.5372 123.8654 57.3296 40.1324 174.0882 109 V 4.4117 8.3325 127.6896 61.4684 33.3337 174.1978 110 L 4.8280 8.8257 130.3604 53.2631 44.7051 174.9678 111 L 4.9450 8.3298 126.7225 53.4912 44.0768 175.8775 112 V 4.7875 8.7235 122.5059 61.2684 34.3569 174.1175 113 I 5.2070 8.7222 128.8267 57.8237 40.2123 173.7791 114 P 4.5953 0.0000 0.0000 62.9476 31.9865 176.6254 115 D 4.5259 9.1530 123.6513 57.8118 40.8313 178.8857 116 E 4.1788 8.2776 115.6517 59.9212 29.7177 178.4575 117 D 4.5996 8.1860 118.3758 54.7202 41.1693 175.7710 118 Y 4.3094 7.4349 121.2213 59.1158 39.1506 175.4618 119 G 3.9355 8.5057 115.4308 45.4979 0.0000 174.4462 120 K 4.3981 7.6574 118.4350 55.4384 32.7299 175.6607 121 P 4.8778 0.0000 0.0000 63.1014 32.1783 175.3786 122 I 4.8818 8.6068 115.0822 58.5684 41.4033 174.3986 123 N 3.1400 8.8655 121.5522 53.3340 39.6449 175.2396 124 L 3.8482 8.3010 126.6078 58.9777 42.0383 179.4608 125 M 4.1823 8.3923 118.2120 58.4530 31.6223 179.0521 126 S 4.1049 8.1189 115.0383 61.2719 62.8905 176.2981 127 W 4.0926 8.1830 130.2479 60.0437 30.4178 178.2191 128 G 3.7423 8.1103 105.2699 48.0398 0.0000 176.0859 129 V 3.7071 7.5542 114.5007 62.7147 31.9465 177.5741 130 S 4.0516 6.9556 114.1280 58.9647 63.2638 173.9342 131 D 4.6295 8.3894 123.4582 56.1348 42.2092 175.6985 132 N 4.6979 7.0209 113.9232 53.6852 42.4163 173.5758 133 V 5.0063 8.2281 115.4705 59.7613 35.5995 174.5822 134 I 4.8190 8.8356 117.7706 58.7769 41.7574 175.0781 135 K 4.6423 8.7802 122.1687 55.9247 32.7360 178.3470 136 M 4.0828 8.6386 120.9171 58.8111 32.1762 178.1573 137 S 4.4759 8.0058 110.5377 59.4791 63.5578 174.4615 138 Q 4.4082 7.9703 120.3754 56.7804 28.9966 177.3821 139 L 3.9992 7.7366 120.1862 57.9022 42.1831 179.0058 140 K 4.4902 8.1932 118.3763 58.5504 32.2466 176.5977 141 D 4.8697 8.0380 115.8014 53.4377 42.8103 176.0024 142 F 3.5474 7.4361 121.3360 58.6062 39.5127 174.3782 143 N 4.4484 7.7287 126.3585 52.7090 37.8812 175.1070 144 F 4.6500 8.5659 124.6164 59.0890 39.3473 176.9034 145 N 4.5702 8.3637 117.7256 54.7035 39.2119 175.3612 146 K 4.5507 7.0985 115.2122 54.2752 32.4097 175.2600 147 P 3.9915 0.0000 0.0000 62.8515 31.8092 176.6443 148 R 4.7392 8.3389 121.6382 54.0609 33.0473 174.9768 149 F 4.9135 8.3845 121.4797 57.9731 40.5848 174.1101 150 D 4.0635 6.7465 120.2030 53.3507 45.0367 175.1062 151 F 4.3988 8.4669 122.1666 56.9056 40.2536 174.8007 152 Y 4.6135 8.6085 122.1189 57.2894 39.5576 175.6112 153 E 3.9955 8.7078 126.2863 59.2861 29.9490 178.0647 154 G 3.1704 5.3800 105.4276 44.9588 0.0000 170.9099 155 A 4.6596 8.1135 121.0090 50.5238 22.1612 176.2472 156 V 5.5440 8.2859 109.2212 58.8751 35.6935 176.0355 157 Y 4.4629 7.7554 118.8007 57.3153 37.7088 175.4437 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 2 P 0.00 4.45 0.00 2.28 2.14 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 3 K 8.24 4.71 0.00 1.68 1.70 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.48 7.81 4 K 8.99 4.91 0.00 1.58 1.64 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.78 7.81 5 T 8.99 4.87 4.35 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 1.21 0.00 0.00 6 I 8.22 5.01 1.88 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 1.06 0.97 0.61 0.00 0.00 7 Y 8.67 4.96 0.00 3.20 2.92 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 8 F 8.78 4.78 0.00 2.84 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 9 G 8.99 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 0.00 0.00 0.00 0.00 10 A 8.26 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.94 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 12 W 5.96 4.87 0.00 2.96 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 13 F 7.49 4.70 0.00 2.96 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 14 T 7.23 4.70 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 1.28 0.00 0.00 15 D 8.63 4.36 0.00 2.73 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 16 R 7.92 3.92 0.00 2.03 2.01 0.00 3.17 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 17 Q 7.88 4.06 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 18 N 8.60 4.65 0.00 3.00 2.86 0.00 0.00 6.74 6.97 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 19 K 8.08 3.99 0.00 2.01 2.04 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.50 7.81 20 A 8.35 4.19 1.47 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 21 Y 8.68 4.21 0.00 3.31 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 22 K 8.46 4.09 0.00 2.28 1.92 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.60 7.81 23 E 8.45 3.98 0.00 2.25 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 0.00 2.39 2.72 0.00 24 A 8.57 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.08 3.69 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 26 E 8.11 3.90 0.00 2.01 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 0.00 2.34 2.51 0.00 27 A 8.08 4.18 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 28 L 8.08 4.06 0.00 1.84 1.70 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.74 4.06 0.00 1.81 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.55 7.81 30 E 7.67 4.53 0.00 2.11 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 2.31 2.57 0.00 31 N 7.76 4.68 0.00 3.05 2.95 0.00 0.00 7.01 7.05 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 32 P 0.00 4.32 0.00 2.11 2.13 0.00 3.78 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 2.05 2.11 0.00 33 T 8.71 4.48 4.39 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 1.27 0.00 0.00 34 I 7.77 4.76 2.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.81 0.00 0.00 35 D 8.71 4.61 0.00 2.57 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 36 L 8.05 4.05 0.00 1.70 1.57 0.77 0.70 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 37 E 8.28 3.97 0.00 1.91 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 2.27 2.38 0.00 38 N 7.76 5.00 0.00 2.77 2.79 0.00 0.00 7.04 7.31 0.00 0.00 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 S 8.01 4.53 0.00 3.83 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 40 Y 8.72 4.46 0.00 3.08 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 41 V 7.48 4.16 1.81 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 0.78 0.00 0.00 0.65 0.00 0.00 42 P 0.00 4.17 0.00 2.39 2.40 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 43 L 7.55 3.69 0.00 1.28 1.37 -0.19 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.72 4.74 0.00 2.55 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 45 N 8.41 4.99 0.00 2.26 3.05 0.00 0.00 6.92 8.02 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 46 Q 7.98 4.15 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 47 Y 8.12 4.39 0.00 2.60 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 48 K 8.93 3.38 0.00 1.71 1.70 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.98 0.21 7.81 49 G 8.17 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 50 I 7.73 4.38 1.53 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.39 0.70 0.00 0.00 51 R 8.35 4.49 0.00 1.89 2.17 0.00 2.97 0.00 0.00 3.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 52 V 8.38 3.54 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 -0.48 0.00 0.00 1.02 0.00 0.00 53 D 8.10 4.54 0.00 2.88 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 54 E 8.09 4.30 0.00 2.10 1.92 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 2.25 2.37 0.00 55 H 7.89 4.94 0.00 3.21 3.65 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.43 0.00 2.21 2.33 0.00 3.79 0.00 0.00 3.95 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 57 E 8.20 4.11 0.00 1.96 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 2.05 2.02 0.00 58 Y 7.90 4.34 0.00 2.70 2.33 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 59 L 7.78 3.95 0.00 1.72 1.66 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.06 4.77 0.00 3.05 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.01 4.63 0.00 2.77 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 62 K 8.67 4.04 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.55 7.81 63 V 7.97 3.53 2.34 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 1.04 0.00 0.00 0.97 0.00 0.00 64 W 8.80 4.01 0.00 3.89 3.63 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 65 A 8.48 3.97 1.54 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 66 T 8.08 3.76 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 1.23 0.00 0.00 67 A 7.73 3.78 0.68 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 0.00 0.00 68 T 7.45 3.64 3.53 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 0.99 0.00 0.00 69 Y 8.08 4.00 0.00 3.04 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 70 N 8.42 4.15 0.00 2.87 2.79 0.00 0.00 6.73 7.77 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 71 N 8.54 4.30 0.00 2.95 3.01 0.00 0.00 7.16 8.29 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 72 D 8.04 4.33 0.00 2.79 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 73 L 7.34 3.41 0.00 1.26 1.17 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.88 4.34 0.00 2.75 2.94 0.00 0.00 7.07 7.29 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 75 G 7.24 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 0.00 0.00 0.00 76 I 7.41 3.71 2.01 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 0.17 0.10 0.84 0.00 0.00 77 K 8.09 4.02 0.00 1.89 2.00 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.48 7.81 78 T 7.76 4.32 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 79 N 6.96 5.07 0.00 2.95 2.83 0.00 0.00 6.96 7.94 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 80 D 8.51 4.57 0.00 2.80 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 81 I 7.93 4.67 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.32 1.35 0.00 0.00 82 M 9.01 4.78 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 83 L 8.81 5.01 0.00 1.88 1.64 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.97 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 0.00 0.00 0.00 0.00 85 V 8.76 4.30 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 0.76 0.00 0.00 0.62 0.00 0.00 86 Y 9.30 4.60 0.00 3.02 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 87 I 7.60 4.37 1.98 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 1.39 0.84 0.92 0.00 0.00 88 P 0.00 4.45 0.00 2.14 2.48 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 89 D 7.83 4.95 0.00 2.74 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 90 E 7.92 4.71 0.00 1.90 1.87 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 2.25 2.26 0.00 91 E 7.78 3.78 0.00 1.96 1.81 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 1.77 2.42 0.00 92 D 8.38 4.55 0.00 2.73 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 93 V 8.45 3.80 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 0.71 0.00 0.00 0.94 0.00 0.00 94 G 8.22 3.62 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 95 L 7.45 4.43 0.00 1.82 1.88 1.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.03 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 97 M 8.04 4.08 0.00 2.26 2.13 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 2.68 2.80 0.00 98 E 8.20 4.02 0.00 2.27 1.92 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 2.28 2.64 0.00 99 L 8.00 4.19 0.00 1.89 1.71 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.97 3.62 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 0.00 101 Y 8.28 3.97 0.00 2.97 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 0.00 102 A 8.19 3.87 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 0.00 103 L 8.08 3.85 0.00 1.80 1.87 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.70 4.14 0.00 3.95 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 0.00 105 Q 7.35 4.32 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 1.64 2.00 0.00 106 G 7.53 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 0.00 107 K 7.68 4.52 0.00 1.73 1.78 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.48 7.81 108 Y 8.54 4.35 0.00 3.06 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 0.00 109 V 8.33 4.41 1.89 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 0.83 0.00 0.00 0.91 0.00 0.00 110 L 8.83 4.83 0.00 1.81 1.55 0.67 0.33 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 0.00 111 L 8.33 4.94 0.00 1.46 1.38 0.29 0.60 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 V 8.72 4.79 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 1.00 0.00 0.00 0.93 0.00 0.00 113 I 8.72 5.21 2.22 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 1.12 0.00 0.00 114 P 0.00 4.60 0.00 2.43 2.06 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 115 D 9.15 4.53 0.00 2.69 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 0.00 116 E 8.28 4.18 0.00 2.17 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 0.00 2.36 2.42 0.00 117 D 8.19 4.60 0.00 2.98 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 0.00 118 Y 7.43 4.31 0.00 3.06 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 0.00 119 G 8.51 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 0.00 120 K 7.66 4.40 0.00 1.85 1.85 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.66 7.81 121 P 0.00 4.88 0.00 2.28 2.14 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 122 I 8.61 4.88 1.75 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 1.28 0.91 0.82 0.00 0.00 123 N 8.87 3.14 0.00 2.69 2.72 0.00 0.00 7.15 6.82 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 0.00 124 L 8.30 3.85 0.00 1.63 1.57 0.78 0.96 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 0.00 125 M 8.39 4.18 0.00 2.10 2.19 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 2.64 2.83 0.00 126 S 8.12 4.10 0.00 3.95 3.58 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 0.00 127 W 8.18 4.09 0.00 3.18 3.36 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 0.00 128 G 8.11 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 0.00 0.00 0.00 129 V 7.55 3.71 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 0.77 0.00 0.00 0.99 0.00 0.00 130 S 6.96 4.05 0.00 3.53 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 0.00 131 D 8.39 4.63 0.00 1.97 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 0.00 132 N 7.02 4.70 0.00 2.84 2.54 0.00 0.00 7.43 7.71 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 0.00 133 V 8.23 5.01 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 0.59 0.00 0.00 0.95 0.00 0.00 134 I 8.84 4.82 2.01 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.29 0.97 0.00 0.00 135 K 8.78 4.64 0.00 1.67 1.85 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.72 0.43 7.81 136 M 8.64 4.08 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 137 S 8.01 4.48 0.00 4.02 4.09 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 0.00 138 Q 7.97 4.41 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 139 L 7.74 4.00 0.00 1.72 1.87 1.09 0.94 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 0.00 140 K 8.19 4.49 0.00 1.80 1.87 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 141 D 8.04 4.87 0.00 2.68 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 0.00 142 F 7.44 3.55 0.00 2.96 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 0.00 143 N 7.73 4.45 0.00 2.62 2.32 0.00 0.00 7.23 7.71 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 0.00 144 F 8.57 4.65 0.00 3.20 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 0.00 145 N 8.36 4.57 0.00 2.90 2.86 0.00 0.00 6.73 6.90 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 0.00 146 K 7.10 4.55 0.00 1.57 1.60 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.25 7.81 147 P 0.00 3.99 0.00 0.72 1.37 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 148 R 8.34 4.74 0.00 1.81 1.91 0.00 3.37 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 149 F 8.38 4.91 0.00 2.98 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 0.00 150 D 6.75 4.06 0.00 2.61 2.25 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 0.00 151 F 8.47 4.40 0.00 3.04 3.01 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 0.00 152 Y 8.61 4.61 0.00 2.81 3.16 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 0.00 153 E 8.71 4.00 0.00 1.95 1.84 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 2.40 2.34 0.00 154 G 5.38 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 0.00 0.00 0.00 155 A 8.11 4.66 1.20 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 0.00 156 V 8.29 5.54 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 0.10 0.00 0.00 0.60 0.00 0.00 157 Y 7.76 4.46 0.00 2.84 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