NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4586 8.1614 121.7895 55.9416 33.7139 176.1864 3 G 3.6258 8.8157 113.5466 48.0556 0.0000 174.3238 4 T 4.1106 8.8478 118.9530 66.7670 68.9502 174.9644 5 I 3.6749 7.6162 121.5422 64.2141 36.9965 178.6682 6 V 3.5676 7.5908 118.8128 65.7229 31.4768 178.1366 7 G 3.8662 8.2575 105.9787 48.0413 0.0000 175.8073 8 T 2.9336 7.5410 111.7422 63.9982 68.5787 176.7135 9 W 4.4668 8.0597 121.8260 59.6691 29.0725 178.5569 10 I 3.7688 8.2611 119.9631 64.1669 36.5594 178.4387 11 K 3.9611 7.9622 120.0065 59.8919 31.5440 179.0016 12 T 3.7902 8.1613 116.3690 66.5686 68.3205 176.5944 13 L 3.8828 8.1808 121.1984 57.8399 41.6099 179.8290 14 R 3.9723 7.8914 118.0332 59.3401 29.7643 178.8945 15 D 4.3323 7.9791 117.8546 56.8209 40.8032 178.3493 16 L 3.8918 7.4472 118.6332 56.5052 41.9894 177.2843 17 Y 4.6574 8.1130 112.7573 57.1409 39.6209 176.8167 18 G 4.0764 7.9401 106.5579 45.4062 0.0000 174.6075 19 N 4.3443 8.6062 117.0948 55.8886 38.5093 177.4859 20 D 4.2589 8.0037 119.2323 57.2764 41.4776 178.1620 21 V 3.5230 7.7184 118.2709 65.9883 31.5319 178.0441 22 V 3.4898 7.4988 117.8898 66.0748 31.3689 177.5772 23 D 4.3988 8.4565 119.0596 57.5940 40.7020 178.8114 24 E 3.9324 8.2670 118.8486 59.5371 28.7146 179.6365 25 S 4.0352 8.1182 115.1635 61.4950 62.8318 176.7920 26 L 3.9372 8.2955 122.1001 57.7136 41.3226 179.7773 27 K 4.3640 8.6009 120.1903 58.7091 31.7477 179.4336 28 S 4.2297 8.0233 113.6813 60.4184 62.7402 175.4143 29 V 4.0794 6.7766 114.5023 60.8735 31.6588 176.2958 30 G 3.9836 8.5281 108.0189 45.6244 0.0000 173.8681 31 W 4.9621 8.0080 119.5200 54.7750 31.0848 175.3721 32 E 4.5169 8.5605 119.6881 55.2955 29.7652 176.3190 33 P 4.2814 0.0000 0.0000 65.4647 31.5147 176.6762 34 D 4.8491 7.9384 114.9893 52.7841 39.6280 176.1839 35 R 3.8241 8.0327 120.5684 57.2679 30.3171 176.0705 36 V 4.2582 8.1829 124.4281 59.9068 32.4019 175.2286 37 I 4.2210 8.2823 126.7298 60.4862 38.1158 176.0706 38 T 4.4037 10.0152 116.4283 59.8569 70.0087 174.1754 39 P 4.4906 0.0000 0.0000 64.0316 31.4540 177.4264 40 L 4.3971 7.6773 116.8710 56.5080 41.6932 176.9947 41 E 4.2215 7.8296 119.3444 56.1812 30.0309 175.4670 42 D 5.1494 8.3020 120.2222 52.7419 44.2284 175.1843 43 I 4.3997 8.3118 125.0232 59.4627 38.9367 175.2452 44 D 4.5246 8.7068 124.5234 54.2695 41.9328 176.7090 45 D 4.5551 8.9631 125.7639 57.7479 40.7545 178.6885 46 D 4.4250 8.2148 118.6419 57.1491 41.1294 178.1310 47 E 4.0296 8.3313 119.3174 59.1703 29.3698 179.3953 48 V 3.7426 7.8930 118.0006 65.9204 31.7537 177.8093 49 R 3.9681 8.1622 118.4687 59.6879 29.9679 178.7319 50 R 3.9389 8.1425 117.7434 59.1502 30.0222 179.1223 51 I 3.5234 7.8959 119.6594 64.5516 37.1704 178.6486 52 F 3.6321 8.6728 118.3041 59.9803 38.4702 177.7314 53 A 3.9574 8.0444 120.9307 54.8627 18.1505 179.5577 54 K 3.7638 7.9988 118.2178 59.5619 32.2094 179.1186 55 V 3.3550 7.5466 118.5394 65.9492 31.3291 177.9264 56 S 3.9280 7.7326 112.8209 61.1129 61.9720 175.7221 57 E 3.8345 7.9113 121.0676 59.4254 29.5335 178.7702 58 K 4.0709 8.0918 117.6772 59.2694 32.1688 178.9956 59 T 4.1128 7.8705 109.0310 61.9121 69.0433 175.9556 60 G 3.8154 7.8599 108.8166 45.5965 0.0000 172.8769 61 K 4.4996 7.2053 117.9657 53.6261 34.2509 176.0454 62 N 4.3790 8.5369 121.4984 53.5170 39.6707 176.0683 63 V 3.6612 8.5001 124.7818 65.1739 31.1985 178.3669 64 N 4.6335 8.3338 116.6680 55.9660 38.4552 176.8342 65 E 4.0200 8.7951 121.3881 59.1821 29.7340 178.8361 66 I 3.7597 7.7456 119.8951 64.2869 37.1002 178.4145 67 W 4.3752 8.2488 119.7408 59.7528 28.8446 178.5122 68 R 4.2634 8.2909 118.6994 59.7255 29.5693 178.5148 69 E 4.0513 8.5388 118.4505 59.3109 29.4581 179.5098 70 V 3.7424 8.5939 119.0132 65.8811 31.4845 178.3289 71 G 3.7684 8.9049 105.9654 47.9553 0.0000 175.8774 72 R 4.1373 8.0662 120.7329 59.1379 30.1412 178.9303 73 Q 4.0828 8.3152 119.0261 58.5819 29.0123 177.1821 74 N 4.3707 8.7660 119.4536 55.3704 38.8380 176.8265 75 I 4.0279 7.7231 121.2147 64.3555 36.8127 177.9309 76 K 3.7298 7.8440 120.1773 59.6759 31.9922 179.0473 77 T 3.7281 7.6319 115.5243 66.5707 68.2875 176.4164 78 F 4.8915 8.2887 120.2968 60.8339 38.7933 177.8806 79 S 2.8051 7.5866 112.6500 60.5703 62.4604 175.8949 80 E 4.3188 7.5165 120.8919 58.6684 29.7409 178.2932 81 W 4.3794 8.6452 118.0133 58.1830 30.8343 176.8063 82 F 5.2615 9.3270 116.9627 54.8250 39.0516 174.0368 83 P 4.6983 0.0000 0.0000 66.0081 31.2431 178.5228 84 S 4.2461 8.3761 112.7057 61.1685 63.0304 175.2190 85 Y 4.3190 8.3895 118.9043 59.5159 37.9405 176.5205 86 F 4.8981 8.4104 117.7949 57.3174 40.3245 175.2652 87 A 4.0270 8.1276 121.4106 53.6509 18.3130 177.3293 88 G 4.0903 8.9913 112.7002 47.0969 0.0000 173.1117 89 R 4.8070 7.9896 115.9923 53.6532 34.3541 176.0346 90 R 4.7040 8.1190 118.4528 54.2507 33.5664 177.2705 91 L 2.9634 8.4984 121.9023 58.2803 41.6769 179.1935 92 V 3.5365 7.5627 116.0351 66.2696 31.4060 176.9966 93 N 4.4229 7.9131 114.5573 56.5118 38.9291 175.9790 94 F 4.4453 7.9284 120.9980 60.2627 39.5810 175.0876 95 L 3.6527 7.7494 121.5541 55.2774 41.5849 176.4018 *99 D 4.6260 8.6895 123.5908 54.1767 43.2325 177.1411 100 E 3.9217 8.1031 118.7509 59.2563 29.6358 178.5914 101 V 3.6185 7.7669 117.7879 66.5859 31.3226 177.5979 102 H 4.0618 8.0878 114.1186 58.6762 28.9897 177.3554 103 L 4.1743 7.7870 121.1793 57.7221 40.9732 179.5361 104 Q 4.0299 8.1794 118.1062 58.9087 28.5526 178.4176 105 L 3.9578 8.0532 118.3086 56.4987 41.7334 177.6426 106 T 4.6149 7.1809 106.5050 60.6749 70.0631 175.8280 107 K 4.1702 7.6667 123.9176 56.4242 31.5600 177.3044 *109 I 3.9111 7.5855 118.8862 61.8243 38.5182 175.8200 110 K 4.1900 8.6782 125.0406 57.5724 32.2973 177.1040 111 G 3.8594 8.9382 110.7953 45.9305 0.0000 173.1867 112 A 4.0323 7.5661 121.4678 52.9939 19.0989 179.0690 113 T 4.7065 8.0664 110.3231 59.3935 68.5338 172.0332 114 P 4.5331 0.0000 0.0000 62.1938 32.8403 175.4339 115 P 4.4228 0.0000 0.0000 62.7577 32.3057 175.8313 116 R 4.5626 8.5192 120.0686 55.3060 31.2961 177.0459 117 L 5.3540 8.8544 122.5933 52.7225 42.7553 177.3010 118 I 3.8153 8.0688 118.9876 62.0449 37.4987 176.1289 119 A 5.1567 8.6048 128.2802 50.2866 21.8640 175.4292 120 K 4.5994 8.8132 118.5762 54.1903 37.0681 174.4955 121 P 4.4620 0.0000 0.0000 62.7627 31.6579 176.7667 122 V 4.3273 8.2171 112.4040 60.6498 33.9053 175.1863 123 A 4.4874 7.4168 121.0207 50.8366 21.7120 177.2392 124 K 4.1822 8.5818 118.9625 59.3171 32.8715 177.7908 125 D 5.2193 8.1285 118.0074 52.4943 40.9995 174.8678 126 A 5.5762 8.4760 119.5437 51.6145 23.1311 176.0639 127 I 5.1615 9.2178 112.6822 59.4883 41.9082 174.2107 128 E 5.3683 8.7791 122.4560 53.6580 33.3778 174.1149 *130 E 4.4750 8.4184 119.7155 56.6876 31.1025 173.7802 131 Y 4.5673 8.7011 129.0004 56.3645 40.5731 174.2831 132 V 4.5101 7.6657 125.7928 61.3844 34.8842 173.9501 133 S 4.8861 8.5049 120.3257 57.5729 65.8699 176.6684 134 K 4.0145 8.6116 122.6718 58.2279 32.7825 178.3184 135 R 3.8523 7.9237 118.1115 56.3301 30.3201 175.1079 136 K 3.1911 7.9515 118.7778 56.9462 32.2752 173.4738 *138 Y 4.8680 8.3192 121.6968 58.3524 39.9715 177.1814 139 D 4.4333 8.0529 119.0014 57.4427 40.8138 178.1031 140 Y 4.4799 7.8720 119.6765 60.5739 38.8979 177.3470 141 F 4.0408 8.0923 121.0799 61.4476 39.5312 176.9653 142 L 3.7559 8.3091 118.9471 57.5271 41.3944 179.7471 143 G 3.7213 8.4414 106.1140 47.5164 0.0000 175.7282 144 L 4.4718 7.9456 123.0932 56.9902 41.5731 179.7992 145 I 3.6947 7.2636 119.4034 64.2777 36.8618 178.3203 146 E 4.0464 8.2979 119.6183 59.4449 29.3196 179.7351 147 G 3.7775 8.5859 107.3506 47.2663 0.0000 175.9943 148 S 4.5071 8.2372 117.6093 61.4831 62.9158 176.5227 149 S 4.2070 8.1927 115.8966 61.3285 62.2194 176.4213 150 K 3.9948 8.0846 120.9277 59.4258 31.6326 178.9874 151 F 3.9239 8.0228 119.4030 61.3685 39.4682 176.6223 152 F 4.1779 8.5628 113.8063 57.0087 39.0726 175.5075 153 K 3.8533 7.9042 116.9500 57.6632 29.7941 175.2365 154 E 4.7194 8.2248 118.1357 54.2363 31.5269 176.1416 155 E 4.2736 8.8542 126.7705 56.3063 30.9329 175.4897 156 I 4.9323 8.1002 118.4631 59.5242 41.4753 173.6749 157 S 4.6920 8.9612 117.3836 56.3498 65.0743 172.6066 158 V 4.7683 8.3790 126.2814 61.0322 33.7420 174.0183 159 E 4.6520 8.8649 128.3906 54.0131 32.7961 174.1382 160 E 4.3011 8.9037 128.4358 56.6455 29.6454 176.2294 161 V 4.1211 8.8987 128.0755 64.9031 32.6727 175.5057 162 E 4.9888 7.7090 115.3177 55.9890 32.0219 175.1025 163 R 4.9367 8.2204 116.2973 55.1920 33.1841 173.4583 164 G 4.1303 8.4487 105.6812 46.2959 0.0000 172.1324 165 E 5.4380 8.6678 118.4350 54.7099 33.5155 175.4349 166 K 4.4356 9.7326 123.3481 56.9043 35.6412 174.8869 167 D 4.5285 10.0171 123.7686 55.3870 38.4631 174.8901 168 G 3.8514 8.4815 105.4862 45.2225 0.0000 173.4487 169 F 4.8232 8.6551 118.6032 55.7794 42.0874 174.8890 170 S 5.5078 9.0173 116.7277 57.1016 67.0534 173.3391 171 R 5.2780 9.0784 117.2795 55.2881 33.4635 173.9507 172 L 4.6189 9.0463 122.7981 53.8221 45.6703 174.1728 173 K 4.9072 9.5649 129.2333 54.8011 34.4409 175.2987 174 V 4.9519 8.5160 119.5446 59.5410 36.0725 174.2513 175 R 4.9032 9.2003 123.7395 54.8997 32.0998 174.7388 176 I 4.7461 9.1795 128.4988 59.6109 39.2916 174.4584 177 K 4.9764 8.8072 129.5324 54.7133 34.2261 175.4601 178 F 4.8072 9.3695 126.3037 56.1910 40.4070 176.3503 179 K 4.1904 8.3453 120.3498 59.3358 32.0127 177.4338 180 N 5.0964 7.9839 114.3503 50.1436 41.6805 172.5481 181 P 4.3918 0.0000 0.0000 63.6172 31.7714 176.7932 182 V 4.0350 8.6471 112.8164 60.3747 33.4193 175.5095 183 F 5.0832 7.4917 117.0421 55.7262 41.8929 174.1604 184 E 4.5976 8.2900 121.1624 54.9514 32.3545 174.4485 185 Y 4.3765 8.4492 124.1063 58.3551 38.5304 175.6963 186 K 4.7656 8.3729 122.0926 54.1091 36.4379 176.2785 187 K 3.9816 8.6136 120.1628 56.9836 32.6183 176.9596 188 N 4.5378 8.5967 117.6009 53.7359 38.5134 175.2181 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 K 8.16 4.46 0.00 1.82 1.75 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 G 8.82 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 0.00 0.00 0.00 4 T 8.85 4.11 4.43 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 1.65 0.00 0.00 5 I 7.62 3.67 1.68 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.11 0.00 0.00 6 V 7.59 3.57 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 1.55 0.00 0.00 1.10 0.00 0.00 7 G 8.26 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 0.00 0.00 0.00 8 T 7.54 2.93 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 0.96 0.00 0.00 9 W 8.06 4.47 0.00 3.78 3.32 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 10 I 8.26 3.77 2.16 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.98 1.02 0.00 0.00 11 K 7.96 3.96 0.00 1.95 1.78 0.00 1.88 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.50 7.81 12 T 8.16 3.79 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 1.20 0.00 0.00 13 L 8.18 3.88 0.00 1.95 1.65 0.56 0.64 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 14 R 7.89 3.97 0.00 2.04 1.97 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 15 D 7.98 4.33 0.00 2.69 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 16 L 7.45 3.89 0.00 0.43 0.13 0.66 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.11 4.66 0.00 2.88 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 18 G 7.94 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 19 N 8.61 4.34 0.00 2.83 2.89 0.00 0.00 6.51 8.08 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 20 D 8.00 4.26 0.00 2.70 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 21 V 7.72 3.52 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 0.85 0.00 0.00 0.89 0.00 0.00 22 V 7.50 3.49 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 0.96 0.00 0.00 0.99 0.00 0.00 23 D 8.46 4.40 0.00 2.72 2.72 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 24 E 8.27 3.93 0.00 2.14 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 0.00 2.51 2.47 0.00 25 S 8.12 4.04 0.00 3.87 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 26 L 8.30 3.94 0.00 1.97 1.80 0.86 0.91 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 27 K 8.60 4.36 0.00 1.78 1.86 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.41 7.81 28 S 8.02 4.23 0.00 3.97 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 29 V 6.78 4.08 1.82 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 0.49 0.00 0.00 0.07 0.00 0.00 30 G 8.53 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 0.00 0.00 0.00 31 W 8.01 4.96 0.00 3.57 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 32 E 8.56 4.52 0.00 2.05 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 2.43 2.29 0.00 33 P 0.00 4.28 0.00 2.08 2.32 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 34 D 7.94 4.85 0.00 2.81 2.77 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 35 R 8.03 3.82 0.00 1.91 1.99 0.00 2.66 0.00 0.00 2.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 36 V 8.18 4.26 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 0.91 0.00 0.00 37 I 8.28 4.22 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.95 0.00 0.00 38 T 10.02 4.40 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 1.18 0.00 0.00 39 P 0.00 4.49 0.00 2.08 2.19 0.00 3.70 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 40 L 7.68 4.40 0.00 1.75 1.79 0.91 0.61 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 41 E 7.83 4.22 0.00 2.22 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 2.28 2.24 0.00 42 D 8.30 5.15 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 4.40 2.07 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 1.58 0.44 1.39 0.00 0.00 44 D 8.71 4.52 0.00 2.83 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 45 D 8.96 4.56 0.00 2.79 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 46 D 8.21 4.42 0.00 2.69 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 47 E 8.33 4.03 0.00 2.48 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 2.46 2.48 0.00 48 V 7.89 3.74 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 1.37 0.00 0.00 1.30 0.00 0.00 49 R 8.16 3.97 0.00 2.08 2.13 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 50 R 8.14 3.94 0.00 2.00 1.91 0.00 3.30 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 51 I 7.90 3.52 2.04 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 1.07 0.57 0.71 0.00 0.00 52 F 8.67 3.63 0.00 3.03 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 53 A 8.04 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.76 0.00 1.79 1.81 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.39 7.81 55 V 7.55 3.36 1.78 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 0.48 0.00 0.00 0.59 0.00 0.00 56 S 7.73 3.93 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 57 E 7.91 3.83 0.00 2.02 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 2.26 2.30 0.00 58 K 8.09 4.07 0.00 1.61 1.77 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 59 T 7.87 4.11 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 0.76 0.00 0.00 60 G 7.86 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 61 K 7.21 4.50 0.00 1.49 1.62 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.24 7.81 62 N 8.54 4.38 0.00 2.71 2.69 0.00 0.00 6.92 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 63 V 8.50 3.66 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 0.89 0.00 0.00 1.01 0.00 0.00 64 N 8.33 4.63 0.00 3.04 3.22 0.00 0.00 6.81 7.66 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 65 E 8.80 4.02 0.00 2.04 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 2.45 2.39 0.00 66 I 7.75 3.76 1.90 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.31 0.65 0.00 0.00 67 W 8.25 4.38 0.00 3.57 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 68 R 8.29 4.26 0.00 2.18 2.21 0.00 3.24 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 69 E 8.54 4.05 0.00 2.41 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 2.37 2.38 0.00 70 V 8.59 3.74 2.42 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 0.85 0.00 0.00 0.94 0.00 0.00 71 G 8.90 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 72 R 8.07 4.14 0.00 2.08 2.02 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 73 Q 8.32 4.08 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 74 N 8.77 4.37 0.00 3.25 2.86 0.00 0.00 7.22 7.58 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 75 I 7.72 4.03 1.94 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.95 0.93 0.00 0.00 76 K 7.84 3.73 0.00 1.81 1.91 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.49 7.81 77 T 7.63 3.73 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 0.47 0.00 0.00 78 F 8.29 4.89 0.00 3.50 3.40 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 79 S 7.59 2.81 0.00 3.15 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 80 E 7.52 4.32 0.00 2.35 2.26 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 2.36 2.50 0.00 81 W 8.65 4.38 0.00 3.38 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 82 F 9.33 5.26 0.00 3.44 3.50 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 83 P 0.00 4.70 0.00 2.39 2.55 0.00 3.96 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 84 S 8.38 4.25 0.00 4.02 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 85 Y 8.39 4.32 0.00 3.06 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 86 F 8.41 4.90 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.58 4.18 0.00 2.08 2.03 0.00 1.45 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.45 7.81 125 D 8.13 5.22 0.00 2.78 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 0.00 126 A 8.48 5.58 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 0.00 127 I 9.22 5.16 2.09 0.00 0.00 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 1.57 1.08 1.38 0.00 0.00 128 E 8.78 5.37 0.00 1.92 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 2.24 2.08 0.00 *130 E 8.42 4.48 0.00 2.07 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 2.22 2.29 0.00 131 Y 8.70 4.57 0.00 1.43 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 0.00 0.00 0.00 132 V 7.67 4.51 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 0.85 0.00 0.00 0.81 0.00 0.00 133 S 8.50 4.89 0.00 3.44 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 0.00 134 K 8.61 4.01 0.00 1.52 1.05 0.00 1.04 0.00 0.00 2.05 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.25 7.81 135 R 7.92 3.85 0.00 1.85 1.93 0.00 3.36 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 136 K 7.95 3.19 0.00 1.61 1.48 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.55 0.46 7.81 *138 Y 8.32 4.87 0.00 3.04 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 0.00 139 D 8.05 4.43 0.00 2.80 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 0.00 140 Y 7.87 4.48 0.00 2.72 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 0.00 141 F 8.09 4.04 0.00 2.63 2.96 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 0.00 142 L 8.31 3.76 0.00 1.70 1.63 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.44 3.72 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 0.00 144 L 7.95 4.47 0.00 1.66 1.72 0.27 0.93 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 0.00 145 I 7.26 3.69 1.75 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.77 0.00 0.00 146 E 8.30 4.05 0.00 2.15 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 2.29 2.50 0.00 147 G 8.59 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 0.00 148 S 8.24 4.51 0.00 4.25 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 0.00 149 S 8.19 4.21 0.00 3.93 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 0.00 150 K 8.08 3.99 0.00 2.09 1.88 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.70 7.81 151 F 8.02 3.92 0.00 3.07 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.56 4.18 0.00 3.24 3.31 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 0.00 0.00 0.00 0.00 153 K 7.90 3.85 0.00 1.95 1.90 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.44 7.81 154 E 8.22 4.72 0.00 1.96 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 2.31 2.57 0.00 155 E 8.85 4.27 0.00 2.06 1.83 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 2.36 2.30 0.00 156 I 8.10 4.93 1.52 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.63 0.46 0.00 0.00 157 S 8.96 4.69 0.00 3.80 3.65 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 0.00 158 V 8.38 4.77 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 0.76 0.00 0.00 0.82 0.00 0.00 159 E 8.86 4.65 0.00 2.04 1.71 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 2.18 2.21 0.00 160 E 8.90 4.30 0.00 1.99 1.83 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 2.26 2.25 0.00 161 V 8.90 4.12 2.17 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 0.83 0.00 0.00 0.93 0.00 0.00 162 E 7.71 4.99 0.00 2.01 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 2.13 2.16 0.00 163 R 8.22 4.94 0.00 1.81 1.72 0.00 3.15 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 164 G 8.45 4.13 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 0.00 0.00 0.00 165 E 8.67 5.44 0.00 1.84 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 2.26 2.39 0.00 166 K 9.73 4.44 0.00 1.75 1.62 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 167 D 10.02 4.53 0.00 2.97 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 0.00 168 G 8.48 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 0.00 169 F 8.66 4.82 0.00 3.10 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 0.00 170 S 9.02 5.51 0.00 3.89 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 0.00 171 R 9.08 5.28 0.00 1.90 1.96 0.00 2.95 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 172 L 9.05 4.62 0.00 1.04 1.22 0.71 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 173 K 9.56 4.91 0.00 1.80 1.63 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.40 7.81 174 V 8.52 4.95 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 0.86 0.00 0.00 1.02 0.00 0.00 175 R 9.20 4.90 0.00 1.83 1.78 0.00 3.07 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 176 I 9.18 4.75 1.82 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 0.99 0.56 0.37 0.00 0.00 177 K 8.81 4.98 0.00 1.80 1.60 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.60 7.81 178 F 9.37 4.81 0.00 2.92 2.96 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 0.00 179 K 8.35 4.19 0.00 1.58 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.60 7.81 180 N 7.98 5.10 0.00 2.65 2.67 0.00 0.00 6.88 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 0.00 181 P 0.00 4.39 0.00 1.99 1.98 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 182 V 8.65 4.04 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 0.02 0.00 0.00 -0.56 0.00 0.00 183 F 7.49 5.08 0.00 3.01 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 0.00 184 E 8.29 4.60 0.00 1.88 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 2.24 2.35 0.00 185 Y 8.45 4.38 0.00 3.06 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 0.00 186 K 8.37 4.77 0.00 1.72 1.68 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.61 7.81 187 K 8.61 3.98 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 188 N 8.60 4.54 0.00 2.69 2.73 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.