NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2936 8.1548 120.2450 56.8473 31.2885 174.3508 7 M 4.2791 7.2727 118.0072 52.6597 35.3667 172.8935 8 K 5.0114 8.7821 122.4776 57.6197 35.4438 173.1524 9 Y 3.9848 7.6367 117.0126 56.5084 39.1927 176.4779 10 R 3.8964 7.7475 120.7082 57.6712 28.9333 177.4224 11 K 5.1311 6.6648 112.3107 54.0108 35.8090 175.4029 12 Q 4.5397 8.3559 118.0607 56.2464 32.7515 172.4626 13 Q 4.6146 7.8462 114.3906 53.8122 33.1400 174.0539 14 R 3.8373 8.3670 118.6433 58.3445 29.6778 178.4879 15 G 4.2908 7.9597 109.9884 45.1401 0.0000 173.6076 16 R 4.7865 7.9152 123.0440 55.3836 29.2664 176.2058 17 L 4.3943 7.9678 126.9470 55.9615 46.1828 173.3384 18 K 4.8627 9.9201 123.3143 55.1097 35.4946 177.3787 19 G 3.7170 8.9912 106.1031 45.6732 0.0000 170.7543 20 A 4.0609 8.5314 122.7618 52.0391 18.2483 177.9537 21 T 4.4128 7.5168 112.5877 62.1870 72.7356 173.7322 22 K 4.3426 7.0785 120.8817 58.6423 37.7959 173.1420 23 G 4.2577 8.5983 112.4603 46.0636 0.0000 174.3216 24 G 4.8486 8.1236 110.4806 46.0783 0.0000 172.5000 25 D 4.0569 7.0540 117.2176 52.3571 44.4764 174.6924 26 Y 4.6116 7.3423 126.7205 57.7849 43.6439 175.2348 27 V 4.3324 9.9821 110.7785 62.9328 30.5417 177.9306 28 A 4.4070 9.1041 119.5843 54.6601 23.9297 178.2981 29 F 5.7984 8.8663 135.0000 58.8554 40.8118 174.6622 30 G 4.3803 8.2854 116.4194 45.2551 0.0000 173.9396 31 D 4.7938 9.0086 117.6431 55.3791 37.9871 174.3324 32 Y 4.7994 8.3793 116.0070 55.9496 37.8276 174.4545 33 G 4.4564 9.0907 109.2192 44.1534 0.0000 170.1351 34 L 5.0188 8.8465 122.7731 52.7827 44.0687 176.3586 35 V 4.6145 8.5490 125.7477 59.8457 32.2958 175.7371 36 A 4.1609 8.7611 128.8181 52.6624 19.3753 175.6386 37 L 4.5436 8.6362 115.4345 54.7402 44.4387 176.3923 38 E 4.7322 8.9793 129.4567 54.3354 31.6269 173.6838 39 P 5.0444 0.0000 0.0000 61.2238 33.1191 177.8940 40 A 3.8937 7.5126 121.5835 52.4883 23.4380 175.5618 41 W 4.8619 7.5376 116.6538 59.5405 31.7869 175.0430 42 I 4.1782 8.4647 116.2680 60.9180 41.9378 174.7071 43 T 4.0726 8.5277 119.0302 62.4331 68.5778 174.5934 44 A 3.9267 8.9368 129.6844 55.2402 18.1413 178.0316 45 Q 3.9737 7.8210 114.8512 57.5931 29.2492 179.1547 46 Q 3.6483 10.2445 118.9919 59.1570 29.9160 179.6277 47 I 3.6353 7.8564 118.8385 64.8523 36.8900 177.7638 48 E 3.8270 9.2262 119.2223 60.2497 29.3927 178.8522 49 A 3.9436 8.4509 120.1853 55.1152 18.1671 179.0084 50 A 3.9084 7.9915 116.6975 55.2026 18.5342 179.4142 51 R 3.8583 8.1746 114.4363 60.2765 29.1129 178.5713 52 V 3.5077 8.5678 119.5135 65.3740 31.3760 178.1040 53 A 3.8488 8.4018 119.9824 55.9958 18.4727 178.8027 54 M 3.4841 8.6308 117.0159 58.1651 31.7764 179.2767 55 V 3.7655 8.1777 120.1844 66.1815 32.1763 178.6123 56 R 4.0273 8.0191 114.5855 59.6109 29.5299 177.5023 57 H 4.1499 7.8191 118.6076 57.9560 29.9657 175.3056 58 F 4.4435 6.7927 118.9934 57.4957 39.3381 177.0029 59 R 4.0816 8.5185 115.0600 57.2365 28.4307 177.3144 60 R 4.2746 10.0896 116.0181 57.3071 27.9692 176.6101 61 G 4.0330 8.2096 105.2965 46.9754 0.0000 173.2081 62 G 3.7997 8.1143 112.6883 43.8800 0.0000 173.0097 63 K 3.9569 8.3988 126.5650 55.6337 32.5060 178.0901 64 I 4.9262 7.8819 117.3951 59.7447 40.8935 174.7500 65 F 5.1603 10.4352 119.9017 57.4267 40.1905 176.9391 66 I 4.1683 5.4200 135.0000 62.0188 44.6177 172.3461 67 R 4.9451 8.8932 125.7457 55.9564 29.6196 174.6569 68 I 3.6510 8.2709 118.6361 61.5458 38.3603 175.4404 69 F 4.1348 8.7507 129.0342 57.0846 40.1473 174.2171 70 P 4.8831 0.0000 0.0000 62.8842 30.9156 177.6007 71 D 4.6889 8.6362 122.3157 55.7342 39.4123 176.9136 72 K 5.0928 8.8091 118.7691 54.0432 35.1473 173.8124 73 P 4.2114 0.0000 0.0000 60.9735 33.3655 173.4460 74 Y 4.8309 6.4597 121.5162 56.1854 41.7770 174.7884 75 T 5.7033 8.4426 116.8308 60.7768 72.5521 174.6216 76 K 4.4313 9.0021 123.4654 55.9416 35.0042 178.7723 77 K 4.2807 7.9860 121.5974 57.0439 31.6585 176.9051 78 P 4.7105 0.0000 0.0000 63.5474 31.1040 178.8332 79 L 4.6817 7.7290 124.1007 54.5134 45.8024 176.2598 80 E 5.9800 8.2766 129.6720 56.7601 30.0345 178.9417 81 V 4.0076 7.0375 116.9211 63.2250 30.8883 176.2959 82 R 4.6865 8.3853 119.5043 54.4883 31.7981 174.4904 83 M 4.6317 8.1735 115.0538 54.5571 32.3239 173.9959 84 G 3.9668 8.3828 112.6878 45.5929 0.0000 172.0271 85 K 4.0086 8.2448 121.0066 56.3560 32.2238 176.2501 86 G 3.7822 8.4087 107.8309 45.7517 0.0000 174.6912 87 K 3.7987 8.2805 117.4205 56.2673 31.0059 174.8846 88 G 3.9047 7.1879 106.2616 46.5858 0.0000 171.1924 89 N 4.6600 8.6992 117.9981 52.9937 38.0203 174.5707 90 V 4.4966 8.5309 113.4252 58.6175 34.4253 175.1828 91 E 4.6636 9.3514 121.8218 55.9679 32.4228 175.9506 92 G 4.4189 7.2855 105.9479 44.2123 0.0000 171.6247 93 Y 5.4669 8.2207 118.7409 55.1679 41.9563 174.9915 94 V 5.1790 10.6021 116.7174 60.1342 37.2442 174.1473 95 A 5.6736 8.8984 123.2077 50.6841 21.3094 177.0673 96 V 4.3813 8.2287 117.9476 61.5275 33.9566 174.6930 97 V 4.4560 8.8222 121.2085 59.6534 34.8519 176.7331 98 K 4.2744 8.9233 122.9605 55.0108 34.4455 174.1849 99 P 4.3794 0.0000 0.0000 61.0676 31.2150 175.0535 100 G 4.0255 9.1576 108.7856 46.6066 0.0000 171.8302 101 R 4.6095 7.7426 126.3370 53.8559 35.3437 175.6987 102 V 3.7084 7.8473 120.3536 61.7679 29.8417 173.5806 103 M 4.2741 8.6518 127.8875 54.8912 33.7496 175.2368 104 F 4.9426 9.0550 124.6110 56.4524 39.8409 174.3489 105 E 5.2170 8.7220 123.9496 53.8480 30.0704 177.6849 106 V 2.7372 7.6883 123.6136 61.5766 32.5766 176.2707 107 A 4.5136 7.6221 128.8972 52.1639 16.4676 177.1248 108 G 4.2191 6.8799 103.2497 45.7716 0.0000 174.2495 109 V 3.9320 8.2263 116.1522 61.6670 33.2154 176.2179 110 T 3.3709 7.7549 117.1299 63.5654 65.9683 171.3689 111 E 4.7803 7.0564 118.6342 54.5026 33.5857 177.6298 112 E 4.2546 9.2108 119.7432 58.0765 29.2074 179.2021 113 Q 3.9897 8.3014 120.2309 59.2150 28.8406 177.7970 114 A 4.5634 8.2264 121.1473 56.6618 18.4361 178.2023 115 M 3.7427 8.5871 113.6654 59.4321 31.9042 178.0748 116 E 3.7754 9.1044 117.2645 59.5427 30.0131 179.3142 117 A 3.8935 8.4825 120.5028 56.1730 18.3580 179.0707 118 L 3.9066 8.8184 117.1570 57.6924 41.5444 181.6147 119 R 3.4634 8.8128 117.2350 58.4756 31.4825 178.4946 120 I 3.9180 8.3954 118.6277 64.1925 37.4075 178.4236 121 A 4.0098 8.0473 122.1678 55.0686 18.0331 179.8363 122 G 3.4945 8.4185 102.9656 48.6370 0.0000 175.2516 123 H 4.0214 8.3025 121.2350 58.3408 29.9392 175.2433 124 K 3.6730 8.3440 121.9791 55.5940 33.2513 180.7242 125 L 4.1036 7.0345 115.8395 54.9637 44.5346 174.9941 126 P 4.9802 0.0000 0.0000 62.5552 32.0897 174.9986 127 I 4.0211 6.5958 112.4743 61.8385 41.8652 172.9371 128 K 4.5889 8.0477 119.1101 55.8703 33.5968 176.0965 129 T 4.6383 8.0192 113.1367 61.3458 71.6014 171.4882 130 K 4.7310 8.6923 122.3976 55.4450 36.2670 174.1951 131 I 5.0230 7.8530 119.3882 60.0865 41.4404 175.9458 132 V 4.4588 8.4966 116.2567 62.1251 39.9763 171.6452 133 R 4.9750 8.6734 121.8222 55.3566 32.1641 175.3600 134 R 4.1605 8.5867 116.5354 57.2723 30.3092 176.5028 135 D 4.6227 8.1271 114.9788 52.6357 42.4479 176.5459 136 A 4.5125 8.4158 115.9110 52.3619 22.9862 177.8712 137 Y 3.4517 8.6688 122.0359 58.6210 39.2138 171.6424 138 D 4.6170 9.0408 115.7993 52.6891 42.2482 174.4288 139 E 4.8833 8.5494 126.1669 54.2925 31.2938 174.6098 140 A 4.8345 7.9490 129.6979 49.9938 21.9684 176.0936 141 Q 4.1743 8.4774 115.0837 56.7311 28.9663 175.9067 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 6 R 8.15 4.29 0.00 2.02 1.92 0.00 3.18 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 7 M 7.27 4.28 0.00 1.67 1.48 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 8 K 8.78 5.01 0.00 2.08 2.37 0.00 1.34 0.00 0.00 1.93 0.00 0.00 3.29 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.29 7.81 9 Y 7.64 3.98 0.00 3.03 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 10 R 7.75 3.90 0.00 1.81 2.04 0.00 3.15 0.00 0.00 2.94 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 11 K 6.66 5.13 0.00 1.79 1.22 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.48 7.81 12 Q 8.36 4.54 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.54 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 13 Q 7.85 4.61 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 14 R 8.37 3.84 0.00 1.81 1.80 0.00 3.37 0.00 0.00 3.24 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 15 G 7.96 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 16 R 7.92 4.79 0.00 1.98 1.61 0.00 3.50 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 17 L 7.97 4.39 0.00 1.62 1.48 0.97 0.78 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 18 K 9.92 4.86 0.00 1.90 1.90 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.39 7.81 19 G 8.99 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 20 A 8.53 4.06 1.18 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 0.00 0.00 21 T 7.52 4.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 22 K 7.08 4.34 0.00 1.66 1.53 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.33 7.81 23 G 8.60 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 0.00 0.00 0.00 24 G 8.12 4.85 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 25 D 7.05 4.06 0.00 2.37 2.27 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 26 Y 7.34 4.61 0.00 3.05 3.05 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 0.00 0.00 0.00 0.00 27 V 9.98 4.33 2.37 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 1.54 0.00 0.00 1.17 0.00 0.00 28 A 9.10 4.41 1.43 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 0.00 0.00 29 F 8.87 5.80 0.00 3.64 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 30 G 8.29 4.38 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 0.00 31 D 9.01 4.79 0.00 2.89 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 32 Y 8.38 4.80 0.00 3.10 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 33 G 9.09 4.46 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 34 L 8.85 5.02 0.00 1.58 1.62 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.55 4.61 2.05 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 0.73 0.00 0.00 0.91 0.00 0.00 36 A 8.76 4.16 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 37 L 8.64 4.54 0.00 1.72 1.52 0.93 0.78 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 38 E 8.98 4.73 0.00 1.87 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 2.21 2.22 0.00 39 P 0.00 5.04 0.00 2.16 1.01 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 40 A 7.51 3.89 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 41 W 7.54 4.86 0.00 3.17 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.46 4.18 1.92 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 1.38 1.63 0.96 0.00 0.00 43 T 8.53 4.07 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 1.20 0.00 0.00 44 A 8.94 3.93 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 45 Q 7.82 3.97 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 46 Q 10.24 3.65 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 47 I 7.86 3.64 2.26 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 1.52 0.65 0.86 0.00 0.00 48 E 9.23 3.83 0.00 1.92 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 2.55 2.49 0.00 49 A 8.45 3.94 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 50 A 7.99 3.91 1.37 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 51 R 8.17 3.86 0.00 2.08 2.22 0.00 2.83 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.95 0.00 52 V 8.57 3.51 2.21 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 1.08 0.00 0.00 0.98 0.00 0.00 53 A 8.40 3.85 1.33 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 54 M 8.63 3.48 0.00 2.40 2.34 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 2.75 2.98 0.00 55 V 8.18 3.77 2.24 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 0.91 0.00 0.00 1.06 0.00 0.00 56 R 8.02 4.03 0.00 1.95 2.02 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 57 H 7.82 4.15 0.00 2.85 2.84 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 6.79 4.44 0.00 3.29 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.52 4.08 0.00 1.93 2.08 0.00 3.17 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 60 R 10.09 4.27 0.00 1.88 2.19 0.00 3.22 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 61 G 8.21 4.03 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 0.00 0.00 0.00 62 G 8.11 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.40 3.96 0.00 1.74 1.69 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.38 7.81 64 I 7.88 4.93 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 0.95 0.00 0.00 65 F 10.44 5.16 0.00 3.00 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 0.00 0.00 0.00 0.00 66 I 5.42 4.17 1.70 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 1.29 0.61 0.87 0.00 0.00 67 R 8.89 4.95 0.00 2.29 2.28 0.00 3.09 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 68 I 8.27 3.65 1.90 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 1.33 0.76 0.94 0.00 0.00 69 F 8.75 4.13 0.00 3.16 2.98 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 70 P 0.00 4.88 0.00 2.35 2.03 0.00 2.20 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 71 D 8.64 4.69 0.00 2.98 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 72 K 8.81 5.09 0.00 2.24 2.10 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.48 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.59 1.67 7.81 73 P 0.00 4.21 0.00 1.95 2.12 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 74 Y 6.46 4.83 0.00 2.83 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 75 T 8.44 5.70 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 1.55 0.00 0.00 76 K 9.00 4.43 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.43 7.81 77 K 7.99 4.28 0.00 1.85 1.55 0.00 1.48 0.00 0.00 1.53 0.00 0.00 3.10 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.35 1.43 7.81 78 P 0.00 4.71 0.00 2.11 1.13 0.00 3.80 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 2.17 2.11 0.00 79 L 7.73 4.68 0.00 1.55 1.63 0.92 0.86 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 80 E 8.28 5.98 0.00 2.16 2.13 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 2.04 2.07 0.00 81 V 7.04 4.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 82 R 8.39 4.69 0.00 1.79 1.83 0.00 3.23 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 83 M 8.17 4.63 0.00 2.10 2.02 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 2.45 2.44 0.00 84 G 8.38 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.24 4.01 0.00 1.70 1.77 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.52 7.81 86 G 8.41 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 87 K 8.28 3.80 0.00 1.89 1.89 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 88 G 7.19 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 89 N 8.70 4.66 0.00 2.96 3.08 0.00 0.00 6.70 7.68 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 90 V 8.53 4.50 2.35 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 0.83 0.00 0.00 1.05 0.00 0.00 91 E 9.35 4.66 0.00 1.87 2.13 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 2.32 2.35 0.00 92 G 7.29 4.42 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 0.00 93 Y 8.22 5.47 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 10.60 5.18 2.57 0.00 0.00 0.00 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 1.15 0.00 0.00 95 A 8.90 5.67 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 96 V 8.23 4.38 2.12 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 0.65 0.00 0.00 1.16 0.00 0.00 97 V 8.82 4.46 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 0.74 0.00 0.00 0.91 0.00 0.00 98 K 8.92 4.27 0.00 1.54 1.67 0.00 1.36 0.00 0.00 1.31 0.00 0.00 2.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.06 1.23 7.81 99 P 0.00 4.38 0.00 2.10 2.01 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 100 G 9.16 4.03 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 0.00 0.00 0.00 101 R 7.74 4.61 0.00 1.58 1.80 0.00 3.29 0.00 0.00 3.66 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 102 V 7.85 3.71 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 -0.66 0.00 0.00 103 M 8.65 4.27 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 104 F 9.06 4.94 0.00 2.94 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 0.00 105 E 8.72 5.22 0.00 1.90 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 2.31 2.34 0.00 106 V 7.69 2.74 1.55 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 -0.37 0.00 0.00 0.28 0.00 0.00 107 A 7.62 4.51 0.40 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 0.00 0.00 108 G 6.88 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 0.00 0.00 0.00 0.00 109 V 8.23 3.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.31 0.00 0.00 110 T 7.75 3.37 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 1.17 0.00 0.00 111 E 7.06 4.78 0.00 2.18 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 2.18 2.12 0.00 112 E 9.21 4.25 0.00 2.20 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 0.00 2.30 2.40 0.00 113 Q 8.30 3.99 0.00 2.22 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 2.41 2.41 0.00 114 A 8.23 4.56 1.74 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 0.00 115 M 8.59 3.74 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 116 E 9.10 3.78 0.00 2.33 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 2.36 2.56 0.00 117 A 8.48 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.82 3.91 0.00 1.81 1.72 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.81 3.46 0.00 1.93 2.15 0.00 3.08 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 120 I 8.40 3.92 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.55 0.98 0.00 0.00 121 A 8.05 4.01 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 0.00 122 G 8.42 3.49 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 0.00 123 H 8.30 4.02 0.00 3.06 3.57 0.00 5.95 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.34 3.67 0.00 1.65 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.35 7.81 125 L 7.03 4.10 0.00 1.81 1.31 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.98 0.00 2.15 2.34 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 127 I 6.60 4.02 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.23 0.94 0.00 0.00 128 K 8.05 4.59 0.00 1.72 1.76 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.43 7.81 129 T 8.02 4.64 4.38 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 1.22 0.00 0.00 130 K 8.69 4.73 0.00 1.79 1.66 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.40 7.81 131 I 7.85 5.02 1.90 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 1.52 0.71 1.03 0.00 0.00 132 V 8.50 4.46 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 0.74 0.00 0.00 0.94 0.00 0.00 133 R 8.67 4.98 0.00 1.89 2.00 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 134 R 8.59 4.16 0.00 2.03 2.15 0.00 3.21 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 135 D 8.13 4.62 0.00 2.66 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 0.00 136 A 8.42 4.51 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 0.00 137 Y 8.67 3.45 0.00 2.98 2.14 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 0.00 138 D 9.04 4.62 0.00 2.59 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 0.00 139 E 8.55 4.88 0.00 2.00 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 2.38 2.28 0.00 140 A 7.95 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.48 4.17 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00