NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3572 8.1627 120.3410 55.1875 32.8962 174.3534 2 K 4.7066 8.2460 129.7631 55.2490 31.1518 168.2865 3 V 4.3987 8.7610 124.3044 61.2213 33.3472 174.5968 4 I 4.4611 9.0359 131.2996 62.7423 37.3815 176.6283 5 F 3.4982 8.7015 113.8525 57.9487 38.7887 174.2824 6 L 5.0305 7.9983 128.3898 54.6048 44.2705 172.5523 7 K 4.9752 7.0301 125.1130 58.8084 38.4742 176.5325 8 D 5.5725 7.8047 124.5293 53.5904 40.4666 177.9633 9 V 3.6060 8.1869 127.1629 62.2940 29.3659 169.8768 10 K 4.3188 7.6501 124.2791 56.6396 30.5473 175.0707 11 G 4.2672 7.7057 114.3177 45.5673 0.0000 174.9712 12 K 5.2721 8.3021 126.7443 55.3081 34.9074 173.3863 13 G 4.2734 7.6086 109.3846 45.8160 0.0000 173.6115 14 K 4.5894 7.9428 128.8303 57.3646 31.9441 179.1780 15 K 4.4470 7.7250 119.5090 55.2063 32.5545 176.5682 16 G 3.8881 8.7075 111.4343 46.3204 0.0000 172.2900 17 E 3.9943 5.9000 120.8374 54.3707 27.7504 174.0561 18 I 5.2076 6.9675 121.1793 59.7657 39.3377 174.6384 19 K 4.4495 8.5771 129.9608 54.1400 34.7788 176.0992 20 N 5.3967 8.7076 126.4314 52.5680 36.8318 174.4140 21 V 3.4976 7.5952 119.4988 64.2290 32.3431 176.5223 22 A 3.3549 8.1249 121.1631 54.7063 18.1807 177.0046 23 D 4.0613 8.5405 119.3743 54.4277 42.6206 175.7131 24 G 4.2341 8.6392 111.1471 49.8538 0.0000 175.9174 25 Y 4.5533 10.1620 108.1248 60.4960 38.0259 178.0524 26 A 3.1114 6.0503 134.4997 56.2883 18.5395 178.5235 27 N 4.0786 7.9460 115.5182 57.0567 38.9424 176.5064 28 N 4.3515 9.4005 118.7524 56.7678 39.3495 177.5620 29 F 4.4612 7.1333 114.4683 59.1344 38.1446 176.8731 30 L 4.1785 6.6050 117.6371 56.2670 42.1675 177.8683 31 F 5.1600 7.3242 115.0577 58.2702 40.4825 177.7807 32 K 3.9087 7.4889 116.6414 59.8116 32.1491 177.9629 33 Q 4.0053 8.2005 115.8418 57.7674 28.6638 176.9483 34 G 4.0257 9.5606 106.6677 46.2938 0.0000 173.7052 35 L 4.3696 7.9330 128.1004 53.8559 43.9090 172.2921 36 A 3.3903 8.0742 118.2660 51.3362 19.2477 175.7015 37 I 3.5517 6.8457 113.3600 61.0995 41.3033 173.4932 38 E 5.0563 9.5076 121.0709 55.9528 30.9740 179.0050 39 A 3.1723 9.0633 121.0332 53.5044 20.7860 178.1662 40 T 3.5118 8.1378 108.9388 64.1180 65.5331 172.1713 41 P 4.1098 0.0000 0.0000 66.0027 31.8260 178.7712 42 A 3.8384 7.7683 119.1603 55.5756 18.3229 178.3719 43 N 4.4598 9.0769 114.3575 55.9412 38.9854 178.5325 44 L 3.7978 7.4380 119.3356 56.8310 42.2700 179.1439 45 K 4.2776 8.2093 118.3437 57.8532 32.7048 178.3422 46 A 3.9770 10.6000 121.1748 55.0008 18.3162 179.6208 47 L 3.9373 7.8168 117.6513 59.1743 40.4245 178.9211 48 E 4.0463 8.1884 119.2838 58.1176 29.5629 178.4896 49 A 3.9383 8.3138 121.6792 55.1047 18.5956 178.8754 50 Q 4.1476 7.8728 115.9384 57.4392 29.1109 177.6099 51 K 4.1372 7.8745 118.4819 59.4874 32.5193 178.6566 52 Q 4.5364 7.7081 119.9724 57.6676 28.7468 178.4241 53 K 3.9409 8.1731 119.7680 59.7081 32.2599 179.0375 54 E 3.9907 8.1510 118.6628 59.7919 28.8511 179.5686 55 Q 4.1782 7.9739 117.3396 58.4436 28.7984 178.5326 56 R 3.8562 8.0191 119.3554 58.7738 30.1213 178.4273 57 Q 4.4249 7.6261 114.5918 57.4793 29.0009 177.3520 58 A 4.4349 7.7501 121.2218 54.1944 19.8053 178.8002 59 A 3.9769 7.3457 117.6125 55.8850 18.5292 178.4552 60 E 3.7696 8.4100 117.4277 58.6321 28.9926 178.1879 61 E 3.8766 8.2388 119.8696 59.1469 28.9722 179.4547 62 L 3.9701 8.0171 119.2027 57.2804 40.9172 178.4290 63 A 4.0142 10.4080 119.0934 53.4751 18.3920 178.4762 64 N 4.6125 7.9215 113.1093 53.9227 39.2215 176.0058 65 A 4.6347 7.1986 119.6911 51.5535 19.4603 177.0630 66 K 4.4744 7.4952 118.8837 56.9507 34.2865 178.7249 67 K 3.9863 7.5784 119.5261 59.2086 32.1646 178.9617 68 L 4.1412 7.8629 119.9141 57.6814 41.5609 178.3346 69 K 3.6277 8.4272 116.4736 61.0831 31.5985 177.9697 70 E 4.0750 7.9078 119.5565 59.8472 30.2381 179.1190 71 Q 4.0973 7.7937 118.9171 58.2670 28.1629 178.8874 72 L 4.3024 8.0584 119.8203 56.8723 41.8901 177.9357 73 E 4.4450 7.9878 115.5157 56.4928 29.4033 176.9395 74 K 4.2957 7.4594 118.3671 57.7734 33.7370 176.6951 75 L 4.3628 7.5608 118.4568 54.0558 43.3256 174.9841 76 T 4.3683 7.9963 110.3335 61.4162 71.1773 175.2705 77 V 4.3782 8.0607 118.5091 62.0402 32.6342 172.1615 78 T 4.9785 7.7628 113.6507 59.0742 70.2461 176.0538 79 I 4.5851 7.8463 125.9903 59.8379 39.6503 170.4716 80 P 5.3088 0.0000 0.0000 61.5137 30.9327 176.9223 81 A 4.5054 8.1356 135.0000 52.3703 21.8049 175.5491 82 K 4.6736 8.7459 113.7269 55.0677 34.9042 174.4789 83 A 3.5044 7.3065 118.6044 53.0222 22.3030 173.8740 84 G 3.9641 6.7081 99.6679 46.2074 0.0000 174.9859 85 E 4.6241 7.6405 117.7405 55.2839 31.2290 176.2625 86 G 3.9997 7.3099 107.8287 46.6098 0.0000 174.3325 *88 R 4.9145 7.4002 115.4713 54.6272 31.6138 175.1501 89 L 4.1135 7.9807 118.6469 54.6798 42.0351 177.3413 90 F 4.6375 8.5300 117.1506 58.5723 39.8781 176.9717 91 G 4.0358 7.4075 108.6660 45.9383 0.0000 173.6846 92 S 3.8356 7.2234 115.0993 56.9104 68.0035 175.0850 93 I 4.9205 7.9459 115.8924 61.3373 38.5462 173.8093 94 T 4.4743 8.3550 120.5151 60.0106 68.7258 175.3090 95 S 4.2095 8.5236 121.3823 60.2040 62.4892 175.9056 96 K 4.0290 7.6176 120.5631 60.0720 32.3487 177.9937 97 Q 5.3333 7.9619 116.6769 57.3755 30.3229 179.4057 98 I 3.8688 8.7623 116.6010 63.1734 36.9764 178.7560 99 A 2.9808 6.5139 125.5667 53.5916 19.3221 183.8991 100 E 3.2802 7.7689 115.1812 56.2076 33.7969 181.7800 101 S 4.5082 8.1725 111.2545 59.0683 63.1016 178.9009 102 L 3.5364 8.2856 130.4109 59.4176 43.9590 178.1998 103 Q 4.3903 8.4679 111.9693 55.5957 27.1667 180.4263 104 A 3.1852 5.8000 122.2039 53.5912 22.1141 182.2871 105 Q 4.2228 7.6851 111.5271 57.0731 28.5901 179.7712 106 H 3.9098 8.8850 123.4699 59.1859 29.5936 172.9053 107 G 3.7539 8.8853 111.2945 44.4197 0.0000 173.9223 108 L 4.2038 8.4382 120.5677 54.0502 43.4890 176.5233 109 K 4.0764 8.4902 125.4234 57.1860 33.0274 175.8473 110 L 4.5221 8.0493 122.2577 53.3430 45.1032 175.3412 111 D 4.6729 8.4041 123.0757 54.9036 41.0221 176.4096 112 K 4.5904 8.2536 113.7179 57.6063 35.2390 176.4741 113 R 4.3800 7.8676 118.3358 57.8643 31.8317 177.9470 114 K 4.4121 7.8419 119.3725 55.3129 31.1704 181.6343 115 I 2.9948 8.1791 125.8263 62.7755 34.1074 174.2652 116 E 4.2231 8.4952 129.9933 55.2987 27.8226 174.5887 117 L 4.5917 7.9314 121.8077 52.3613 43.6449 176.5281 118 A 4.2057 8.7853 127.5970 54.7097 18.9126 176.1739 119 D 4.3345 7.4238 112.8614 52.9723 41.0265 175.3959 120 A 4.5259 8.4705 121.0248 50.9445 18.2687 178.2003 121 I 4.1907 7.4121 121.6489 61.2836 37.1205 177.2767 122 R 5.0241 8.9268 132.0636 58.6570 28.2083 176.0575 123 A 3.8575 7.8059 118.5500 52.2139 18.3442 176.9111 124 L 3.2656 9.0669 119.3499 55.8384 43.5371 175.7089 125 G 3.6144 8.0842 106.1427 46.3568 0.0000 173.2178 126 Y 4.5492 8.7086 122.4833 58.5936 38.3737 176.6154 127 T 4.6232 8.8064 122.2228 62.2830 71.2491 173.5583 128 N 4.6264 8.6948 123.6703 53.1171 38.5154 175.2115 129 V 4.2543 8.2253 119.5796 60.5170 34.1999 173.4211 130 P 4.7009 0.0000 0.0000 62.9056 30.5524 173.9065 131 V 4.1722 8.6300 127.6097 62.1848 32.7729 175.2295 132 K 4.3836 8.7580 128.3291 56.4655 30.3911 176.5629 133 L 4.2106 7.6982 124.6894 54.5531 42.7302 176.0876 134 H 4.9643 8.9105 118.2197 54.1820 32.1500 175.2639 135 P 4.0763 0.0000 0.0000 64.8936 31.6566 176.5346 136 E 4.5309 8.0393 115.6413 56.3884 31.7273 176.5898 137 V 4.6221 7.8755 112.0177 59.6028 35.3546 173.6690 138 T 4.8217 7.7773 114.0635 61.0099 68.8345 176.9383 139 A 4.2623 9.1483 118.0568 51.5612 21.5361 174.7527 140 T 4.9490 7.9917 120.3775 63.3495 67.4784 173.8380 141 L 4.7514 7.8205 128.5685 53.9370 44.6638 174.9983 142 K 4.7414 8.3956 120.2458 55.8487 34.6197 176.7707 143 V 4.3544 8.2044 121.1922 61.8240 34.7846 173.6877 144 H 4.7204 9.2167 126.7443 53.7368 29.2402 173.5071 145 V 4.4618 8.4337 134.5143 63.0620 33.6522 173.6571 146 T 4.1173 8.2296 111.1527 60.6596 68.8011 172.3716 147 E 5.1473 9.1717 128.1138 62.2856 29.5215 178.4155 148 Q 3.1033 7.8700 115.6327 56.8228 30.1926 176.3572 149 K 4.0968 12.0000 124.5644 56.7280 33.7245 174.9984 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 1 M 8.16 4.36 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 K 8.25 4.71 0.00 1.99 1.72 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.70 1.57 7.81 3 V 8.76 4.40 2.36 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 1.00 0.00 0.00 1.01 0.00 0.00 4 I 9.04 4.46 2.20 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.21 0.00 0.00 5 F 8.70 3.50 0.00 3.31 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.00 5.03 0.00 1.44 1.98 0.95 0.46 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 7 K 7.03 4.98 0.00 1.82 1.53 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.32 7.81 8 D 7.80 5.57 0.00 2.72 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 0.00 0.00 0.00 9 V 8.19 3.61 2.23 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 0.77 0.00 0.00 0.99 0.00 0.00 10 K 7.65 4.32 0.00 2.01 2.13 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.19 7.81 11 G 7.71 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 0.00 0.00 0.00 0.00 12 K 8.30 5.27 0.00 1.73 1.76 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.42 1.34 7.81 13 G 7.61 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 0.00 0.00 0.00 0.00 14 K 7.94 4.59 0.00 1.85 1.94 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.63 7.81 15 K 7.72 4.45 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 16 G 8.71 3.89 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 0.00 0.00 0.00 17 E 5.90 3.99 0.00 1.88 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 2.09 2.17 0.00 18 I 6.97 5.21 2.10 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 1.26 1.37 0.85 0.00 0.00 19 K 8.58 4.45 0.00 1.76 1.63 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.39 7.81 20 N 8.71 5.40 0.00 2.71 2.76 0.00 0.00 7.20 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 21 V 7.60 3.50 1.93 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 0.64 0.00 0.00 0.88 0.00 0.00 22 A 8.12 3.35 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.54 4.06 0.00 2.50 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.64 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 0.00 0.00 0.00 0.00 25 Y 10.16 4.55 0.00 3.46 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 26 A 6.05 3.11 1.14 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 0.00 0.00 27 N 7.95 4.08 0.00 2.87 2.80 0.00 0.00 6.71 6.25 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 28 N 9.40 4.35 0.00 2.76 3.16 0.00 0.00 7.15 7.59 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 29 F 7.13 4.46 0.00 3.22 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 30 L 6.60 4.18 0.00 0.94 0.97 0.60 0.73 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 31 F 7.32 5.16 0.00 3.01 2.87 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 32 K 7.49 3.91 0.00 2.14 1.95 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.75 7.81 33 Q 8.20 4.01 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 34 G 9.56 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 35 L 7.93 4.37 0.00 1.94 1.74 1.00 1.02 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 36 A 8.07 3.39 1.15 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 37 I 6.85 3.55 1.54 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 1.14 0.03 0.82 0.00 0.00 38 E 9.51 5.06 0.00 1.84 1.88 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 2.34 2.27 0.00 39 A 9.06 3.17 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 40 T 8.14 3.51 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 1.17 0.00 0.00 41 P 0.00 4.11 0.00 2.17 2.08 0.00 3.62 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 2.11 2.13 0.00 42 A 7.77 3.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.08 4.46 0.00 2.67 2.70 0.00 0.00 7.14 5.18 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 44 L 7.44 3.80 0.00 1.74 1.73 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.21 4.28 0.00 2.24 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.53 7.81 46 A 10.60 3.98 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 47 L 7.82 3.94 0.00 2.04 1.97 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.19 4.05 0.00 2.12 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 2.38 2.44 0.00 49 A 8.31 3.94 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 50 Q 7.87 4.15 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 51 K 7.87 4.14 0.00 1.86 1.87 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.72 7.81 52 Q 7.71 4.54 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.61 0.00 53 K 8.17 3.94 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.63 7.81 54 E 8.15 3.99 0.00 2.19 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 2.57 2.53 0.00 55 Q 7.97 4.18 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.75 0.00 56 R 8.02 3.86 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 57 Q 7.63 4.42 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 58 A 7.75 4.43 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 59 A 7.35 3.98 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 60 E 8.41 3.77 0.00 2.16 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 0.00 2.30 2.35 0.00 61 E 8.24 3.88 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 62 L 8.02 3.97 0.00 2.06 1.70 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 A 10.41 4.01 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 64 N 7.92 4.61 0.00 2.66 2.85 0.00 0.00 6.79 7.35 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 65 A 7.20 4.63 1.15 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 66 K 7.50 4.47 0.00 1.96 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.53 7.81 67 K 7.58 3.99 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.52 7.81 68 L 7.86 4.14 0.00 1.68 1.73 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.43 3.63 0.00 2.06 1.83 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.68 7.81 70 E 7.91 4.08 0.00 2.19 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 2.31 2.39 0.00 71 Q 7.79 4.10 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 72 L 8.06 4.30 0.00 1.64 1.69 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.99 4.44 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 74 K 7.46 4.30 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.34 7.81 75 L 7.56 4.36 0.00 1.62 1.60 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.00 4.37 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 1.29 0.00 0.00 77 V 8.06 4.38 2.36 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 0.87 0.00 0.00 0.91 0.00 0.00 78 T 7.76 4.98 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 1.11 0.00 0.00 79 I 7.85 4.59 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 0.89 0.00 0.00 80 P 0.00 5.31 0.00 2.05 2.09 0.00 3.09 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 81 A 8.14 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 82 K 8.75 4.67 0.00 1.96 1.97 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.82 1.46 7.81 83 A 7.31 3.50 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 6.71 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 85 E 7.64 4.62 0.00 1.90 1.88 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 2.22 2.28 0.00 86 G 7.31 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 0.00 0.00 0.00 *88 R 7.40 4.91 0.00 1.82 1.83 0.00 3.39 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 89 L 7.98 4.11 0.00 1.58 1.61 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.53 4.64 0.00 3.04 3.03 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 91 G 7.41 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.22 3.84 0.00 4.27 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 93 I 7.95 4.92 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.53 0.92 0.00 0.00 94 T 8.36 4.47 4.24 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 1.24 0.00 0.00 95 S 8.52 4.21 0.00 3.88 3.84 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 96 K 7.62 4.03 0.00 1.79 1.79 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.41 7.81 97 Q 7.96 5.33 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 98 I 8.76 3.87 3.04 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 1.21 1.18 0.89 0.00 0.00 99 A 6.51 2.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.77 3.28 0.00 2.10 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 0.00 2.37 2.54 0.00 101 S 8.17 4.51 0.00 4.17 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 0.00 102 L 8.29 3.54 0.00 1.88 2.00 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.47 4.39 0.00 2.36 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 104 A 5.80 3.19 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 0.00 105 Q 7.69 4.22 0.00 1.90 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 106 H 8.89 3.91 0.00 3.18 3.35 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.89 3.75 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 0.00 0.00 0.00 108 L 8.44 4.20 0.00 1.62 1.60 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.49 4.08 0.00 1.90 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 110 L 8.05 4.52 0.00 1.57 1.51 0.92 1.20 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 0.00 111 D 8.40 4.67 0.00 2.68 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 0.00 112 K 8.25 4.59 0.00 1.85 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81 113 R 7.87 4.38 0.00 1.82 2.02 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 114 K 7.84 4.41 0.00 1.74 1.15 0.00 2.08 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.41 7.81 115 I 8.18 2.99 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 1.41 0.39 0.90 0.00 0.00 116 E 8.50 4.22 0.00 2.01 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 2.34 2.36 0.00 117 L 7.93 4.59 0.00 1.60 1.58 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.79 4.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 7.42 4.33 0.00 2.74 2.62 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 0.00 120 A 8.47 4.53 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 0.00 121 I 7.41 4.19 1.86 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 1.29 0.43 0.93 0.00 0.00 122 R 8.93 5.02 0.00 1.92 2.00 0.00 3.18 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.00 123 A 7.81 3.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.07 3.27 0.00 1.61 1.71 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.08 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.71 4.55 0.00 2.87 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 0.00 127 T 8.81 4.62 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 1.22 0.00 0.00 128 N 8.69 4.63 0.00 2.91 2.88 0.00 0.00 5.97 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 0.00 129 V 8.23 4.25 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 0.81 0.00 0.00 0.94 0.00 0.00 130 P 0.00 4.70 0.00 2.58 2.22 0.00 3.90 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 2.11 1.81 0.00 131 V 8.63 4.17 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 1.00 0.00 0.00 1.00 0.00 0.00 132 K 8.76 4.38 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.47 7.81 133 L 7.70 4.21 0.00 1.59 1.59 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.91 4.96 0.00 3.14 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.08 0.00 1.94 1.98 0.00 3.05 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.03 0.00 136 E 8.04 4.53 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 2.20 2.32 0.00 137 V 7.88 4.62 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 1.03 0.00 0.00 138 T 7.78 4.82 4.53 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 1.26 0.00 0.00 139 A 9.15 4.26 1.22 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 0.00 140 T 7.99 4.95 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 1.22 0.00 0.00 141 L 7.82 4.75 0.00 1.69 1.54 0.90 0.42 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 0.00 142 K 8.40 4.74 0.00 1.92 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.48 7.81 143 V 8.20 4.35 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 1.02 0.00 0.00 0.89 0.00 0.00 144 H 9.22 4.72 0.00 2.18 1.91 0.00 5.31 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.43 4.46 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 0.94 0.00 0.00 0.87 0.00 0.00 146 T 8.23 4.12 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 1.22 0.00 0.00 147 E 9.17 5.15 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.20 0.00 148 Q 7.87 3.10 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.91 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 149 K 12.00 4.10 0.00 1.94 1.86 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.