NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3614 8.3044 120.3256 55.9092 33.4076 174.3529 2 Q 4.2934 8.1418 118.8944 55.8499 31.0448 172.2920 *3 K 4.4946 9.2766 131.1532 54.4528 34.4121 172.6262 4 T 5.0789 8.6543 118.5990 61.5924 69.5249 173.0391 5 P 5.1350 0.0000 0.0000 63.4167 32.0030 176.9383 *6 Q 4.4661 8.5158 125.0231 54.1068 28.3931 172.0443 7 I 3.9339 8.0404 125.8465 60.9491 38.7839 176.2578 8 Q 4.4421 8.5778 122.2232 55.3275 32.9448 174.1414 9 V 4.5748 8.7980 126.0714 61.6766 32.5258 173.5302 10 Y 5.3427 8.3991 127.3444 55.7143 41.7129 173.9609 11 S 5.1318 9.0180 113.5632 56.9878 65.5685 174.9684 12 R 4.2315 9.1232 123.9996 59.0102 30.3605 176.3541 13 H 5.0908 8.5235 114.1682 52.7136 32.5282 171.3690 14 P 4.3451 0.0000 0.0000 62.0463 31.4689 174.7860 15 P 4.3709 0.0000 0.0000 63.4860 31.5780 175.7817 16 E 4.4409 8.5946 121.0251 54.6429 32.5361 174.0965 17 N 4.5914 8.9038 122.0571 55.9743 38.7933 174.0416 18 G 3.9451 8.8310 114.0621 45.9461 0.0000 173.9610 *19 K 4.2325 7.9007 121.4899 52.6170 31.3676 178.5390 20 P 4.6838 0.0000 0.0000 61.3022 32.3145 175.1427 21 N 4.2861 8.1448 115.8339 53.6989 43.9306 172.5668 22 I 5.1289 7.8751 117.3176 59.6147 41.7607 174.1862 23 L 4.6193 8.6467 128.0741 53.3029 44.1037 174.6416 24 N 5.1568 8.4493 124.3596 51.0271 41.0540 174.5283 25 C 5.6429 8.2281 122.2981 54.5085 42.0071 173.2999 26 Y 4.5128 8.1938 120.5526 58.3928 39.7073 175.1144 27 V 4.3154 8.4530 127.1772 61.8346 34.0081 174.8965 28 T 4.6510 7.7242 119.7919 62.4463 70.9592 173.6852 29 Q 3.7578 8.8048 119.5916 56.6987 26.5279 173.4120 30 F 5.3959 8.2031 111.9155 55.6048 41.2112 173.5638 31 H 4.7528 8.8993 119.9098 53.9133 33.7273 171.0757 32 P 3.9126 0.0000 0.0000 61.1963 32.7115 175.0784 33 P 3.2085 0.0000 0.0000 63.9799 30.9527 176.1461 34 H 4.5070 7.1441 117.0009 55.4827 29.6616 174.1205 35 I 4.4753 7.5093 120.0250 60.7742 41.0305 172.8682 36 E 4.7549 8.9168 125.3417 54.6242 33.1683 174.7299 37 I 4.9163 8.5093 124.7674 59.4152 40.1279 174.5800 38 Q 4.5363 9.2702 128.5340 54.4512 32.1202 173.8184 39 M 4.7214 8.5810 125.9461 54.0619 33.8842 174.6964 40 L 5.0222 8.6102 124.5426 52.8605 44.6116 175.8016 41 K 4.1504 8.5576 124.9659 54.3402 33.6107 175.4744 42 N 4.0435 9.3092 128.1561 54.2716 35.8716 174.9044 43 G 4.3382 8.3066 110.8117 45.8381 0.0000 174.3341 44 K 4.1862 7.5632 120.5122 56.0727 32.9266 176.9736 *45 K 4.4958 8.1661 121.6272 54.0189 32.6171 177.1140 46 I 4.2321 8.3821 122.2989 59.5811 36.7895 173.9659 47 P 3.9542 0.0000 0.0000 67.4797 32.2029 178.2114 *48 K 4.3856 7.5419 121.8390 54.4026 30.4559 182.2829 49 V 3.9208 7.1398 122.3137 63.0080 29.4301 173.2771 50 E 4.0231 8.0900 121.1270 56.6351 30.4745 176.0647 51 M 4.9639 8.2809 123.8185 54.1015 35.2971 175.1610 52 S 4.5658 9.2611 115.2296 57.8465 68.1291 174.4513 53 D 4.8567 8.8875 117.1149 55.0209 37.3090 178.1824 54 M 3.4922 10.2940 118.2628 56.9683 29.8142 175.8317 55 S 4.4609 8.1636 118.1701 57.7936 66.9263 173.3424 56 F 5.1004 7.7755 117.9552 57.3737 40.3495 174.4519 *57 S 4.5768 8.8788 119.0495 56.5608 63.5805 176.0658 58 K 3.6511 8.5465 118.6279 61.0412 31.8262 176.7798 59 D 4.4898 7.8899 116.8207 53.1762 39.5739 178.6047 60 W 4.0438 7.5842 123.5009 58.2233 29.0908 174.2548 61 S 4.1633 8.1730 113.0194 58.2646 61.7086 174.2197 62 F 4.8194 8.5279 123.2618 58.2458 40.2677 173.7509 63 Y 5.5642 8.7518 116.0508 57.0954 41.4595 173.0955 64 I 4.7653 8.5151 119.4778 60.6763 42.6367 172.6756 65 L 5.1533 8.9790 126.9688 53.6348 45.5085 175.0549 66 A 4.9604 8.5747 127.6471 51.3292 21.7712 175.8619 67 H 5.3918 8.9973 113.2106 56.5303 30.9580 173.0790 68 T 4.6391 8.0975 118.6133 59.7959 70.1000 173.1224 69 E 4.7549 8.7338 127.5112 56.8061 30.5493 176.1479 70 F 4.8971 9.0574 118.0043 56.9423 41.8800 172.6277 71 T 4.2200 7.8233 113.6231 62.1272 72.9367 172.4436 72 P 5.0656 0.0000 0.0000 62.9199 33.4368 174.9535 73 T 4.8457 8.3082 118.7187 63.6997 72.4443 174.8361 *74 E 4.1205 8.8793 118.7257 59.4359 29.4529 176.6618 75 T 4.0668 7.7140 109.2395 63.3627 69.5240 173.6613 76 D 4.4866 7.7394 127.3428 52.8469 40.8113 176.6040 77 T 4.7437 9.5747 122.6302 62.6959 70.2509 173.8163 78 Y 5.1395 9.0602 123.1021 56.4432 41.6241 174.4602 79 A 4.8184 8.6510 123.1626 51.1761 23.9644 174.2979 80 C 5.0234 9.4632 119.0640 55.0515 43.6937 172.7840 81 R 4.7646 8.8847 128.6249 55.4392 31.3551 175.0049 82 V 4.8641 8.9286 127.1911 61.0518 34.2373 174.0962 83 K 4.9292 9.1088 128.0002 55.0047 34.2674 174.8779 84 H 5.1641 8.6456 123.2310 54.4701 33.5030 173.6726 85 A 3.8817 8.4677 126.0309 55.4068 18.4376 179.4831 86 S 4.5133 8.1673 109.4021 59.7668 62.9659 173.9490 87 M 4.8775 7.4746 116.8850 53.0908 33.1999 175.9471 88 A 4.2180 8.5036 123.0179 54.3512 19.1038 177.5833 89 E 4.6671 7.6835 111.7898 53.7200 32.3872 173.0070 90 P 4.3395 0.0000 0.0000 63.1499 31.4152 175.6058 91 K 4.2483 8.5960 125.7117 56.0849 33.3366 175.2190 92 T 4.7895 8.5149 121.9244 60.3100 69.4628 173.4000 93 V 4.5013 8.1702 127.8271 61.3610 34.2235 174.5494 94 Y 4.7243 8.8784 125.2942 57.1239 39.2963 174.7354 95 W 4.7756 9.4275 132.4581 57.2486 31.7216 175.8037 96 D 4.2991 8.6311 125.6189 52.3927 41.7537 175.0921 97 R 3.7104 7.5902 124.8132 59.0091 30.2679 176.9583 98 D 4.4117 7.7107 124.6461 55.1465 40.3051 176.8677 99 M 4.3520 8.1345 122.4068 55.4573 33.1142 175.4927 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 8.30 4.36 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 Q 8.14 4.29 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 *3 K 9.28 4.49 0.00 1.60 1.66 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.28 7.81 4 T 8.65 5.08 4.30 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 1.27 0.00 0.00 5 P 0.00 5.14 0.00 1.81 1.77 0.00 3.44 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 *6 Q 8.52 4.47 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.08 0.00 0.00 0.00 0.00 0.00 2.30 1.94 0.00 7 I 8.04 3.93 1.87 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 1.24 0.88 0.90 0.00 0.00 8 Q 8.58 4.44 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 9 V 8.80 4.57 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 0.97 0.00 0.00 10 Y 8.40 5.34 0.00 3.17 3.10 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 11 S 9.02 5.13 0.00 4.15 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 12 R 9.12 4.23 0.00 1.74 1.92 0.00 3.16 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 13 H 8.52 5.09 0.00 3.21 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.35 0.00 2.08 2.07 0.00 3.74 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 2.06 2.14 0.00 15 P 0.00 4.37 0.00 2.31 2.58 0.00 3.87 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 16 E 8.59 4.44 0.00 1.99 1.85 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 2.31 2.54 0.00 17 N 8.90 4.59 0.00 2.72 2.84 0.00 0.00 7.46 7.65 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 18 G 8.83 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 0.00 0.00 0.00 *19 K 7.90 4.23 0.00 1.75 1.64 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.28 7.81 20 P 0.00 4.68 0.00 1.95 1.97 0.00 3.68 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 21 N 8.14 4.29 0.00 2.22 2.09 0.00 0.00 7.34 7.79 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 22 I 7.88 5.13 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.88 0.00 0.00 23 L 8.65 4.62 0.00 0.72 0.97 0.13 -0.04 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 24 N 8.45 5.16 0.00 1.44 2.18 0.00 0.00 5.96 7.20 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 25 C 8.23 5.64 0.00 2.82 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 26 Y 8.19 4.51 0.00 3.27 3.28 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 27 V 8.45 4.32 1.68 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 0.08 0.00 0.00 0.85 0.00 0.00 28 T 7.72 4.65 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 29 Q 8.80 3.76 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 30 F 8.20 5.40 0.00 2.72 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 31 H 8.90 4.75 0.00 3.29 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.58 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 3.91 0.00 1.90 1.90 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 33 P 0.00 3.21 0.00 1.48 0.49 0.00 3.27 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 34 H 7.14 4.51 0.00 3.04 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.51 4.48 2.55 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 1.13 0.00 0.00 36 E 8.92 4.75 0.00 1.91 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 0.00 2.22 2.28 0.00 37 I 8.51 4.92 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.85 0.00 0.00 38 Q 9.27 4.54 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 39 M 8.58 4.72 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 40 L 8.61 5.02 0.00 1.43 1.58 0.81 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.56 4.15 0.00 1.40 1.54 0.00 2.00 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.03 0.38 7.81 42 N 9.31 4.04 0.00 2.78 2.87 0.00 0.00 7.07 7.65 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 43 G 8.31 4.34 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 0.00 44 K 7.56 4.19 0.00 1.79 1.71 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.41 7.81 *45 K 8.17 4.50 0.00 1.77 1.59 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.02 7.81 46 I 8.38 4.23 1.91 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 1.30 1.07 0.93 0.00 0.00 47 P 0.00 3.95 0.00 2.03 2.04 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 *48 K 7.54 4.39 0.00 1.77 1.65 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 0.99 7.81 49 V 7.14 3.92 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 0.90 0.00 0.00 1.02 0.00 0.00 50 E 8.09 4.02 0.00 2.07 1.75 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 2.37 2.43 0.00 51 M 8.28 4.96 0.00 1.87 1.93 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 2.60 2.50 0.00 52 S 9.26 4.57 0.00 3.83 3.79 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 0.00 0.00 0.00 53 D 8.89 4.86 0.00 2.94 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 54 M 10.29 3.49 0.00 2.10 2.45 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 2.50 2.59 0.00 55 S 8.16 4.46 0.00 3.18 3.47 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 56 F 7.78 5.10 0.00 3.03 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 0.00 0.00 0.00 *57 S 8.88 4.58 0.00 3.69 3.81 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 58 K 8.55 3.65 0.00 1.57 1.74 0.00 1.46 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.26 7.81 59 D 7.89 4.49 0.00 2.90 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 60 W 7.58 4.04 0.00 3.48 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 61 S 8.17 4.16 0.00 4.16 4.31 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 62 F 8.53 4.82 0.00 2.84 2.79 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 0.00 0.00 0.00 63 Y 8.75 5.56 0.00 3.13 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 64 I 8.52 4.77 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.17 0.99 0.00 0.00 65 L 8.98 5.15 0.00 2.12 1.67 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.57 4.96 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 67 H 9.00 5.39 0.00 3.05 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.10 4.64 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 69 E 8.73 4.75 0.00 1.91 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 2.33 2.32 0.00 70 F 9.06 4.90 0.00 2.82 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 71 T 7.82 4.22 4.17 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 1.16 0.00 0.00 72 P 0.00 5.07 0.00 2.18 2.43 0.00 3.46 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 2.17 1.83 0.00 73 T 8.31 4.85 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 1.28 0.00 0.00 *74 E 8.88 4.12 0.00 1.99 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 2.23 1.86 0.00 75 T 7.71 4.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 76 D 7.74 4.49 0.00 3.12 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 77 T 9.57 4.74 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 78 Y 9.06 5.14 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.82 0.54 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 80 C 9.46 5.02 0.00 2.80 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 81 R 8.88 4.76 0.00 1.83 1.72 0.00 3.07 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 82 V 8.93 4.86 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 0.83 0.00 0.00 0.83 0.00 0.00 83 K 9.11 4.93 0.00 1.70 1.69 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.34 7.81 84 H 8.65 5.16 0.00 3.22 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.47 3.88 1.11 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 0.00 0.00 86 S 8.17 4.51 0.00 4.11 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 0.00 87 M 7.47 4.88 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 88 A 8.50 4.22 1.31 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 0.00 0.00 89 E 7.68 4.67 0.00 2.04 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 2.19 2.25 0.00 90 P 0.00 4.34 0.00 2.19 2.14 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 91 K 8.60 4.25 0.00 1.92 1.72 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.41 7.81 92 T 8.51 4.79 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 1.28 0.00 0.00 93 V 8.17 4.50 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 1.01 0.00 0.00 0.96 0.00 0.00 94 Y 8.88 4.72 0.00 2.94 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 95 W 9.43 4.78 0.00 3.25 3.28 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 96 D 8.63 4.30 0.00 2.59 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 97 R 7.59 3.71 0.00 1.63 1.71 0.00 3.06 0.00 0.00 2.88 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 98 D 7.71 4.41 0.00 2.59 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 99 M 8.13 4.35 0.00 1.94 1.97 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 2.72 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.