NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0659 8.3393 109.7358 45.1542 0.0000 173.3168 4 D 4.8424 7.6063 124.3268 51.7954 37.5852 177.7898 5 T 4.6946 8.8497 112.0414 61.0856 71.9619 171.8442 6 T 4.9973 8.4881 117.7334 60.1240 71.9591 172.4970 7 I 4.6694 8.9762 124.5993 59.7808 42.2908 174.0672 8 T 5.4407 8.1314 119.3240 63.2342 71.9082 173.5560 9 I 4.5575 8.5369 127.4849 59.3153 40.4026 174.7574 10 V 4.6708 8.1294 125.7094 61.3529 33.9807 174.7936 11 G 4.4882 7.9614 112.9591 46.8050 0.0000 170.9844 12 N 6.0641 7.8819 116.0579 50.7811 41.2759 174.9651 13 L 4.2971 8.3540 122.6676 55.0710 42.4271 177.3401 14 T 4.0106 9.0507 115.7794 64.5736 68.6210 173.7863 15 A 4.8191 7.5922 122.0477 49.2779 22.4182 174.6742 16 D 4.5669 8.4943 117.3914 53.4837 41.4484 174.9335 17 P 4.7072 0.0000 0.0000 63.2160 32.2865 175.3240 18 E 4.3455 9.0805 122.6282 55.5392 31.1294 175.1712 19 L 4.8053 8.7615 129.5665 53.9899 42.5163 176.0106 20 R 4.8298 8.3610 125.0818 54.9770 32.6470 173.5043 21 F 5.3036 8.8363 116.1877 56.8994 42.1789 175.2157 22 T 4.7923 9.3276 112.6322 59.2933 70.6931 173.8988 23 P 4.4452 0.0000 0.0000 65.9541 31.0825 176.7458 24 S 4.5070 8.2268 112.1898 57.9886 62.9244 175.0992 25 G 3.9750 8.5858 107.6315 46.5294 0.0000 174.4514 26 A 4.3927 7.9641 122.4245 51.8356 19.6181 176.6717 27 A 4.0007 8.4805 122.9482 50.4881 21.6435 176.5513 28 V 3.8834 7.8246 120.2740 61.1238 35.1211 173.5835 29 A 4.9119 8.3366 130.4193 50.5482 21.0645 175.0302 30 N 5.0051 9.3860 121.9741 51.6999 41.5825 173.2598 31 F 5.4590 7.6416 120.4755 55.6334 42.6033 173.4912 32 T 4.9026 8.4099 112.5270 60.9563 69.8634 173.2072 33 V 4.4655 8.9053 129.5405 62.7044 33.5183 174.6097 34 A 5.4957 8.5411 125.8120 49.1267 21.9612 174.9442 35 S 4.9974 8.4212 116.9533 56.0887 65.7433 172.6263 36 T 4.6683 8.1109 124.4721 62.0125 68.9419 175.4510 37 P 4.3163 0.0000 0.0000 64.2520 30.2191 174.6715 38 R 4.1425 8.7399 125.3265 57.9808 28.0022 178.2057 *51 E 3.9904 7.9015 111.8199 56.1318 31.1173 175.7447 52 A 3.6835 8.3856 129.8009 49.8830 18.3714 176.5252 53 L 4.0423 6.7373 115.4499 54.5876 45.2035 173.2990 54 F 5.1401 9.0673 126.4314 55.9835 40.7456 175.2397 55 L 4.7748 8.8698 125.3708 52.6413 44.1489 176.6080 56 R 4.5846 8.6588 123.6293 56.4560 31.6446 175.5212 57 C 5.2850 9.4089 120.5244 57.9341 32.5382 172.7425 58 N 5.0733 9.1492 119.2596 51.3656 42.1569 173.3727 59 I 4.9435 7.9550 121.4489 59.3320 41.6706 174.5621 60 W 4.7493 9.0965 130.7837 55.6553 31.4134 177.4249 61 R 3.9235 8.7756 119.1516 57.6631 26.7754 175.0959 62 E 4.1023 8.8079 110.9067 62.9352 29.7613 175.0565 63 A 4.0873 8.2405 120.9984 55.3598 17.7608 179.4191 64 A 3.8595 7.7310 118.1169 55.4336 18.3718 179.7967 65 E 3.9248 7.9197 116.5611 59.3316 29.6833 179.0253 66 N 4.2908 9.0818 117.6374 56.4766 38.7543 177.6607 67 V 3.8219 8.6969 119.8680 65.2725 31.2599 177.5012 68 A 4.1559 7.3715 118.9378 54.4528 18.7124 178.5430 69 E 4.2606 8.1838 115.5647 57.4691 29.9803 177.4236 70 S 4.5194 8.3570 114.2812 59.4331 64.3351 174.5563 71 L 4.5486 7.3491 118.2599 53.3405 42.9005 175.6792 72 T 4.7076 7.8362 110.9487 59.3440 71.9248 173.3889 73 R 4.2860 8.4190 117.2324 56.8837 30.0751 178.3607 74 G 3.8755 9.2812 105.8655 46.2843 0.0000 174.3061 75 A 4.0178 7.8245 122.8537 52.2784 19.5750 176.7672 76 R 4.6279 8.6217 123.4192 55.7498 31.3726 175.6485 77 V 4.9390 9.1405 119.4234 59.5522 36.6626 174.5672 78 I 4.8621 8.3616 122.2017 59.7171 39.8371 175.2741 79 V 4.8799 9.1244 127.0595 61.3635 35.1623 174.7492 80 S 4.7854 8.5254 119.7165 57.9497 65.6103 172.9305 81 G 4.9619 8.4526 114.5092 47.1080 0.0000 170.9224 82 R 5.2453 8.3391 117.5707 53.4365 33.2561 175.7220 83 L 4.7380 8.6579 125.4315 55.1027 42.4294 176.9346 84 K 4.6460 9.2565 128.3581 53.2317 34.9153 171.4178 85 Q 4.5918 8.7989 129.1152 55.4797 29.8798 176.8168 86 R 4.4301 9.4240 127.2827 55.7992 32.1154 173.5385 87 S 4.5378 8.2921 105.9400 59.0170 62.0093 172.3019 *97 T 4.4485 7.0518 109.7607 62.5708 69.9082 173.3658 98 V 4.6406 7.8284 112.1729 60.5922 36.8305 173.9792 99 I 4.8550 8.3067 121.7578 59.8616 39.7827 174.9969 100 E 4.8548 9.5694 125.7848 54.4768 34.2881 174.3972 101 V 4.8032 8.4561 119.4629 61.3521 34.7116 174.0930 102 E 4.9174 8.9430 129.2921 54.5910 30.6332 175.1436 103 V 4.0400 8.8099 129.2741 63.4233 31.3990 175.2024 104 D 4.8032 9.1189 128.9514 55.8599 42.2459 176.6655 105 E 5.0153 7.8122 115.7801 54.9139 34.3181 174.5447 106 I 4.7744 7.7068 119.1567 61.3552 41.1032 173.3015 107 G 4.3231 8.2732 114.8106 44.4261 0.0000 169.4657 108 P 4.9955 0.0000 0.0000 61.7012 32.6174 175.7840 109 S 4.1397 9.2738 119.8478 58.1417 63.0872 174.4668 110 L 4.4404 8.5362 125.7325 55.1341 41.4435 178.9498 111 R 3.7038 7.3801 119.8234 59.3867 29.8122 177.1496 112 Y 4.7871 7.5847 111.3793 57.3327 38.7525 174.7096 113 A 4.6896 7.6042 121.9991 51.3488 22.6279 174.9832 114 T 4.8476 8.1571 108.4104 60.2555 72.4690 174.4862 115 A 4.5723 8.0082 124.0068 52.0329 17.8998 179.6721 116 K 4.2261 10.5510 119.2442 59.3926 33.6206 172.9659 117 V 4.3298 8.6196 127.9342 61.0938 36.7618 174.4023 118 N 4.6665 9.3318 117.0529 52.2102 37.2922 176.4435 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 3 G 8.34 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 0.00 0.00 0.00 4 D 7.61 4.84 0.00 2.85 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 0.00 0.00 0.00 5 T 8.85 4.69 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 1.21 0.00 0.00 6 T 8.49 5.00 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 7 I 8.98 4.67 1.88 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 1.24 1.47 1.00 0.00 0.00 8 T 8.13 5.44 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 1.29 0.00 0.00 9 I 8.54 4.56 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 1.24 0.88 0.92 0.00 0.00 10 V 8.13 4.67 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 0.84 0.00 0.00 0.92 0.00 0.00 11 G 7.96 4.49 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 12 N 7.88 6.06 0.00 2.67 2.79 0.00 0.00 7.64 6.74 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 13 L 8.35 4.30 0.00 1.71 1.80 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.05 4.01 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 1.49 0.00 0.00 15 A 7.59 4.82 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 16 D 8.49 4.57 0.00 2.69 2.61 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 17 P 0.00 4.71 0.00 2.21 2.22 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 18 E 9.08 4.35 0.00 1.92 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 2.29 2.26 0.00 19 L 8.76 4.81 0.00 1.59 1.58 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.36 4.83 0.00 1.54 1.77 0.00 3.27 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 21 F 8.84 5.30 0.00 2.82 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 22 T 9.33 4.79 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 1.43 0.00 0.00 23 P 0.00 4.45 0.00 2.24 2.30 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 24 S 8.23 4.51 0.00 4.05 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 25 G 8.59 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 26 A 7.96 4.39 1.50 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 0.00 0.00 27 A 8.48 4.00 0.71 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 0.00 0.00 28 V 7.82 3.88 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 0.07 0.00 0.00 29 A 8.34 4.91 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 30 N 9.39 5.01 0.00 2.58 2.55 0.00 0.00 6.36 8.36 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 31 F 7.64 5.46 0.00 3.11 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 32 T 8.41 4.90 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 1.29 0.00 0.00 33 V 8.91 4.47 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.10 0.00 0.00 34 A 8.54 5.50 1.13 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 35 S 8.42 5.00 0.00 3.83 3.60 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 36 T 8.11 4.67 4.21 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 1.23 0.00 0.00 37 P 0.00 4.32 0.00 2.27 1.96 0.00 3.87 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 1.82 1.57 0.00 38 R 8.74 4.14 0.00 1.99 1.96 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 *51 E 7.90 3.99 0.00 2.01 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 0.00 2.13 1.89 0.00 52 A 8.39 3.68 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 53 L 6.74 4.04 0.00 1.53 1.46 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.07 5.14 0.00 2.96 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 55 L 8.87 4.77 0.00 1.58 1.59 0.94 0.69 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 56 R 8.66 4.58 0.00 1.80 1.81 0.00 3.15 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 57 C 9.41 5.28 0.00 1.80 2.46 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 58 N 9.15 5.07 0.00 2.91 2.39 0.00 0.00 6.35 7.38 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 59 I 7.95 4.94 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.80 1.06 0.00 0.00 60 W 9.10 4.75 0.00 3.33 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.78 3.92 0.00 1.91 1.90 0.00 3.25 0.00 0.00 3.37 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 62 E 8.81 4.10 0.00 1.97 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 2.31 1.94 0.00 63 A 8.24 4.09 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 64 A 7.73 3.86 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 65 E 7.92 3.92 0.00 2.18 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 2.34 2.33 0.00 66 N 9.08 4.29 0.00 2.75 2.86 0.00 0.00 6.65 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 67 V 8.70 3.82 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 0.79 0.00 0.00 0.89 0.00 0.00 68 A 7.37 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.18 4.26 0.00 2.16 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 0.00 2.31 2.35 0.00 70 S 8.36 4.52 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.35 4.55 0.00 1.45 1.44 0.63 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.84 4.71 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 1.20 0.00 0.00 73 R 8.42 4.29 0.00 2.21 2.12 0.00 3.09 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 74 G 9.28 3.88 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 0.00 0.00 0.00 75 A 7.82 4.02 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 76 R 8.62 4.63 0.00 2.13 1.87 0.00 3.29 0.00 0.00 3.50 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 77 V 9.14 4.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 78 I 8.36 4.86 1.86 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 1.09 1.17 0.90 0.00 0.00 79 V 9.12 4.88 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 1.05 0.00 0.00 1.06 0.00 0.00 80 S 8.53 4.79 0.00 3.92 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.45 4.96 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 82 R 8.34 5.25 0.00 1.76 1.91 0.00 3.40 0.00 0.00 3.29 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 83 L 8.66 4.74 0.00 1.54 1.63 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.26 4.65 0.00 1.36 1.64 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.21 7.81 85 Q 8.80 4.59 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 86 R 9.42 4.43 0.00 1.88 1.75 0.00 3.30 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 1.56 1.43 0.00 87 S 8.29 4.54 0.00 3.99 4.05 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 *97 T 7.05 4.45 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 98 V 7.83 4.64 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 0.82 0.00 0.00 0.94 0.00 0.00 99 I 8.31 4.85 1.88 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 1.35 0.62 0.92 0.00 0.00 100 E 9.57 4.85 0.00 1.85 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 2.21 2.22 0.00 101 V 8.46 4.80 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 0.92 0.00 0.00 0.95 0.00 0.00 102 E 8.94 4.92 0.00 2.17 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 2.24 2.39 0.00 103 V 8.81 4.04 2.32 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 1.00 0.00 0.00 1.13 0.00 0.00 104 D 9.12 4.80 0.00 2.87 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 0.00 105 E 7.81 5.02 0.00 1.84 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 2.31 2.25 0.00 106 I 7.71 4.77 1.94 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 1.05 1.41 0.94 0.00 0.00 107 G 8.27 4.32 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 0.00 108 P 0.00 5.00 0.00 2.04 2.03 0.00 3.49 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 1.94 2.03 0.00 109 S 9.27 4.14 0.00 3.85 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 0.00 110 L 8.54 4.44 0.00 1.70 1.64 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.38 3.70 0.00 1.40 1.49 0.00 2.68 0.00 0.00 2.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 112 Y 7.58 4.79 0.00 2.96 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 0.00 113 A 7.60 4.69 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 0.00 114 T 8.16 4.85 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 1.21 0.00 0.00 115 A 8.01 4.57 1.02 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 0.00 0.00 116 K 10.55 4.23 0.00 1.80 2.13 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.36 7.81 117 V 8.62 4.33 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 0.68 0.00 0.00 0.93 0.00 0.00 118 N 9.33 4.67 0.00 2.95 2.77 0.00 0.00 6.43 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.