NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 F 4.4756 8.1714 119.0068 57.2662 38.5599 174.2865 5 G 3.8679 9.2369 114.2831 44.5844 0.0000 170.0865 6 G 3.9600 7.9575 109.8282 44.4203 0.0000 170.0476 7 Y 4.5224 8.4553 117.3941 57.5970 38.9165 175.2757 8 S 4.6810 8.6577 119.8476 56.6566 64.1457 173.5620 9 E 4.7752 8.7728 128.2785 55.5572 30.5587 176.3244 10 R 4.4070 7.9352 123.1000 55.5075 31.3600 177.2393 *13 H 5.0568 8.8917 118.5674 56.4869 30.2423 174.7296 14 Q 4.0835 7.6664 116.4231 58.0620 28.9595 176.7074 15 A 4.0398 7.8793 119.8462 53.4974 18.6260 177.0220 16 N 4.4996 7.9950 115.1677 52.0816 39.6600 173.4817 17 P 4.2453 0.0000 0.0000 65.6240 31.4631 178.2255 18 E 3.8693 7.9704 117.6994 59.2155 29.4780 178.7419 19 F 4.6468 8.2441 117.9923 60.2274 39.0213 177.5592 20 L 4.0262 7.8027 119.6540 58.3433 41.9343 178.8503 21 N 4.4767 8.4769 116.5321 56.1726 38.4392 177.1475 22 L 4.1813 7.9375 121.3435 57.8318 42.1422 178.8149 23 A 4.0615 8.2871 121.1600 55.2068 18.2220 179.4339 24 H 4.1057 8.3545 114.7705 59.1759 28.8876 177.0302 25 Y 4.1583 8.1235 121.1469 60.9170 38.5489 178.3184 26 A 3.7998 8.2063 121.1771 55.4471 18.6617 179.7836 27 T 3.9633 8.1051 114.5548 66.7055 68.5686 177.1664 28 S 4.2518 8.4416 116.5296 61.9416 62.8514 176.4505 29 T 3.8033 7.4100 118.5776 66.1437 68.4362 175.9530 30 W 4.2352 8.4291 130.5187 60.1303 30.7739 177.8889 31 S 3.4245 8.6012 113.6206 61.4957 61.9586 176.4633 32 A 3.7780 7.5948 122.8116 55.0678 18.2829 179.0404 33 Q 4.0051 7.6511 113.2737 56.2346 28.9394 176.5391 34 Q 3.9655 7.2056 121.2579 54.2771 29.6032 173.9178 35 P 4.4261 0.0000 0.0000 63.5013 32.4329 175.7578 36 G 4.2650 8.7562 110.8018 45.8569 0.0000 174.8910 37 K 4.0132 7.0521 115.9018 56.6190 32.3782 176.7437 38 T 4.2998 8.4816 112.5845 61.8776 70.6655 173.9985 39 H 4.7951 7.7671 117.1274 53.3501 31.4874 173.9069 40 F 4.3711 8.3953 119.7893 57.6028 39.5111 175.2098 41 D 4.8624 8.6211 123.7678 53.7723 41.9282 175.6897 42 T 4.6995 8.0257 114.9769 60.3431 70.8305 172.5775 43 V 3.9850 8.2835 121.8882 61.8254 32.1775 175.1244 44 A 4.3543 8.6398 130.1955 53.9638 19.5451 176.9536 45 E 4.5323 7.5365 112.7848 55.1250 32.5086 174.5471 46 V 3.8388 8.3925 126.4559 62.5334 31.7431 175.5035 47 V 3.9262 8.4073 127.4042 64.5326 31.9756 175.6631 48 K 4.3639 7.4752 117.9580 54.3536 35.1551 175.2752 49 V 4.1283 7.9253 122.7593 61.2178 34.5527 173.6541 50 E 4.9681 8.6405 127.7602 54.8586 31.9627 176.1713 51 T 4.5355 8.3088 115.2603 60.8296 71.9300 173.7242 52 Q 4.2087 8.0633 117.5128 55.2871 30.9796 173.6628 53 V 3.6199 8.6155 127.3921 62.8351 32.2085 175.3381 54 V 4.2744 8.3213 125.4436 60.9685 33.3251 174.2902 55 A 4.7460 8.5877 128.7012 49.9433 22.1776 175.3018 56 G 4.0722 8.0265 107.0646 46.9855 0.0000 171.7122 57 T 4.6619 7.3075 115.3524 61.8634 72.7710 173.1773 58 N 5.0488 8.7501 123.7778 52.6019 39.9947 174.2768 59 Y 4.5050 8.9399 122.7594 56.2415 39.6431 174.6401 60 R 4.6433 8.5175 125.4797 55.5904 31.2146 175.3559 61 L 4.8309 9.7746 126.8927 53.1888 45.1348 175.4098 62 T 4.8502 8.5039 119.6455 61.9555 70.3210 173.6766 63 L 4.9014 9.2236 125.7147 52.8411 46.7262 175.6829 64 K 4.9371 8.6242 119.5858 55.1133 33.5258 176.0165 65 V 4.5623 9.0291 125.8939 61.3305 33.9571 174.4386 66 A 4.9673 8.3307 126.7558 50.1016 22.3969 175.5523 67 E 4.0249 9.0641 122.4756 56.9841 30.7926 177.1180 68 S 5.6086 8.7664 120.7700 56.3566 65.2766 173.7767 69 T 4.1392 8.2411 109.0339 63.4377 69.0733 175.5952 70 C 4.6366 7.4693 118.9257 56.0504 41.2452 173.2612 71 E 4.4639 7.8101 122.4643 55.6306 30.1836 177.2903 72 L 4.1329 8.5299 121.9552 58.2507 41.8809 179.7016 73 T 4.0261 7.9317 103.8248 62.4035 68.1419 173.1686 74 S 4.6494 8.1484 116.0386 56.8519 66.2422 173.6797 75 T 4.0738 8.3238 117.6255 63.1499 68.0529 174.3934 76 Y 4.0801 8.4724 128.2869 57.5462 39.6418 174.8646 77 N 4.6589 7.3256 124.0157 51.6189 41.5709 174.7369 78 K 3.4122 8.8086 125.7718 60.0758 32.3877 177.4658 79 D 4.5297 8.0603 116.7237 55.4580 41.4469 176.9574 80 T 4.2831 7.4835 114.3547 64.9269 70.0537 176.0186 81 C 4.4814 8.0913 120.9243 55.5985 32.9782 173.2801 82 L 4.4052 7.5096 123.8950 52.7975 42.7145 174.6568 83 P 4.6542 0.0000 0.0000 62.1666 32.0781 176.5536 84 K 3.9171 8.9531 122.7497 56.4526 32.5085 177.3699 85 A 3.9856 8.8803 127.6864 55.1450 18.1628 177.7314 86 D 4.6735 7.8911 110.7406 52.8771 40.2407 176.3798 87 A 4.0528 7.8179 124.2386 51.9215 18.8541 177.3851 88 A 4.1360 8.4659 125.1456 52.4318 19.0355 176.8061 89 H 5.1280 8.6483 119.1346 55.2627 30.4646 175.0254 90 R 4.6972 8.8901 119.6699 54.8517 34.0715 175.1853 91 T 4.9589 8.5381 119.1657 62.9345 69.1245 174.2978 92 C 5.4113 8.9621 124.0966 55.3474 42.0992 173.2160 93 T 5.1257 8.1423 117.1347 62.4210 71.5357 173.0768 94 T 4.5838 8.4268 117.1878 61.1205 71.5431 172.0224 95 V 4.6581 8.8398 127.3044 61.1086 34.3913 174.5525 96 V 5.4656 8.7193 127.1269 60.2427 34.0692 174.0754 97 F 5.1742 8.8929 130.7820 57.6417 41.4651 173.9235 98 E 4.8773 7.4395 124.7810 54.3953 31.4571 175.2806 99 N 5.2315 8.2754 124.3765 51.3144 38.8800 175.6065 100 L 4.0258 8.2603 116.8693 57.1436 41.8341 178.5015 101 Q 4.1283 7.4638 116.8579 56.8661 29.0277 176.2773 102 G 3.9076 8.7149 105.7747 45.5360 0.0000 174.0908 103 D 4.4797 8.3906 121.0537 54.7169 41.5861 175.9298 104 K 5.3526 8.7143 122.2567 54.6534 35.8309 175.5002 105 S 4.7808 8.9860 115.1648 56.8202 66.7078 172.9606 106 V 5.0141 8.3944 122.3451 61.0247 33.2069 175.3651 107 S 4.5143 8.8903 123.0984 57.1825 64.1904 172.4783 108 P 4.2739 0.0000 0.0000 62.8549 31.3085 176.0161 109 F 4.0783 9.2885 122.2829 58.5830 39.6422 175.1238 110 E 4.4044 9.2684 127.0016 55.1417 29.7953 174.9453 111 C 5.2448 8.4591 124.7848 55.9356 42.7740 171.7680 112 E 4.5880 7.9013 120.0148 54.5564 30.8645 175.6145 113 A 4.0763 9.3032 129.5914 55.8674 18.5490 176.8419 114 A 4.1865 7.7650 120.9575 52.2622 18.3508 177.1029 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 *4 F 8.17 4.48 0.00 2.22 2.30 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 5 G 9.24 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 6 G 7.96 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 7 Y 8.46 4.52 0.00 2.88 2.86 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 8 S 8.66 4.68 0.00 3.96 3.76 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 9 E 8.77 4.78 0.00 2.01 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 2.25 2.28 0.00 10 R 7.94 4.41 0.00 1.87 1.57 0.00 3.59 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 *13 H 8.89 5.06 0.00 3.31 3.67 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.67 4.08 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.11 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 15 A 7.88 4.04 1.30 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 0.00 0.00 16 N 7.99 4.50 0.00 2.68 2.71 0.00 0.00 7.22 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 17 P 0.00 4.25 0.00 2.13 2.05 0.00 3.54 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 18 E 7.97 3.87 0.00 1.88 1.66 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 0.00 2.27 2.42 0.00 19 F 8.24 4.65 0.00 3.15 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 20 L 7.80 4.03 0.00 1.83 1.90 0.96 0.60 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 21 N 8.48 4.48 0.00 3.05 2.89 0.00 0.00 6.69 6.26 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 22 L 7.94 4.18 0.00 2.15 1.78 0.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.29 4.06 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 24 H 8.35 4.11 0.00 3.27 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.12 4.16 0.00 3.13 3.22 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 26 A 8.21 3.80 1.42 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 27 T 8.11 3.96 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 1.38 0.00 0.00 28 S 8.44 4.25 0.00 3.85 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 29 T 7.41 3.80 4.06 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 1.08 0.00 0.00 30 W 8.43 4.24 0.00 3.42 3.25 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 31 S 8.60 3.42 0.00 4.09 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 32 A 7.59 3.78 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.65 4.01 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 34 Q 7.21 3.97 0.00 1.80 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.96 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 35 P 0.00 4.43 0.00 2.11 1.97 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 36 G 8.76 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 37 K 7.05 4.01 0.00 1.77 1.61 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 38 T 8.48 4.30 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 1.17 0.00 0.00 39 H 7.77 4.80 0.00 3.08 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.40 4.37 0.00 3.10 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 41 D 8.62 4.86 0.00 2.88 2.75 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 42 T 8.03 4.70 4.33 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 1.27 0.00 0.00 43 V 8.28 3.98 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 0.82 0.00 0.00 0.71 0.00 0.00 44 A 8.64 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.54 4.53 0.00 1.90 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 2.21 2.29 0.00 46 V 8.39 3.84 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 0.88 0.00 0.00 0.96 0.00 0.00 47 V 8.41 3.93 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 0.79 0.00 0.00 0.91 0.00 0.00 48 K 7.48 4.36 0.00 1.56 1.46 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.15 1.26 7.81 49 V 7.93 4.13 1.66 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 -0.07 0.00 0.00 0.70 0.00 0.00 50 E 8.64 4.97 0.00 1.46 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 2.11 2.09 0.00 51 T 8.31 4.54 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 1.23 0.00 0.00 52 Q 8.06 4.21 0.00 1.11 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.96 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 53 V 8.62 3.62 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 0.82 0.00 0.00 0.93 0.00 0.00 54 V 8.32 4.27 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 0.87 0.00 0.00 0.93 0.00 0.00 55 A 8.59 4.75 1.23 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 56 G 8.03 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 57 T 7.31 4.66 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 0.28 0.00 0.00 58 N 8.75 5.05 0.00 2.62 2.78 0.00 0.00 6.95 7.46 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 59 Y 8.94 4.50 0.00 2.94 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 60 R 8.52 4.64 0.00 1.83 1.84 0.00 3.16 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 61 L 9.77 4.83 0.00 1.30 1.46 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.50 4.85 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 1.19 0.00 0.00 63 L 9.22 4.90 0.00 1.51 1.54 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.62 4.94 0.00 1.59 1.69 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 65 V 9.03 4.56 2.18 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 0.99 0.00 0.00 1.14 0.00 0.00 66 A 8.33 4.97 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 67 E 9.06 4.02 0.00 2.08 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 2.40 2.35 0.00 68 S 8.77 5.61 0.00 4.25 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 69 T 8.24 4.14 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 1.21 0.00 0.00 70 C 7.47 4.64 0.00 3.08 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 71 E 7.81 4.46 0.00 2.05 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 2.42 0.00 72 L 8.53 4.13 0.00 1.71 1.72 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.93 4.03 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 74 S 8.15 4.65 0.00 3.90 3.83 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 75 T 8.32 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 1.23 0.00 0.00 76 Y 8.47 4.08 0.00 2.92 2.86 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 77 N 7.33 4.66 0.00 2.65 2.39 0.00 0.00 6.86 6.75 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 78 K 8.81 3.41 0.00 1.95 2.06 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 79 D 8.06 4.53 0.00 2.61 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 80 T 7.48 4.28 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 1.13 0.00 0.00 81 C 8.09 4.48 0.00 2.30 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 82 L 7.51 4.41 0.00 1.70 1.58 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.65 0.00 2.21 2.08 0.00 3.78 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 2.00 1.99 0.00 84 K 8.95 3.92 0.00 1.99 1.81 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.57 7.81 85 A 8.88 3.99 1.30 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 0.00 0.00 86 D 7.89 4.67 0.00 2.76 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 87 A 7.82 4.05 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 88 A 8.47 4.14 1.23 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 89 H 8.65 5.13 0.00 3.07 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.89 4.70 0.00 1.81 1.81 0.00 3.19 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 91 T 8.54 4.96 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 1.21 0.00 0.00 92 C 8.96 5.41 0.00 2.92 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 93 T 8.14 5.13 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 1.20 0.00 0.00 94 T 8.43 4.58 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 0.80 0.00 0.00 95 V 8.84 4.66 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 0.97 0.00 0.00 0.94 0.00 0.00 96 V 8.72 5.47 2.18 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 0.94 0.00 0.00 0.99 0.00 0.00 97 F 8.89 5.17 0.00 3.38 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 98 E 7.44 4.88 0.00 2.03 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 2.10 2.15 0.00 99 N 8.28 5.23 0.00 3.01 3.12 0.00 0.00 6.86 6.60 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 0.00 100 L 8.26 4.03 0.00 1.66 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.46 4.13 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 102 G 8.71 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 0.00 0.00 0.00 0.00 103 D 8.39 4.48 0.00 2.65 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 0.00 104 K 8.71 5.35 0.00 1.62 1.81 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.44 7.81 105 S 8.99 4.78 0.00 3.93 4.02 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 0.00 106 V 8.39 5.01 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 1.12 0.00 0.00 1.01 0.00 0.00 107 S 8.89 4.51 0.00 3.96 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 0.00 108 P 0.00 4.27 0.00 2.11 2.12 0.00 3.75 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 2.06 2.16 0.00 109 F 9.29 4.08 0.00 2.78 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 0.00 110 E 9.27 4.40 0.00 2.06 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 2.24 2.33 0.00 111 C 8.46 5.24 0.00 2.95 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 0.00 112 E 7.90 4.59 0.00 1.92 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 2.22 2.22 0.00 113 A 9.30 4.08 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 0.00 114 A 7.76 4.19 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 * Residues marked with a * may have inaccurate shift predictions.