NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *26 S 4.4922 8.3193 117.1084 57.6419 64.1006 177.0491 27 R 4.1226 9.0360 115.8328 56.7104 30.2804 174.2977 28 K 5.0127 8.6469 118.9244 55.1194 37.0443 176.3157 29 F 6.0096 8.8422 119.4346 55.6536 42.2791 173.0333 30 I 4.9135 9.1080 110.8959 59.6185 41.2266 173.7454 31 I 5.1644 9.1616 124.8964 59.7619 39.6021 174.6409 32 A 5.1408 9.0900 128.7677 50.2561 22.5844 175.4009 33 N 4.8965 8.8085 119.2468 52.2808 38.9589 175.4627 34 A 4.3265 8.5978 129.0702 54.3323 19.8092 178.5135 35 R 4.4627 7.8885 113.4803 56.5064 30.0718 176.5236 36 V 4.5421 8.0265 118.4435 61.5815 35.0102 176.4910 37 E 4.1031 8.9500 120.6287 58.5655 29.9376 178.6118 38 N 4.7474 8.2195 114.3673 51.8455 38.2442 174.4512 39 C 4.6500 8.0472 114.1041 58.9964 26.6937 172.8125 40 A 4.2890 8.1591 119.0387 52.6920 19.4267 178.2241 41 V 4.1479 8.8714 122.9320 63.1830 32.2075 176.2427 42 I 4.3584 8.5386 121.7005 60.8082 38.4699 174.9976 43 Y 4.6354 7.5285 121.7011 57.5203 41.9413 172.1193 44 C 4.6218 7.0470 119.8660 56.6623 32.2590 173.6558 45 N 4.3345 7.8810 120.9214 51.7430 38.1972 175.6375 46 D 4.4297 8.7683 118.5797 57.5663 40.6921 179.4122 47 G 3.7504 8.0696 106.8991 47.1030 0.0000 175.2003 48 F 4.0050 8.7987 123.5623 61.2327 39.3878 176.6730 49 C 4.0755 7.6739 117.3139 62.4195 27.7615 176.3301 50 E 3.8832 7.8950 118.5689 58.8829 29.0268 179.0061 51 L 3.8415 7.3700 120.0996 58.2064 42.5974 178.5077 52 C 4.3510 7.8624 114.0899 59.0177 29.6045 175.1777 53 G 3.7630 8.1044 108.9355 45.4324 0.0000 172.5354 54 Y 4.5571 7.5132 117.1859 56.0802 40.1494 175.4574 55 S 4.3781 9.5297 119.0970 57.6751 65.6382 175.3635 56 R 3.8167 8.5409 122.4315 59.8745 29.4846 178.6577 57 A 3.9942 7.8435 118.9460 54.9178 18.4451 179.1122 58 E 3.9731 7.4597 115.3665 59.5184 30.0511 179.2924 59 V 3.4596 7.6937 118.2667 65.0590 31.7438 176.1662 60 M 4.1303 7.3163 116.7841 57.3921 32.2332 176.3694 61 Q 3.6823 8.9903 120.4213 56.5565 27.2706 173.5344 62 R 4.6171 7.4708 116.8782 53.4081 32.2728 174.0733 63 P 5.1162 0.0000 0.0000 62.5093 31.5400 177.1494 64 C 4.2354 8.3546 118.2426 60.1192 29.4151 174.6746 65 T 4.0109 7.7779 109.7527 62.3360 69.7120 173.9457 66 C 3.6104 8.3153 120.6554 60.9344 25.9832 173.9694 67 D 3.8983 7.3887 119.6180 56.6207 41.2025 178.9814 68 F 4.3750 7.6166 112.5282 58.3235 38.2202 175.6612 69 L 4.4702 6.7770 121.0521 55.1489 42.0376 176.3655 70 H 5.0491 7.8076 116.4627 56.0728 29.6858 175.5723 71 G 3.5246 9.4839 109.4528 44.8535 0.0000 171.3568 72 P 4.2000 0.0000 0.0000 66.2594 31.2862 177.6429 73 C 4.3106 8.7943 113.7161 61.6259 28.3112 174.1561 74 T 3.8369 7.6555 117.1880 63.6891 68.2174 174.5044 75 Q 4.2270 8.6260 129.1203 56.0527 30.3440 178.0883 76 R 4.0252 8.7541 128.8319 62.1678 29.4740 177.3197 77 R 4.1468 7.9048 119.7238 61.3271 29.0226 181.6781 78 A 4.5222 8.0440 121.9655 54.3855 18.4167 179.5594 79 A 3.9085 8.1087 119.1238 55.2984 18.5116 179.6599 80 A 3.9551 8.1297 119.4068 55.4216 18.2446 179.8798 81 Q 3.9400 8.0793 116.5284 59.2619 28.7255 179.1373 82 I 3.6817 7.5013 119.7899 64.1016 37.0633 178.4269 83 A 3.9861 8.1922 124.2085 55.7566 18.1822 180.2511 84 Q 3.9150 8.4673 119.4178 60.2998 28.1438 180.2733 85 A 4.2095 7.9827 123.0942 55.2765 18.1698 179.8152 86 L 3.2768 7.3387 115.4635 57.6208 41.6079 179.5638 87 L 4.2976 7.6880 118.3644 57.5416 41.6825 179.0338 88 G 3.9743 8.1893 103.1372 43.5833 0.0000 173.3204 89 A 4.0458 8.3474 123.0958 53.4661 16.1526 178.3643 90 E 4.5663 8.6736 118.2219 55.8837 31.5940 178.7202 91 E 4.5325 8.7642 125.8002 55.0822 30.2487 175.5108 92 R 4.7187 8.8179 126.5554 54.9618 34.3200 173.4365 93 K 5.0571 8.6051 123.9880 54.6729 34.2773 175.6855 94 V 4.3252 8.9443 125.0255 60.8963 34.7321 173.7242 95 E 4.6528 8.7547 129.0817 55.3324 30.2726 174.9879 96 I 4.4635 8.9178 127.3220 58.8114 42.0261 173.8828 97 A 4.3537 8.2970 130.0281 51.5989 18.9491 176.7281 98 F 5.3992 8.3461 121.6108 56.1613 42.5319 174.4115 99 Y 5.2054 8.9806 118.6490 56.3768 40.7913 176.3828 100 R 4.7017 9.4864 124.0253 55.4582 31.6612 177.5715 101 K 3.8565 8.5960 120.9996 59.4110 32.0322 177.1878 102 D 4.5732 8.0373 116.0789 53.2170 39.4246 176.8830 103 G 4.1459 8.0698 109.7153 45.7499 0.0000 174.4290 104 S 4.3157 8.1519 114.5305 59.2497 63.6655 172.7461 105 C 5.0436 8.6993 125.3182 57.6568 34.3895 172.2467 106 F 5.0499 8.5467 118.9399 55.3061 41.5682 173.1120 107 L 4.3614 9.0919 124.5240 55.0095 42.8025 174.8530 108 C 5.3740 8.8729 127.7513 57.5420 34.3750 172.3225 109 L 4.7551 9.0713 128.2876 53.5395 43.3348 175.0916 110 V 3.9832 8.9884 128.5633 62.0884 33.2533 174.2908 111 D 5.1151 8.8263 128.5152 52.4800 42.8095 174.8999 112 V 4.1542 8.8472 127.6811 62.2752 32.5047 175.0961 113 V 4.2285 8.7659 130.3920 60.4300 32.6440 173.0430 114 P 4.2587 0.0000 0.0000 62.1823 32.4627 176.5838 115 V 4.1706 8.1376 122.7106 61.3423 33.5264 174.7749 116 K 5.0180 8.5196 127.1940 55.1289 34.6278 176.2125 117 N 4.8570 8.3661 121.9178 52.0551 39.8642 175.8468 118 E 3.8931 8.8954 115.4167 60.2893 29.7258 174.2046 *119 D 4.5106 8.0321 115.3387 53.6358 39.8985 179.0622 120 G 3.9113 8.2410 106.3001 46.4149 0.0000 173.7919 121 A 4.1106 8.5080 124.0006 51.2132 19.1569 177.5285 122 V 4.0145 8.1415 122.3848 62.8104 31.3358 175.7683 123 I 4.1496 8.6700 129.5875 63.7584 38.1027 175.9133 124 M 4.9563 7.6162 116.6809 53.8541 35.4006 172.9388 125 F 5.1915 9.2633 116.8877 55.6989 43.1319 175.0842 126 I 5.0368 8.9193 121.9738 59.8700 40.3480 174.2651 127 L 5.0204 9.0279 128.3336 53.0937 43.7117 175.2419 128 N 5.6683 8.8765 122.9129 51.9429 41.1822 173.1454 129 F 5.6282 9.6084 125.4062 55.9852 41.7483 175.0792 130 E 4.8791 8.7291 118.3154 54.9312 33.2637 174.3295 131 V 4.3625 8.5655 123.6067 63.1930 31.6426 175.5747 132 V 4.0438 9.2720 129.0728 65.3935 32.4713 175.7909 133 M 4.5014 7.6100 115.9031 54.7046 35.4767 173.3237 134 E 4.8213 8.8954 125.0804 55.4224 30.8382 176.4646 135 K 4.1680 8.2586 122.0870 57.5044 32.3101 175.4125 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 *26 S 8.32 4.49 0.00 3.65 3.12 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 0.00 0.00 0.00 0.00 27 R 9.04 4.12 0.00 2.29 2.21 0.00 3.10 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 28 K 8.65 5.01 0.00 2.14 1.99 0.00 1.70 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.68 1.59 7.81 29 F 8.84 6.01 0.00 3.31 3.24 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 30 I 9.11 4.91 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 -0.13 0.00 0.00 31 I 9.16 5.16 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.12 1.05 0.00 0.00 32 A 9.09 5.14 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 33 N 8.81 4.90 0.00 2.86 2.80 0.00 0.00 7.30 8.63 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 34 A 8.60 4.33 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 35 R 7.89 4.46 0.00 2.30 1.98 0.00 3.23 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.43 0.00 36 V 8.03 4.54 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 1.10 0.00 0.00 0.97 0.00 0.00 37 E 8.95 4.10 0.00 2.03 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 2.23 1.87 0.00 38 N 8.22 4.75 0.00 2.87 3.08 0.00 0.00 6.38 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 39 C 8.05 4.65 0.00 3.14 2.99 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 0.00 0.00 0.00 40 A 8.16 4.29 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 41 V 8.87 4.15 2.22 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 0.99 0.00 0.00 0.98 0.00 0.00 42 I 8.54 4.36 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 1.00 0.00 0.00 43 Y 7.53 4.64 0.00 3.02 2.80 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 44 C 7.05 4.62 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 4.33 0.00 2.86 2.25 0.00 0.00 6.55 7.77 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 46 D 8.77 4.43 0.00 2.79 2.77 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 47 G 8.07 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 48 F 8.80 4.01 0.00 2.99 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 49 C 7.67 4.08 0.00 3.11 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 50 E 7.90 3.88 0.00 2.03 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 2.29 2.38 0.00 51 L 7.37 3.84 0.00 1.57 1.66 0.60 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 7.86 4.35 0.00 3.24 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 54 Y 7.51 4.56 0.00 3.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.53 4.38 0.00 3.97 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 56 R 8.54 3.82 0.00 1.82 1.93 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 57 A 7.84 3.99 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 58 E 7.46 3.97 0.00 2.07 1.91 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 2.31 2.28 0.00 59 V 7.69 3.46 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 1.11 0.00 0.00 1.09 0.00 0.00 60 M 7.32 4.13 0.00 2.03 1.99 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 2.62 2.90 0.00 61 Q 8.99 3.68 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 62 R 7.47 4.62 0.00 2.12 1.92 0.00 2.71 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 63 P 0.00 5.12 0.00 2.18 2.02 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 64 C 8.35 4.24 0.00 3.06 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 65 T 7.78 4.01 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 1.18 0.00 0.00 66 C 8.32 3.61 0.00 2.67 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 0.00 0.00 0.00 67 D 7.39 3.90 0.00 2.67 2.66 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 0.00 0.00 0.00 68 F 7.62 4.37 0.00 2.88 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 69 L 6.78 4.47 0.00 0.92 1.07 0.06 0.96 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 70 H 7.81 5.05 0.00 3.31 3.26 0.00 5.71 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 71 G 9.48 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.10 2.12 0.00 2.29 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 73 C 8.79 4.31 0.00 3.10 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 74 T 7.66 3.84 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 1.12 0.00 0.00 75 Q 8.63 4.23 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 76 R 8.75 4.03 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 77 R 7.90 4.15 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 78 A 8.04 4.52 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 79 A 8.11 3.91 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 80 A 8.13 3.96 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 81 Q 8.08 3.94 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 82 I 7.50 3.68 2.02 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 1.41 1.48 0.89 0.00 0.00 83 A 8.19 3.99 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 84 Q 8.47 3.91 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 85 A 7.98 4.21 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 86 L 7.34 3.28 0.00 1.55 1.25 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.69 4.30 0.00 1.86 1.75 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.19 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 89 A 8.35 4.05 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 90 E 8.67 4.57 0.00 1.72 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 2.21 2.12 0.00 91 E 8.76 4.53 0.00 1.99 1.91 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 2.28 2.32 0.00 92 R 8.82 4.72 0.00 1.92 1.68 0.00 3.09 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 93 K 8.61 5.06 0.00 1.63 1.68 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.39 7.81 94 V 8.94 4.33 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 0.99 0.00 0.00 0.88 0.00 0.00 95 E 8.75 4.65 0.00 1.96 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 2.17 2.23 0.00 96 I 8.92 4.46 1.56 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 0.58 1.24 -0.24 0.00 0.00 97 A 8.30 4.35 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.35 5.40 0.00 1.61 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 0.00 0.00 0.00 0.00 99 Y 8.98 5.21 0.00 2.90 2.94 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 0.00 0.00 0.00 100 R 9.49 4.70 0.00 2.14 2.09 0.00 3.15 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 101 K 8.60 3.86 0.00 0.86 1.50 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.13 0.50 7.81 102 D 8.04 4.57 0.00 2.82 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 0.00 103 G 8.07 4.15 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 0.00 104 S 8.15 4.32 0.00 4.03 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 0.00 105 C 8.70 5.04 0.00 2.66 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 0.00 106 F 8.55 5.05 0.00 3.03 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 0.00 107 L 9.09 4.36 0.00 1.79 1.80 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.87 5.37 0.00 3.31 2.68 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 0.00 109 L 9.07 4.76 0.00 1.76 1.57 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.99 3.98 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 0.39 0.00 0.00 0.94 0.00 0.00 111 D 8.83 5.12 0.00 2.69 2.50 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 0.00 112 V 8.85 4.15 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 0.85 0.00 0.00 0.86 0.00 0.00 113 V 8.77 4.23 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 0.92 0.00 0.00 1.00 0.00 0.00 114 P 0.00 4.26 0.00 1.85 1.64 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 115 V 8.14 4.17 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 1.00 0.00 0.00 0.88 0.00 0.00 116 K 8.52 5.02 0.00 1.61 1.66 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.30 7.81 117 N 8.37 4.86 0.00 2.93 2.95 0.00 0.00 7.46 7.08 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 0.00 118 E 8.90 3.89 0.00 2.01 1.91 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 2.23 1.88 0.00 *119 D 8.03 4.51 0.00 2.69 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 0.00 120 G 8.24 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 0.00 121 A 8.51 4.11 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 0.00 122 V 8.14 4.01 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 0.22 0.00 0.00 0.86 0.00 0.00 123 I 8.67 4.15 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.89 0.00 0.00 124 M 7.62 4.96 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 125 F 9.26 5.19 0.00 2.99 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 0.00 126 I 8.92 5.04 2.03 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 1.32 0.83 0.96 0.00 0.00 127 L 9.03 5.02 0.00 1.75 1.31 0.93 0.25 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 0.00 128 N 8.88 5.67 0.00 2.82 2.69 0.00 0.00 6.64 7.31 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 0.00 129 F 9.61 5.63 0.00 3.16 3.29 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 0.00 130 E 8.73 4.88 0.00 2.22 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 0.00 2.19 2.13 0.00 131 V 8.57 4.36 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 0.88 0.00 0.00 0.88 0.00 0.00 132 V 9.27 4.04 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 0.81 0.00 0.00 1.01 0.00 0.00 133 M 7.61 4.50 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 134 E 8.90 4.82 0.00 1.91 1.90 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 2.30 2.25 0.00 135 K 8.26 4.17 0.00 1.76 1.71 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.