NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.3765 8.3301 115.2942 57.6120 63.9052 173.6915 23 A 4.0361 8.2788 125.5659 50.6682 20.1759 177.0230 24 L 3.8662 8.2457 122.9919 58.7078 42.6105 177.5474 25 H 4.1568 8.0037 114.3808 58.5746 28.1855 177.3633 26 W 4.6476 7.3773 121.0002 59.5395 28.9169 178.6716 27 R 3.9575 8.0249 117.5283 59.1872 29.4770 178.9182 28 A 3.9487 8.5611 120.7845 54.9702 18.3429 179.5600 29 A 4.0240 8.1883 119.4535 55.2195 18.5138 180.0389 30 G 3.5364 8.2159 103.9942 47.9419 0.0000 175.6283 31 A 3.9654 8.2555 123.6210 54.8251 18.3143 179.5239 32 A 3.9024 8.3682 119.5962 55.5820 18.4039 180.0673 33 T 3.6709 7.7954 114.2408 66.6593 68.5141 177.1604 34 V 3.5515 7.7212 120.1946 65.8884 31.5092 177.8286 35 L 3.9259 8.2162 120.5140 57.9705 41.8204 178.6442 36 L 3.8685 8.1116 120.5681 58.1485 42.0227 179.0627 37 V 3.5721 7.8165 118.1315 66.1127 31.3319 178.0798 38 I 3.7180 7.7775 119.5555 64.3798 36.9305 178.6252 39 V 3.6272 8.0578 119.2861 65.8311 31.3439 178.1302 40 L 4.0004 8.2576 119.1372 57.7370 41.5835 179.5307 41 L 4.0576 8.0411 118.6785 57.8355 41.5308 179.4782 42 A 4.2018 8.5065 121.2901 55.0949 18.2277 179.9021 43 G 3.7370 8.7953 104.6605 48.1183 0.0000 176.1515 44 S 4.4337 8.4542 117.5678 61.5531 63.0145 176.1724 45 Y 4.3814 8.2003 121.9669 60.9986 38.5588 178.1469 46 L 4.0679 8.6349 119.9408 57.4696 41.5748 179.4127 47 A 3.9065 8.4804 121.3643 55.0900 18.3350 179.8413 48 V 3.5502 7.4275 118.0731 65.4007 31.3044 177.9147 49 L 3.7996 7.3872 118.4478 58.1694 41.9596 178.5705 50 A 4.2068 8.0557 119.8534 54.9330 18.7424 178.9698 51 E 4.0768 8.4207 117.1656 57.7578 29.8772 177.5816 52 R 4.0633 7.3318 117.9254 57.5361 30.5066 176.9495 53 G 3.8534 9.0321 109.6360 44.9606 0.0000 173.0561 54 A 4.4813 7.7686 123.2572 49.3836 19.4885 174.3739 55 P 4.2710 0.0000 0.0000 65.3820 31.6427 177.0653 56 G 3.9229 8.9678 111.7772 45.0422 0.0000 173.5758 57 A 4.0198 7.6027 122.4041 52.6013 18.7270 177.2437 58 Q 4.3851 8.2373 118.3691 55.8116 31.2989 176.4486 59 L 4.1872 7.3266 122.7912 53.8195 40.4645 176.4173 60 I 4.4905 7.2672 109.0092 59.8789 39.4186 176.6011 61 T 4.3912 7.2293 111.2843 59.5087 72.7864 174.1422 62 Y 4.2402 8.0712 120.9817 60.8016 38.0495 177.0512 63 P 4.3941 0.0000 0.0000 65.7724 31.5084 178.8848 64 R 4.2803 8.1148 113.7199 58.9285 29.4901 178.4207 65 A 4.2043 8.0191 121.6597 54.8896 18.3866 179.3263 66 L 4.6382 8.4116 120.6087 57.6429 42.2062 178.9727 67 W 4.4762 8.3598 128.0180 60.3309 30.7847 177.7127 68 W 4.0199 8.8335 128.9695 60.4152 30.0621 178.0492 69 S 3.1726 8.4766 114.3711 61.0192 62.2938 176.7987 70 V 3.4456 7.5556 121.8715 65.6267 31.3720 177.7402 71 E 3.7629 7.3101 117.6224 57.8370 29.2207 178.7883 72 T 3.6863 6.8992 116.5956 66.0062 69.0094 176.7881 73 A 4.0899 7.8703 123.0701 54.8338 18.2857 178.8329 74 T 4.0360 7.8228 106.7204 61.3792 69.0005 175.6783 75 T 3.3060 7.4342 110.6760 62.7958 68.0078 173.5152 76 V 3.2946 7.8036 123.3341 65.4561 31.9618 176.4052 77 G 3.9586 8.0542 107.7887 46.2551 0.0000 173.6234 78 Y 3.9974 7.4271 115.0321 59.7422 38.5272 178.7817 79 G 4.2709 8.0291 106.3075 45.1642 0.0000 173.9624 80 D 4.6576 8.1621 119.3363 55.4882 39.9709 176.6742 81 L 4.5948 7.6260 117.7287 53.2199 45.7057 174.5975 82 Y 4.7511 7.1676 117.6144 55.5311 40.0901 172.1288 83 P 4.5335 0.0000 0.0000 62.8345 32.2066 176.5172 84 V 4.3286 9.1608 112.9373 61.3307 33.6504 176.6521 85 T 4.4684 7.9352 111.1009 59.7219 71.8727 175.3877 86 L 3.7362 8.0336 122.9015 58.3593 42.0438 179.3587 87 W 4.7924 7.7928 118.3324 59.6454 28.9746 178.7278 88 G 3.6133 8.2779 106.0469 47.8395 0.0000 176.1025 89 R 4.0787 8.2938 120.4850 59.1158 30.1861 178.9251 90 C 4.2461 8.2831 116.7392 62.7973 28.1848 176.2047 91 V 3.7301 8.2772 119.7407 65.9898 31.0401 177.7879 92 A 4.3276 8.4514 120.6595 55.5025 18.2439 179.7877 93 V 3.5589 8.1537 116.7440 66.0598 31.5454 178.4397 94 V 3.5979 7.8334 117.7097 65.9318 31.3881 178.2103 95 V 3.5599 7.9041 117.9942 66.1380 31.2589 177.7898 96 M 3.9543 8.2351 118.6470 58.5548 31.8125 178.8620 97 V 3.5662 8.0004 118.0559 65.9821 31.6199 177.9170 98 A 4.0621 8.2731 120.6481 54.9748 18.1773 179.9011 99 G 3.9170 8.1200 105.5319 47.5599 0.0000 175.8861 100 I 3.8055 8.0469 123.2300 64.4857 37.1398 178.7412 101 T 3.9060 8.1513 116.5357 66.6081 68.2735 177.0296 102 S 4.0158 8.2182 117.0952 61.7660 63.0095 176.8736 103 F 4.2945 8.4071 120.6432 60.3649 38.6016 178.0753 104 G 3.6711 8.4580 105.7163 47.6428 0.0000 175.5920 105 L 3.9994 8.1156 122.7763 57.8260 42.0504 179.2731 106 V 3.6497 7.6284 117.9952 66.1818 31.4480 178.1583 107 T 3.9077 7.9784 115.0950 66.6137 68.2887 176.4968 108 A 3.9512 8.1153 122.4760 55.0425 18.3811 179.5919 109 A 3.6277 8.1069 119.3721 55.0349 18.2973 179.8894 110 L 3.9584 8.0510 117.3652 57.8418 41.6248 179.5603 111 A 4.0336 8.0400 120.7311 55.4352 18.2637 179.8423 112 T 3.6989 7.7246 114.2528 66.3320 68.4747 176.6507 113 W 4.3249 7.9387 130.1979 60.6659 30.7484 178.0423 114 F 4.2665 8.2494 117.9657 60.5084 38.3286 177.8455 115 V 3.6972 8.3792 118.4812 65.9177 31.4010 178.3067 116 G 3.7195 8.4196 107.9820 48.5919 0.0000 176.5258 117 R 3.9964 8.0477 123.3351 61.0402 29.3558 180.3650 118 E 4.0821 8.3802 120.0037 59.0695 29.5502 178.8409 119 Q 3.9789 8.1885 118.1901 59.0025 28.7813 178.7517 120 E 3.9445 8.0809 119.2334 59.6085 29.3868 179.4311 121 R 3.9743 7.9684 117.1021 59.0939 30.1098 177.7312 122 R 4.3541 7.7967 115.5075 55.2642 30.5672 176.4133 123 G 3.7019 8.4481 109.6115 47.5584 0.0000 174.3358 *124 H 4.5076 8.3472 121.9261 54.3978 28.8161 175.6261 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 22 S 8.33 4.38 0.00 3.86 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 23 A 8.28 4.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.87 0.00 1.74 1.65 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.00 4.16 0.00 3.00 3.28 0.00 5.70 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 26 W 7.38 4.65 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.96 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 28 A 8.56 3.95 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 29 A 8.19 4.02 1.52 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 30 G 8.22 3.54 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 0.00 31 A 8.26 3.97 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 32 A 8.37 3.90 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 33 T 7.80 3.67 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 1.15 0.00 0.00 34 V 7.72 3.55 2.19 0.00 0.00 0.00 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 0.93 0.00 0.00 35 L 8.22 3.93 0.00 1.85 1.74 0.91 0.44 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 36 L 8.11 3.87 0.00 1.75 1.70 0.88 0.94 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 37 V 7.82 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 38 I 7.78 3.72 2.03 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 1.39 0.76 0.90 0.00 0.00 39 V 8.06 3.63 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 1.04 0.00 0.00 0.98 0.00 0.00 40 L 8.26 4.00 0.00 1.89 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.04 4.06 0.00 1.87 1.74 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.51 4.20 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 43 G 8.80 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.45 4.43 0.00 4.27 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.20 4.38 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.63 4.07 0.00 1.91 1.79 1.02 1.30 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 47 A 8.48 3.91 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 48 V 7.43 3.55 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 0.66 0.00 0.00 0.57 0.00 0.00 49 L 7.39 3.80 0.00 1.47 1.75 0.84 0.91 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 50 A 8.06 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.42 4.08 0.00 2.01 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 2.29 2.23 0.00 52 R 7.33 4.06 0.00 1.74 1.81 0.00 3.02 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 53 G 9.03 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.77 4.48 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 55 P 0.00 4.27 0.00 2.03 2.03 0.00 3.64 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 2.02 2.09 0.00 56 G 8.97 3.92 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 0.00 0.00 0.00 57 A 7.60 4.02 1.24 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 0.00 0.00 58 Q 8.24 4.39 0.00 1.79 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.50 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 59 L 7.33 4.19 0.00 1.33 1.23 0.60 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.27 4.49 1.74 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 1.54 0.75 0.84 0.00 0.00 61 T 7.23 4.39 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 1.14 0.00 0.00 62 Y 8.07 4.24 0.00 3.19 3.13 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 63 P 0.00 4.39 0.00 2.23 2.18 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 64 R 8.11 4.28 0.00 2.23 2.29 0.00 2.95 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 65 A 8.02 4.20 1.54 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 66 L 8.41 4.64 0.00 1.95 2.05 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.36 4.48 0.00 3.45 3.37 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 68 W 8.83 4.02 0.00 3.45 3.50 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 69 S 8.48 3.17 0.00 3.96 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 0.00 70 V 7.56 3.45 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 1.06 0.00 0.00 1.04 0.00 0.00 71 E 7.31 3.76 0.00 1.67 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 1.61 1.76 0.00 72 T 6.90 3.69 3.53 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 0.88 0.00 0.00 73 A 7.87 4.09 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 74 T 7.82 4.04 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 1.18 0.00 0.00 75 T 7.43 3.31 4.14 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 1.18 0.00 0.00 76 V 7.80 3.29 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.68 0.00 0.00 77 G 8.05 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 78 Y 7.43 4.00 0.00 3.32 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 79 G 8.03 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 80 D 8.16 4.66 0.00 2.95 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 81 L 7.63 4.59 0.00 1.83 1.53 1.21 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.17 4.75 0.00 3.07 3.05 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 83 P 0.00 4.53 0.00 2.19 1.84 0.00 4.00 0.00 0.00 3.46 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 84 V 9.16 4.33 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 0.83 0.00 0.00 0.97 0.00 0.00 85 T 7.94 4.47 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 1.19 0.00 0.00 86 L 8.03 3.74 0.00 1.45 1.17 0.63 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.79 4.79 0.00 3.40 3.13 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 88 G 8.28 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 89 R 8.29 4.08 0.00 2.08 2.03 0.00 3.20 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 90 C 8.28 4.25 0.00 3.49 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 91 V 8.28 3.73 2.44 0.00 0.00 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 0.00 0.00 1.15 0.00 0.00 92 A 8.45 4.33 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 0.00 0.00 0.00 0.00 0.00 93 V 8.15 3.56 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 1.09 0.00 0.00 1.01 0.00 0.00 94 V 7.83 3.60 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 0.98 0.00 0.00 1.03 0.00 0.00 95 V 7.90 3.56 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 0.72 0.00 0.00 1.01 0.00 0.00 96 M 8.24 3.95 0.00 2.06 2.23 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 2.83 2.48 0.00 97 V 8.00 3.57 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 1.09 0.00 0.00 0.97 0.00 0.00 98 A 8.27 4.06 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 99 G 8.12 3.92 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 0.00 0.00 0.00 100 I 8.05 3.81 1.89 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 1.52 0.74 0.93 0.00 0.00 101 T 8.15 3.91 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 1.21 0.00 0.00 102 S 8.22 4.02 0.00 3.81 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 0.00 103 F 8.41 4.29 0.00 3.15 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 0.00 104 G 8.46 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.00 0.00 1.82 1.82 0.90 0.76 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 0.00 106 V 7.63 3.65 2.34 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 1.08 0.00 0.00 0.97 0.00 0.00 107 T 7.98 3.91 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 108 A 8.12 3.95 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 0.00 109 A 8.11 3.63 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 0.00 110 L 8.05 3.96 0.00 1.83 1.43 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.04 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.70 3.85 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 0.00 0.00 0.84 0.00 0.00 113 W 7.94 4.32 0.00 3.29 3.30 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 0.00 114 F 8.25 4.27 0.00 3.18 2.82 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 0.00 0.00 0.00 115 V 8.38 3.70 2.25 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 1.00 0.00 0.00 0.97 0.00 0.00 116 G 8.42 3.72 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 0.00 0.00 0.00 117 R 8.05 4.00 0.00 1.85 1.95 0.00 3.27 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 118 E 8.38 4.08 0.00 2.11 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 0.00 2.26 2.36 0.00 119 Q 8.19 3.98 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 120 E 8.08 3.94 0.00 2.24 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 2.36 2.58 0.00 121 R 7.97 3.97 0.00 1.87 2.11 0.00 3.20 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 122 R 7.80 4.35 0.00 2.01 1.96 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 123 G 8.45 3.70 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 0.00 0.00 0.00 *124 H 8.35 4.51 0.00 2.94 3.24 0.00 5.88 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 * Residues marked with a * may have inaccurate shift predictions.