NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 W 4.6839 8.1327 121.3306 55.6580 29.2914 175.2937 13 L 3.7521 8.4845 127.6451 56.5134 41.6452 175.1957 14 E 4.0990 8.4331 119.2581 58.7771 29.9729 178.5772 15 G 3.5407 8.7155 106.8730 47.7119 0.0000 175.8419 16 I 3.8968 7.7555 115.8043 63.5922 37.5501 178.0912 17 R 4.1722 8.3372 120.1812 59.2107 30.0917 179.0159 18 K 3.1353 7.6619 119.0141 58.6766 32.0592 178.7134 19 W 4.0282 8.1223 128.9893 60.4522 30.6119 177.4381 20 Y 3.2712 9.0783 120.6543 60.4376 38.3665 176.9192 21 Y 3.8226 8.3697 120.9501 61.0669 38.6035 178.2626 22 N 4.0313 7.5887 114.8967 55.9619 38.6721 177.0630 23 A 3.5877 6.8895 121.1877 54.5443 18.3055 179.0762 24 A 3.5989 7.2226 118.9482 54.3702 18.6800 179.1455 25 G 3.4883 7.0165 103.2635 46.8800 0.0000 175.3347 26 F 4.2130 6.7999 116.4939 59.0582 37.7555 176.9869 27 N 4.5195 6.9516 117.5972 55.6665 37.1445 176.9749 28 K 2.8302 7.2890 120.2415 57.6775 31.7179 177.9912 29 L 4.5758 7.3160 117.4055 53.7715 41.9937 177.0184 30 G 3.9469 7.8719 107.1069 45.9086 0.0000 173.9076 31 L 4.6046 7.7077 118.2343 53.9110 43.0835 175.9539 32 M 4.9964 9.2326 120.4120 53.5883 34.6848 177.3066 33 R 3.1127 9.5882 121.7174 59.9594 29.6882 178.7816 34 D 4.2642 7.9886 117.2108 56.8936 40.4542 178.1263 35 D 4.5277 8.1035 119.1388 56.3795 40.9002 177.4953 36 T 4.2079 7.2137 108.2003 60.5009 69.7131 174.8796 37 I 3.6699 6.6331 122.0941 61.2130 38.5967 174.7100 38 H 4.3366 8.5859 126.9317 55.8428 30.1638 174.4986 39 E 4.1270 8.7145 127.3203 55.9716 29.4590 175.9477 40 N 5.0053 8.1181 123.7094 51.2377 41.4434 174.4985 41 D 4.3981 8.4709 118.4272 57.7212 40.7872 178.5121 42 D 4.3417 8.0947 119.1919 57.3787 40.8719 178.7271 43 V 3.6260 8.6967 119.1030 65.8748 31.5130 178.2189 44 K 3.9693 8.1143 118.3514 59.4360 31.6665 178.9687 45 E 3.9524 7.8995 117.9486 59.0755 29.9761 178.3831 46 A 4.2139 8.1055 120.9087 55.3345 18.5748 179.6827 47 I 3.7291 8.0790 118.5867 64.5402 36.9435 178.6868 48 R 3.9504 7.9720 118.5650 58.8927 29.9761 177.8878 49 R 4.2125 7.4566 115.1611 55.6620 30.8318 176.8035 50 L 3.4980 6.8576 119.8055 53.4893 42.4532 175.9597 51 P 4.4458 0.0000 0.0000 62.4044 33.3386 177.1592 52 E 3.9661 8.8288 119.4516 60.0062 29.4167 179.6651 53 N 4.3616 8.1341 116.0965 56.1283 37.4019 177.0810 54 L 3.8869 7.8233 120.8595 57.2080 41.7830 178.7017 55 Y 3.8300 8.0723 119.6372 60.8446 38.8093 177.6906 56 D 4.4223 8.6572 120.2669 57.4109 40.8797 178.5773 57 D 4.3576 8.2028 119.5487 57.1717 40.8147 178.7265 58 R 3.7068 7.7207 119.2104 59.3437 30.0585 178.6065 59 V 3.4131 7.4593 117.9705 66.0458 31.4300 177.8070 60 F 4.1237 8.2056 120.2877 61.2803 39.2359 177.3696 61 R 3.7837 8.1270 117.7854 59.1404 29.7329 179.1857 62 I 3.6222 7.6921 119.6117 64.1567 37.1183 178.3524 63 K 3.7986 7.9597 120.5472 59.4174 32.0053 178.7794 64 R 3.5759 7.8120 119.1230 59.1669 29.8330 178.3897 65 A 3.9196 7.9023 120.5423 55.1922 18.3679 179.6196 66 L 3.8845 8.1330 117.8720 57.8231 41.6092 179.3269 67 D 4.2679 8.0082 118.0737 57.2793 41.0997 178.3117 68 L 3.9684 7.9141 119.5244 57.7932 41.6128 179.3618 69 S 4.0226 8.3425 113.4686 61.6772 62.0870 175.9417 70 M 4.0710 8.0459 119.8043 58.1446 32.0384 177.4044 71 R 4.3071 7.5510 114.9429 54.8840 30.9981 176.0129 72 Q 3.3672 7.8121 116.9758 57.4553 26.9240 172.7391 73 Q 4.9473 8.2110 114.1812 54.0576 32.8641 175.3820 74 I 4.7785 8.1244 112.3201 59.0860 40.9547 175.1163 75 L 4.4564 8.6121 123.0455 53.7696 42.5176 175.6585 76 P 4.4183 0.0000 0.0000 62.2476 32.2533 177.5994 77 K 2.0000 8.4437 122.5168 58.8816 31.8755 178.4412 78 E 4.0095 7.8105 114.4654 58.0885 29.5776 177.0644 79 Q 4.5420 7.8796 117.5759 55.3552 29.5832 175.9558 80 W 4.7169 7.7077 119.0003 56.6964 29.6588 176.3096 81 T 4.1578 8.5933 119.0043 63.7820 68.7343 173.8526 82 K 4.6424 8.5485 124.6549 54.8952 33.5724 176.4991 83 Y 2.9719 8.8958 125.1719 60.6080 38.5685 178.5564 84 E 3.7484 8.1619 116.6704 58.6581 29.6462 177.4964 85 E 4.2841 7.8962 116.1982 56.1804 30.2475 175.4801 86 D 4.5876 7.4941 119.0758 53.6656 41.1413 175.3651 87 K 4.5959 8.3416 125.4042 54.2558 35.4732 176.0816 88 S 4.3639 8.5428 116.6677 58.0626 62.0737 173.5074 89 Y 4.5134 8.1086 126.4200 58.3730 38.8700 176.9244 90 L 4.3324 7.7352 122.5019 57.0780 42.0959 177.6930 91 E 3.8770 8.1487 120.0150 59.0848 29.0013 177.2794 92 P 4.1249 0.0000 0.0000 66.0841 31.1309 177.9393 93 Y 4.0406 7.7025 115.8494 60.7243 38.0008 177.6462 94 L 3.9898 8.2920 121.5296 57.9574 42.2116 178.7702 95 K 3.8832 8.3615 119.9648 59.6716 32.0862 178.3970 96 E 3.9672 7.9197 118.8238 59.1030 29.5661 178.9192 97 V 3.6106 7.8600 118.5030 66.0740 31.5483 178.1680 98 I 3.7674 7.9674 119.6581 64.1809 36.8925 178.4003 99 R 3.8874 8.1310 119.6631 59.4204 29.9261 178.4325 100 E 3.9474 8.3569 118.4539 59.3966 29.4227 179.3065 101 R 3.8922 7.9298 118.5506 59.4900 30.1968 178.6615 102 K 3.9677 8.2945 118.3835 59.4041 32.0840 178.9525 103 E 4.0755 8.2708 119.6496 59.4581 29.6327 179.1388 104 R 4.0397 8.1209 118.1573 59.2983 29.9456 178.9360 105 E 4.0721 8.4584 118.6575 59.4355 29.2110 179.2473 106 E 4.0254 8.2487 117.9058 59.1998 29.6167 179.1411 107 W 4.0581 8.4832 118.6794 59.4348 28.8914 178.4424 108 A 4.1368 8.0675 119.9657 54.6776 17.8576 179.3943 109 K 4.1216 7.6141 116.3356 58.7943 32.2317 177.3004 110 K 4.0994 7.4584 122.7626 56.5665 31.9620 176.6307 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 *12 W 8.13 4.68 0.00 2.44 2.29 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 13 L 8.48 3.75 0.00 1.85 1.73 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.43 4.10 0.00 2.17 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 2.46 2.55 0.00 15 G 8.72 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 16 I 7.76 3.90 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.85 0.89 0.00 0.00 17 R 8.34 4.17 0.00 2.00 2.02 0.00 3.45 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 18 K 7.66 3.14 0.00 1.22 1.62 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.17 7.81 19 W 8.12 4.03 0.00 3.50 3.48 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 0.00 20 Y 9.08 3.27 0.00 3.32 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 21 Y 8.37 3.82 0.00 3.20 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 N 7.59 4.03 0.00 2.55 2.70 0.00 0.00 7.08 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 23 A 6.89 3.59 0.28 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 24 A 7.22 3.60 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.02 3.49 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 26 F 6.80 4.21 0.00 3.14 3.18 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 27 N 6.95 4.52 0.00 3.26 2.66 0.00 0.00 6.30 6.61 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 28 K 7.29 2.83 0.00 1.45 1.24 0.00 1.05 0.00 0.00 1.01 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 29 L 7.32 4.58 0.00 1.72 1.63 0.86 0.82 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 30 G 7.87 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 31 L 7.71 4.60 0.00 1.95 1.62 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 M 9.23 5.00 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 33 R 9.59 3.11 0.00 2.11 2.05 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.93 0.00 34 D 7.99 4.26 0.00 2.02 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 0.00 0.00 0.00 35 D 8.10 4.53 0.00 2.72 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 36 T 7.21 4.21 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 0.75 0.00 0.00 37 I 6.63 3.67 1.79 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 1.16 0.78 0.91 0.00 0.00 38 H 8.59 4.34 0.00 3.07 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.71 4.13 0.00 1.95 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 2.29 2.27 0.00 40 N 8.12 5.01 0.00 2.93 2.89 0.00 0.00 6.21 8.07 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 41 D 8.47 4.40 0.00 2.71 2.76 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 42 D 8.09 4.34 0.00 2.84 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 43 V 8.70 3.63 2.26 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 1.10 0.00 0.00 1.01 0.00 0.00 44 K 8.11 3.97 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.73 7.81 45 E 7.90 3.95 0.00 1.95 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 0.00 2.34 2.39 0.00 46 A 8.11 4.21 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 47 I 8.08 3.73 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.22 1.07 0.00 0.00 48 R 7.97 3.95 0.00 1.95 2.13 0.00 3.22 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 49 R 7.46 4.21 0.00 2.02 2.03 0.00 3.32 0.00 0.00 3.33 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 50 L 6.86 3.50 0.00 1.77 1.53 1.02 0.67 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 51 P 0.00 4.45 0.00 2.42 2.22 0.00 3.50 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 E 8.83 3.97 0.00 1.99 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 0.00 2.36 2.33 0.00 53 N 8.13 4.36 0.00 2.90 3.08 0.00 0.00 6.21 6.67 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 54 L 7.82 3.89 0.00 1.78 1.58 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.07 3.83 0.00 2.99 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 56 D 8.66 4.42 0.00 2.73 2.74 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 57 D 8.20 4.36 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 58 R 7.72 3.71 0.00 1.66 1.81 0.00 3.08 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 59 V 7.46 3.41 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 0.93 0.00 0.00 0.46 0.00 0.00 60 F 8.21 4.12 0.00 3.18 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 61 R 8.13 3.78 0.00 1.86 1.93 0.00 3.42 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 62 I 7.69 3.62 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.84 0.00 0.00 63 K 7.96 3.80 0.00 1.85 1.72 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 64 R 7.81 3.58 0.00 1.01 1.66 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 65 A 7.90 3.92 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 66 L 8.13 3.88 0.00 1.75 1.69 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.01 4.27 0.00 2.84 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 68 L 7.91 3.97 0.00 1.88 1.88 0.90 0.59 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 69 S 8.34 4.02 0.00 3.87 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 70 M 8.05 4.07 0.00 2.19 2.06 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 2.60 2.57 0.00 71 R 7.55 4.31 0.00 1.93 1.94 0.00 3.37 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 72 Q 7.81 3.37 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 Q 8.21 4.95 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 74 I 8.12 4.78 1.98 0.00 0.00 1.00 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 0.80 0.82 0.00 0.00 75 L 8.61 4.46 0.00 1.86 1.82 1.02 0.97 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 76 P 0.00 4.42 0.00 2.19 1.99 0.00 3.69 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 2.25 2.10 0.00 77 K 8.44 2.00 0.00 0.97 1.28 0.00 1.20 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.71 0.21 7.81 78 E 7.81 4.01 0.00 2.05 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 0.00 2.22 2.23 0.00 79 Q 7.88 4.54 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 80 W 7.71 4.72 0.00 3.42 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 81 T 8.59 4.16 4.50 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 1.43 0.00 0.00 82 K 8.55 4.64 0.00 1.86 1.93 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.64 7.81 83 Y 8.90 2.97 0.00 2.62 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 84 E 8.16 3.75 0.00 1.96 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 0.00 2.36 2.48 0.00 85 E 7.90 4.28 0.00 1.96 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 0.00 2.27 2.23 0.00 86 D 7.49 4.59 0.00 2.84 2.52 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 87 K 8.34 4.60 0.00 1.79 1.68 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.33 7.81 88 S 8.54 4.36 0.00 3.78 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 89 Y 8.11 4.51 0.00 3.16 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 90 L 7.74 4.33 0.00 1.21 1.53 1.00 0.57 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 91 E 8.15 3.88 0.00 2.04 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 2.34 0.00 92 P 0.00 4.12 0.00 1.87 2.13 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 93 Y 7.70 4.04 0.00 3.19 3.08 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 94 L 8.29 3.99 0.00 1.78 1.68 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.36 3.88 0.00 1.86 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 E 7.92 3.97 0.00 2.12 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 0.00 2.31 2.37 0.00 97 V 7.86 3.61 2.26 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 1.00 0.00 0.00 1.00 0.00 0.00 98 I 7.97 3.77 2.01 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 1.56 0.56 0.92 0.00 0.00 99 R 8.13 3.89 0.00 2.01 2.09 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 100 E 8.36 3.95 0.00 2.21 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 2.33 2.56 0.00 101 R 7.93 3.89 0.00 1.92 2.09 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 102 K 8.29 3.97 0.00 1.98 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.61 7.81 103 E 8.27 4.08 0.00 2.12 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 0.00 2.39 2.58 0.00 104 R 8.12 4.04 0.00 2.09 1.99 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 105 E 8.46 4.07 0.00 2.21 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 0.00 2.36 2.53 0.00 106 E 8.25 4.03 0.00 2.19 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 2.49 2.51 0.00 107 W 8.48 4.06 0.00 3.56 3.33 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 0.00 108 A 8.07 4.14 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 0.00 109 K 7.61 4.12 0.00 1.91 1.86 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.71 7.81 110 K 7.46 4.10 0.00 1.74 1.59 0.00 0.94 0.00 0.00 1.21 0.00 0.00 2.64 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.27 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.