NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0801 8.0544 114.0593 60.8932 33.2582 174.9375 4 N 4.4243 8.3567 119.8053 52.3059 40.4007 174.5542 5 F 3.8057 9.7219 130.6794 61.7942 39.9031 176.5423 6 Y 3.9995 8.3656 116.3299 60.9050 37.7716 177.6142 7 D 4.6054 8.6104 119.5123 57.7882 40.8871 179.2565 8 V 3.5185 7.7703 118.0850 65.8141 31.4219 177.6983 9 A 3.6945 7.6863 120.5464 55.5123 18.0756 179.2886 10 Y 4.2334 7.8014 114.9684 61.1693 37.8498 178.2068 11 D 4.4017 7.9984 119.6513 57.1403 40.7981 178.5511 12 L 3.8882 8.1012 121.3350 57.8488 42.1015 178.3363 13 E 3.8636 8.4554 119.7585 59.5698 29.5288 178.6830 14 N 4.2944 8.1969 116.0226 56.1675 38.3683 177.1472 15 A 3.9691 7.9192 121.2108 55.0655 18.7617 179.1593 16 L 4.0254 8.0507 118.7916 58.4893 42.0011 179.1642 17 R 3.4774 8.1044 117.0614 58.8382 30.0926 178.3211 18 G 3.9336 7.7902 102.3064 43.8982 0.0000 174.0797 19 S 4.4735 7.4252 116.7303 57.5114 64.2593 175.0838 20 E 3.9905 8.8022 122.5525 59.4436 29.3344 178.9514 21 E 3.9766 8.2445 118.3388 59.4519 29.5109 178.9872 22 F 4.0749 8.2210 120.2411 61.5153 39.4090 177.2374 23 T 3.7964 7.9505 115.1853 66.7404 68.2663 176.7742 24 R 3.8670 8.3452 120.3005 59.0427 29.9871 178.9195 25 L 3.8431 7.7400 120.0935 57.9348 42.0399 178.8364 26 K 3.6837 7.7699 119.9064 59.5655 31.9713 178.4281 27 N 4.2920 8.3574 117.0308 56.3127 38.3600 177.4171 28 L 3.9028 7.9101 120.3692 57.8096 41.7126 178.8984 29 Y 3.7948 8.2270 119.7355 60.8524 38.7322 177.9972 30 D 4.3402 8.4327 119.9994 57.1116 40.6685 178.3246 31 E 3.8437 8.1419 119.3049 59.2759 29.8669 178.7395 32 V 3.5801 7.7761 118.4052 66.1327 31.3335 177.8028 33 N 4.2896 7.7698 114.5693 55.7513 38.3990 176.8023 34 A 4.3400 7.9554 121.0135 52.6660 18.8857 177.1399 35 D 4.5644 7.4154 117.3899 52.6039 41.8203 176.0640 36 E 3.8984 8.7092 128.6049 59.6494 29.4036 178.8304 37 S 4.0797 8.0544 112.9129 61.5898 63.1057 176.0969 38 A 3.9727 7.8096 121.6586 54.7392 18.3197 179.0346 39 K 3.9993 8.5128 118.5918 59.7809 32.1969 179.6497 40 R 3.9492 7.4969 114.8909 57.3398 29.7486 177.4800 *42 F 4.8499 7.9916 121.0906 57.9329 41.3374 176.8609 43 E 3.8866 8.7392 120.4282 59.4749 29.1332 178.8989 44 N 4.2944 8.3512 117.0762 56.3323 38.8106 176.6922 45 F 4.1399 8.1569 121.7264 61.4275 39.4115 176.9059 46 R 3.4576 7.7587 116.5807 59.3266 30.0470 178.6322 47 D 4.3588 8.0976 118.3808 57.3876 40.6927 178.6729 48 V 3.5638 7.5581 117.4421 65.8199 32.7818 177.6723 49 Q 4.2512 7.1650 117.7362 55.0885 24.7949 175.7038 50 L 4.2266 7.7255 119.2939 55.4221 43.1881 176.5781 *69 Q 4.2476 7.9913 117.7934 57.0785 30.1890 175.8324 70 A 3.5572 6.8630 117.1026 54.8090 19.2269 177.7181 71 Q 4.5283 8.6691 116.5805 55.1947 31.2457 175.9325 72 K 4.8253 7.9129 119.4937 56.7884 32.2430 176.9770 73 T 3.9256 8.4245 115.1208 66.7699 67.9203 175.0573 74 V 3.6744 8.0973 119.4292 65.8296 31.2665 177.8523 75 A 3.9557 7.8990 120.6455 55.0311 18.0228 178.7866 76 L 3.8859 8.0123 117.0038 59.1906 42.2779 179.3939 77 V 3.7440 7.7203 111.3268 64.2899 31.3181 178.7475 78 Q 4.1497 8.2165 118.5843 57.8673 28.5914 177.9523 79 Q 4.2958 7.6361 116.6120 56.4843 29.1856 175.1138 80 H 4.6278 7.6366 122.6282 54.5838 31.0083 174.6250 81 E 3.8741 8.7616 127.8859 59.3875 29.5126 178.6013 82 K 3.9112 7.8144 118.9325 59.6401 32.1758 178.6032 83 I 3.5813 7.9208 118.3637 64.4893 36.9879 178.1058 84 S 4.2411 8.2363 116.0232 61.5508 62.5195 176.7266 85 Q 4.1963 8.1486 120.8078 58.7397 28.4106 179.0983 86 L 4.0252 7.5962 117.4589 56.0441 41.7487 178.2220 *88 E 4.2216 8.1324 118.0714 55.9768 31.3816 177.9698 89 A 3.9845 8.2377 119.3558 55.1215 18.3739 179.0907 90 E 4.1108 8.4411 116.5425 59.8138 29.7006 179.1629 91 Q 4.2067 8.0224 117.4569 59.0073 29.2764 179.2384 92 R 4.1319 7.9285 117.4831 56.1943 30.2571 177.0397 *94 S 4.2068 7.9369 111.0607 58.1932 63.9938 174.9461 *96 L 4.2342 7.9361 121.4549 54.6823 43.6539 178.7462 97 I 3.8019 7.8465 118.8812 64.2177 36.9211 178.2634 98 G 3.7292 8.3227 106.7719 48.0312 0.0000 175.3974 99 E 3.9760 8.1600 120.7341 59.0835 29.5500 179.3027 100 L 3.9694 8.1669 119.0934 57.8027 41.4400 179.3633 101 N 4.3261 8.0991 115.2976 56.3623 38.6239 177.0561 102 K 4.0385 7.9575 118.4637 59.6609 32.2108 179.0328 103 I 3.9032 7.7603 119.0894 64.1766 37.3556 180.2265 104 I 3.9930 7.5814 113.0324 60.8949 38.0243 177.1533 *106 K 4.3631 8.0581 122.6763 57.0260 34.1573 175.4945 107 P 4.4173 0.0000 0.0000 65.9672 30.8071 178.3715 108 L 4.0995 7.8665 118.2468 57.6324 41.4791 178.6145 109 E 3.9853 8.1795 117.5514 59.4258 29.6376 178.1483 110 E 4.1270 8.2570 117.6671 59.3522 29.6100 178.8119 111 L 4.0313 7.5914 118.6617 58.1469 42.2931 176.8625 112 Y 4.2143 7.9873 119.7079 58.1294 38.1418 175.2268 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 V 8.05 4.08 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 0.86 0.00 0.00 0.92 0.00 0.00 4 N 8.36 4.42 0.00 2.91 2.98 0.00 0.00 6.49 6.82 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 5 F 9.72 3.81 0.00 3.05 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 6 Y 8.37 4.00 0.00 3.34 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 7 D 8.61 4.61 0.00 2.92 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 8 V 7.77 3.52 1.81 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 0.96 0.00 0.00 0.92 0.00 0.00 9 A 7.69 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.80 4.23 0.00 3.22 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 11 D 8.00 4.40 0.00 2.86 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 12 L 8.10 3.89 0.00 1.64 1.73 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.46 3.86 0.00 2.07 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 2.28 2.35 0.00 14 N 8.20 4.29 0.00 3.00 2.84 0.00 0.00 6.95 7.51 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 15 A 7.92 3.97 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 16 L 8.05 4.03 0.00 1.73 1.75 0.98 1.00 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 17 R 8.10 3.48 0.00 1.80 1.83 0.00 3.12 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.58 0.00 18 G 7.79 3.93 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 0.00 0.00 0.00 19 S 7.43 4.47 0.00 4.31 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 20 E 8.80 3.99 0.00 2.04 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 2.39 2.36 0.00 21 E 8.24 3.98 0.00 2.15 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 2.43 2.46 0.00 22 F 8.22 4.07 0.00 3.29 3.26 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 23 T 7.95 3.80 4.42 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 1.21 0.00 0.00 24 R 8.35 3.87 0.00 1.96 1.94 0.00 3.44 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.99 0.00 25 L 7.74 3.84 0.00 1.77 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.77 3.68 0.00 1.11 1.61 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 27 N 8.36 4.29 0.00 2.70 2.82 0.00 0.00 7.08 6.35 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 28 L 7.91 3.90 0.00 1.81 1.63 0.89 0.63 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 29 Y 8.23 3.79 0.00 3.08 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 30 D 8.43 4.34 0.00 2.87 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 31 E 8.14 3.84 0.00 2.04 2.05 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 2.27 2.28 0.00 32 V 7.78 3.58 1.72 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 0.62 0.00 0.00 0.70 0.00 0.00 33 N 7.77 4.29 0.00 2.57 2.76 0.00 0.00 7.06 6.65 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 34 A 7.96 4.34 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 35 D 7.42 4.56 0.00 2.65 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 36 E 8.71 3.90 0.00 2.06 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 2.38 2.41 0.00 37 S 8.05 4.08 0.00 3.88 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 38 A 7.81 3.97 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 39 K 8.51 4.00 0.00 1.96 1.97 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 40 R 7.50 3.95 0.00 1.88 2.02 0.00 3.18 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 *42 F 7.99 4.85 0.00 3.10 3.23 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 43 E 8.74 3.89 0.00 2.13 1.99 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 2.37 2.52 0.00 44 N 8.35 4.29 0.00 2.78 2.92 0.00 0.00 6.88 7.12 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 45 F 8.16 4.14 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 46 R 7.76 3.46 0.00 1.70 1.78 0.00 2.60 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.00 47 D 8.10 4.36 0.00 2.86 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 48 V 7.56 3.56 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 0.79 0.00 0.00 0.97 0.00 0.00 49 Q 7.16 4.25 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.62 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 50 L 7.73 4.23 0.00 1.50 1.61 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *69 Q 7.99 4.25 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 70 A 6.86 3.56 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 71 Q 8.67 4.53 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.18 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 72 K 7.91 4.83 0.00 1.96 0.92 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.21 7.81 73 T 8.42 3.93 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 1.40 0.00 0.00 74 V 8.10 3.67 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 1.12 0.00 0.00 1.15 0.00 0.00 75 A 7.90 3.96 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.01 3.89 0.00 1.64 2.01 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.72 3.74 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 0.64 0.00 0.00 0.30 0.00 0.00 78 Q 8.22 4.15 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 79 Q 7.64 4.30 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 80 H 7.64 4.63 0.00 3.17 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.76 3.87 0.00 2.05 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 2.34 2.39 0.00 82 K 7.81 3.91 0.00 1.82 1.82 0.00 1.96 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.44 7.81 83 I 7.92 3.58 1.85 0.00 0.00 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 1.47 0.45 0.91 0.00 0.00 84 S 8.24 4.24 0.00 4.04 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 85 Q 8.15 4.20 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 86 L 7.60 4.03 0.00 1.58 1.57 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *88 E 8.13 4.22 0.00 2.29 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 2.30 2.41 0.00 89 A 8.24 3.98 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 90 E 8.44 4.11 0.00 2.01 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 0.00 2.47 2.70 0.00 91 Q 8.02 4.21 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.73 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 92 R 7.93 4.13 0.00 1.96 1.96 0.00 3.25 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 *94 S 7.94 4.21 0.00 3.91 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 *96 L 7.94 4.23 0.00 1.88 1.70 0.93 1.01 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 97 I 7.85 3.80 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 1.60 0.70 0.92 0.00 0.00 98 G 8.32 3.73 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 0.00 0.00 0.00 99 E 8.16 3.98 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 2.41 2.36 0.00 100 L 8.17 3.97 0.00 1.80 1.70 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.10 4.33 0.00 2.91 2.88 0.00 0.00 7.08 7.15 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 0.00 102 K 7.96 4.04 0.00 1.88 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 103 I 7.76 3.90 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 0.90 0.00 0.00 104 I 7.58 3.99 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.61 0.95 0.00 0.00 *106 K 8.06 4.36 0.00 2.12 1.89 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.51 7.81 107 P 0.00 4.42 0.00 2.32 2.32 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 108 L 7.87 4.10 0.00 1.73 1.79 0.91 0.91 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 0.00 109 E 8.18 3.99 0.00 1.97 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 0.00 2.32 2.44 0.00 110 E 8.26 4.13 0.00 2.17 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 2.46 0.00 111 L 7.59 4.03 0.00 1.79 2.02 0.80 0.73 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 0.00 112 Y 7.99 4.21 0.00 3.01 2.89 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 * Residues marked with a * may have inaccurate shift predictions.