NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5821 8.1727 122.0734 55.5678 35.3512 174.4521 3 K 4.9009 8.8016 122.8411 54.1618 34.3397 173.3313 4 I 4.7857 8.9005 129.0420 59.4059 40.4260 173.8423 5 L 4.8142 8.6127 129.5675 53.8800 43.5286 175.1198 6 I 4.5022 8.6410 128.8803 59.9939 39.0205 175.1470 7 V 4.4462 8.7992 128.9127 61.4326 33.0206 174.1938 8 D 5.7931 8.8974 128.4140 53.4669 44.4307 175.3034 9 D 4.9796 9.0053 124.8382 53.9282 40.7976 175.9140 10 E 4.5552 8.6625 120.8537 54.6290 30.3156 176.5025 11 K 4.1740 8.7971 125.9867 59.0521 32.4137 176.5259 12 P 4.2676 0.0000 0.0000 65.9178 31.2836 178.6021 13 I 3.8758 7.7581 117.9060 64.2195 37.1883 178.1125 14 S 4.1467 8.2586 114.0726 61.6123 62.1850 175.9857 15 D 4.4784 8.5093 121.7247 57.5270 40.5623 178.9604 16 I 3.8429 7.7712 119.8026 64.4275 37.1179 178.6491 17 I 3.8335 8.0481 120.6706 64.1637 36.8871 178.0637 18 K 3.8395 8.6371 120.9006 59.7025 31.9907 178.1259 19 F 4.1979 8.6777 120.9315 61.7165 39.2539 176.9445 20 N 4.2516 8.4289 115.8542 56.5589 38.4737 177.4504 21 M 4.3218 8.6169 120.5766 58.6740 31.9373 178.9865 22 T 4.0383 8.2073 116.1355 66.6822 68.4331 176.7985 23 K 3.7140 7.5758 119.0238 59.4146 32.0768 178.6827 24 E 4.0374 7.6276 116.6976 57.2771 29.4054 177.8618 25 G 3.7943 7.8762 107.5570 45.1516 0.0000 173.0777 26 Y 4.6477 7.0988 116.4207 57.2900 39.0071 174.9302 27 E 4.3013 9.3835 124.5969 55.9007 31.1112 175.2861 28 V 4.8807 8.4547 126.3236 61.2136 33.8346 174.8337 29 V 4.7229 8.7468 120.8199 59.6847 34.9424 174.7032 30 T 5.0475 8.4902 112.6391 59.9075 71.5659 172.9690 31 A 4.6672 8.4886 124.0110 50.3903 22.6565 176.6088 32 F 5.0370 9.9396 117.0980 56.1774 40.5530 174.6044 33 N 4.9563 7.6442 118.3101 50.7668 41.1923 175.2118 34 G 3.5697 8.5816 106.4063 47.6818 0.0000 175.7902 35 R 3.8757 7.9274 120.4746 59.4638 30.1937 178.1632 36 E 3.9895 8.3090 117.6241 59.3661 29.3572 179.0198 37 A 3.9818 8.0731 120.6661 55.4031 18.4864 179.7947 38 L 4.0986 7.9818 117.3790 57.8774 41.6546 179.6635 39 E 3.9984 8.3718 118.6126 59.6147 29.4558 179.4768 40 Q 4.0056 8.4774 118.4665 58.6675 28.7984 178.3678 41 F 4.2430 8.5414 122.0468 61.4996 39.2170 177.1076 42 E 3.4227 7.9846 116.3714 59.2088 29.3303 178.9117 43 A 4.1000 7.8958 119.5450 54.4743 18.7303 178.6978 44 E 4.2317 8.5713 115.1689 55.3970 31.5611 176.1345 45 Q 3.2526 7.6769 117.3341 56.0557 26.6458 171.8170 46 P 4.4826 0.0000 0.0000 62.9855 32.4683 176.9116 47 D 4.6240 8.7819 119.5789 56.6471 41.5530 176.5277 48 I 4.5983 7.3732 116.7862 59.8424 41.7385 172.9668 49 I 4.9493 8.6485 128.4460 59.5576 40.5316 174.4093 50 I 4.6329 8.4515 127.9122 59.6682 39.0317 174.4320 51 L 4.7026 8.8844 130.4611 52.8664 44.1151 175.3502 52 D 4.9986 8.8853 127.9947 51.7913 40.4687 173.8385 53 L 4.9716 7.3773 121.6568 53.2208 44.1052 175.3238 *56 P 4.3312 0.0000 0.0000 63.0567 33.5234 176.0411 57 E 4.4844 8.4499 121.2035 52.2811 28.0318 174.3353 58 I 4.0496 7.7668 122.9253 61.1591 35.8293 176.2307 59 D 4.4499 7.6865 123.0499 57.3524 40.5148 178.8375 60 G 3.6123 8.0613 105.5603 47.8654 0.0000 175.5060 61 L 4.0260 7.8808 121.1954 57.5795 41.6607 179.3974 62 E 3.9424 8.4517 118.6857 59.1086 29.3294 179.4414 63 V 3.4986 8.3051 118.5179 65.9715 31.6382 177.9415 64 A 3.8359 7.9908 120.2950 54.9870 18.0281 179.1807 65 K 3.7277 7.9439 117.0610 60.2845 32.3234 178.7166 66 T 4.0365 8.2583 116.0564 66.6846 68.4085 176.9583 67 I 3.5064 7.7683 121.7891 64.3084 36.8028 178.6246 68 R 4.2913 7.5939 118.8924 57.8843 29.8880 178.6266 69 K 4.0839 7.6447 118.5920 58.9413 32.1637 177.6468 70 T 4.5492 7.8380 105.7182 61.5017 70.5240 173.9924 71 S 4.6838 8.1945 116.5870 56.9218 65.5652 173.8042 72 S 4.6725 8.6127 120.0465 57.7479 63.2233 174.2431 73 V 3.6372 7.5600 120.8463 62.1929 31.3406 174.4619 74 P 4.6008 0.0000 0.0000 63.1085 32.6368 175.0346 75 I 4.7614 8.9549 124.4700 59.3540 40.4479 174.1293 76 L 4.9090 8.9323 130.1478 53.5994 43.8135 175.0510 77 M 4.7241 8.7828 127.2077 54.5121 33.7319 175.5611 78 L 5.3363 8.0890 121.7806 52.0881 45.7639 175.5374 79 S 4.5390 7.9617 113.4130 57.6237 65.0277 176.3817 80 A 4.2472 8.9415 128.5569 54.6062 18.6218 178.5023 81 K 4.2829 8.0348 115.9638 56.7672 32.5610 176.4129 82 D 4.9342 8.5898 121.0735 52.2720 40.6265 176.0927 83 S 4.5671 7.9438 115.5156 57.7740 65.5553 174.4794 84 E 3.8300 8.5766 122.7226 59.4308 29.3159 178.6025 85 F 3.9782 8.2421 120.1158 61.4431 39.4480 176.6886 86 D 4.5220 8.0278 117.8781 57.3372 40.6657 178.9443 87 K 2.5913 7.5799 118.8460 58.9519 32.0078 179.5672 88 V 3.3985 7.7277 118.7375 66.0689 31.4626 177.9539 89 I 3.5875 7.7217 118.7442 63.6086 37.8122 177.9844 90 G 3.7546 8.0432 106.7507 47.8623 0.0000 175.6577 91 L 4.2699 7.7089 123.1116 56.9975 41.4527 179.3427 92 E 3.9582 7.9206 117.1112 59.4635 29.5464 178.9178 93 L 4.2643 7.5288 115.6554 55.0610 41.8542 176.7054 94 G 3.5539 7.8780 107.3175 44.9043 0.0000 174.6384 95 A 4.0345 7.8955 124.1964 53.0403 18.7984 177.9394 96 D 4.6277 8.8182 121.4006 56.1562 41.8628 176.0475 97 D 4.7523 7.7673 116.1938 53.4660 45.0882 173.4122 98 Y 5.0123 8.3871 122.8916 56.2076 41.9011 174.0313 99 V 4.6734 8.7951 127.1564 61.2425 34.6129 174.7654 100 T 4.9937 8.7230 117.4467 61.2032 70.4650 173.7956 101 K 4.8975 8.6691 123.2878 54.3921 33.5866 174.9558 102 P 4.5925 0.0000 0.0000 61.9292 32.6042 175.0592 103 F 5.0208 7.4070 113.5997 54.6741 41.1054 174.5209 104 S 4.4005 8.5635 116.2780 57.7563 62.9546 174.5058 105 N 4.6357 9.0801 125.7051 54.7183 38.1841 177.7817 106 R 4.0369 9.2113 114.3248 58.0951 29.8010 180.3284 107 E 3.6024 8.6247 127.9785 59.0547 32.0614 175.8331 108 L 3.9378 7.7298 118.7764 58.0923 42.1250 178.8236 109 Q 4.0334 9.6156 118.0419 59.1591 28.6198 178.9380 110 A 4.0872 7.8814 121.1096 55.1019 18.4348 179.7828 111 R 3.8692 9.1292 117.9090 59.2544 30.0600 179.3988 112 V 3.5099 8.0204 118.3112 65.7926 31.4175 178.2694 113 K 4.0068 8.1884 118.0844 59.4162 31.9401 179.1566 114 A 3.9891 8.2954 121.2797 55.1236 18.1692 179.6573 115 L 3.9223 8.0761 117.5192 58.0427 41.5791 179.8205 116 L 3.9941 8.1163 119.0040 57.7510 41.2955 179.5380 117 R 3.8980 8.1389 118.1748 59.1642 30.1093 178.1091 118 R 4.2914 7.6277 115.2757 57.1212 30.5704 177.6542 119 S 4.5465 7.5339 113.0324 57.1153 64.0410 173.7458 120 Q 3.6634 7.6637 128.0585 56.5252 30.4181 172.9392 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 2 K 8.17 4.58 0.00 1.93 1.94 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.50 7.81 3 K 8.80 4.90 0.00 1.87 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.50 7.81 4 I 8.90 4.79 1.76 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.17 0.80 0.00 0.00 5 L 8.61 4.81 0.00 1.73 1.51 0.99 0.77 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 6 I 8.64 4.50 1.77 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 1.03 0.54 0.82 0.00 0.00 7 V 8.80 4.45 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 0.70 0.00 0.00 0.85 0.00 0.00 8 D 8.90 5.79 0.00 2.63 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.01 4.98 0.00 2.79 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 10 E 8.66 4.56 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 2.29 2.39 0.00 11 K 8.80 4.17 0.00 1.83 1.81 0.00 1.33 0.00 0.00 1.66 0.00 0.00 3.28 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.76 7.81 12 P 0.00 4.27 0.00 2.22 2.11 0.00 3.62 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 2.13 2.20 0.00 13 I 7.76 3.88 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 1.17 0.00 0.00 14 S 8.26 4.15 0.00 4.01 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 0.00 15 D 8.51 4.48 0.00 3.00 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 16 I 7.77 3.84 2.10 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 0.55 1.06 0.00 0.00 17 I 8.05 3.83 1.92 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 1.54 0.95 0.89 0.00 0.00 18 K 8.64 3.84 0.00 1.92 2.17 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.53 7.81 19 F 8.68 4.20 0.00 3.18 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 20 N 8.43 4.25 0.00 2.97 2.94 0.00 0.00 7.11 7.82 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 21 M 8.62 4.32 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.92 0.00 22 T 8.21 4.04 4.36 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 1.18 0.00 0.00 23 K 7.58 3.71 0.00 1.65 1.67 0.00 1.40 0.00 0.00 1.12 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.79 0.68 7.81 24 E 7.63 4.04 0.00 2.02 1.44 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 0.00 2.34 2.53 0.00 25 G 7.88 3.79 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 0.00 26 Y 7.10 4.65 0.00 3.06 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 27 E 9.38 4.30 0.00 2.05 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 2.32 2.28 0.00 28 V 8.45 4.88 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 0.89 0.00 0.00 0.98 0.00 0.00 29 V 8.75 4.72 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 0.74 0.00 0.00 0.92 0.00 0.00 30 T 8.49 5.05 3.68 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 1.19 0.00 0.00 31 A 8.49 4.67 1.13 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 0.00 0.00 32 F 9.94 5.04 0.00 3.16 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 33 N 7.64 4.96 0.00 2.93 2.95 0.00 0.00 6.10 6.92 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 34 G 8.58 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.88 0.00 1.91 1.96 0.00 3.22 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 36 E 8.31 3.99 0.00 2.23 2.04 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 2.47 2.45 0.00 37 A 8.07 3.98 1.35 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 0.00 0.00 0.00 38 L 7.98 4.10 0.00 1.89 1.82 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.37 4.00 0.00 2.18 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 2.35 2.50 0.00 40 Q 8.48 4.01 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 41 F 8.54 4.24 0.00 3.05 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 42 E 7.98 3.42 0.00 2.06 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 2.20 2.55 0.00 43 A 7.90 4.10 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 44 E 8.57 4.23 0.00 2.04 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 2.26 2.47 0.00 45 Q 7.68 3.25 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 46 P 0.00 4.48 0.00 2.37 2.07 0.00 3.98 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 2.17 2.10 0.00 47 D 8.78 4.62 0.00 2.63 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 48 I 7.37 4.60 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.21 0.70 0.00 0.00 49 I 8.65 4.95 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.85 0.00 0.00 50 I 8.45 4.63 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.53 0.72 0.00 0.00 51 L 8.88 4.70 0.00 1.58 1.40 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.89 5.00 0.00 2.62 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 53 L 7.38 4.97 0.00 1.65 1.58 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *56 P 0.00 4.33 0.00 2.14 2.14 0.00 3.86 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 2.02 1.98 0.00 57 E 8.45 4.48 0.00 1.94 1.89 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 2.29 2.31 0.00 58 I 7.77 4.05 1.89 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 1.43 0.22 0.95 0.00 0.00 59 D 7.69 4.45 0.00 2.92 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 60 G 8.06 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 61 L 7.88 4.03 0.00 1.88 1.74 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.45 3.94 0.00 2.09 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 2.33 2.46 0.00 63 V 8.31 3.50 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 0.92 0.00 0.00 0.99 0.00 0.00 64 A 7.99 3.84 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 65 K 7.94 3.73 0.00 1.89 2.00 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 T 8.26 4.04 4.38 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 1.23 0.00 0.00 67 I 7.77 3.51 1.69 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.60 0.21 0.00 0.00 68 R 7.59 4.29 0.00 1.99 1.96 0.00 3.27 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 69 K 7.64 4.08 0.00 1.80 1.90 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 70 T 7.84 4.55 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 71 S 8.19 4.68 0.00 4.16 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 72 S 8.61 4.67 0.00 4.00 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 73 V 7.56 3.64 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 0.55 0.00 0.00 1.06 0.00 0.00 74 P 0.00 4.60 0.00 1.96 1.99 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 75 I 8.95 4.76 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.89 0.82 0.00 0.00 76 L 8.93 4.91 0.00 1.56 1.40 0.83 0.64 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 77 M 8.78 4.72 0.00 1.60 1.86 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 78 L 8.09 5.34 0.00 1.35 1.35 0.53 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.96 4.54 0.00 3.62 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 4.25 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 81 K 8.03 4.28 0.00 1.93 2.13 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.49 7.81 82 D 8.59 4.93 0.00 2.77 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 83 S 7.94 4.57 0.00 4.08 4.05 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 84 E 8.58 3.83 0.00 2.05 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 2.36 2.34 0.00 85 F 8.24 3.98 0.00 3.19 2.95 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 86 D 8.03 4.52 0.00 2.89 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 87 K 7.58 2.59 0.00 1.53 1.51 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.67 0.73 7.81 88 V 7.73 3.40 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 0.84 0.00 0.00 0.89 0.00 0.00 89 I 7.72 3.59 1.13 0.00 0.00 0.64 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 0.95 0.93 0.00 0.00 90 G 8.04 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 91 L 7.71 4.27 0.00 1.80 1.70 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.92 3.96 0.00 1.85 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 2.44 2.41 0.00 93 L 7.53 4.26 0.00 1.75 1.69 0.95 0.97 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 94 G 7.88 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.90 4.03 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 96 D 8.82 4.63 0.00 2.62 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 97 D 7.77 4.75 0.00 2.67 2.42 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 98 Y 8.39 5.01 0.00 2.95 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 99 V 8.80 4.67 1.95 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 0.96 0.00 0.00 0.90 0.00 0.00 100 T 8.72 4.99 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 1.41 0.00 0.00 101 K 8.67 4.90 0.00 1.79 1.87 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.73 1.45 7.81 102 P 0.00 4.59 0.00 2.05 1.96 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 103 F 7.41 5.02 0.00 3.13 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 0.00 104 S 8.56 4.40 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 0.00 105 N 9.08 4.64 0.00 2.81 3.00 0.00 0.00 7.12 7.66 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 0.00 106 R 9.21 4.04 0.00 1.86 1.47 0.00 3.33 0.00 0.00 3.29 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 107 E 8.62 3.60 0.00 2.13 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 0.00 2.39 2.44 0.00 108 L 7.73 3.94 0.00 1.86 2.00 0.65 0.25 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 0.00 109 Q 9.62 4.03 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 110 A 7.88 4.09 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 0.00 111 R 9.13 3.87 0.00 1.81 1.96 0.00 3.13 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 112 V 8.02 3.51 2.04 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 0.80 0.00 0.00 0.85 0.00 0.00 113 K 8.19 4.01 0.00 2.04 1.89 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.70 7.81 114 A 8.30 3.99 1.35 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 0.00 0.00 0.00 115 L 8.08 3.92 0.00 1.91 1.69 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.12 3.99 0.00 1.84 1.74 0.90 0.71 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 0.00 117 R 8.14 3.90 0.00 1.97 2.19 0.00 3.25 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 118 R 7.63 4.29 0.00 2.04 1.96 0.00 3.34 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 119 S 7.53 4.55 0.00 3.80 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 0.00 120 Q 7.66 3.66 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.