NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4172 0.0000 0.0000 62.5675 32.8587 175.3078 3 S 4.6727 8.2665 115.7364 57.0885 65.1907 173.9334 4 I 4.4858 10.4343 129.7257 59.3773 40.7049 173.8497 5 K 5.0097 8.5373 127.9103 55.4795 33.8690 175.4703 6 L 5.1961 9.0898 124.7285 52.9047 45.6233 175.1155 7 Q 5.2631 9.6064 125.8056 54.2987 31.4307 175.6001 8 S 4.7662 9.5599 122.8260 57.8651 64.4147 174.5915 9 S 4.2723 9.0716 115.2234 61.6562 62.8038 175.7789 10 D 4.3779 8.4859 127.7685 52.7122 38.0600 176.4859 11 G 3.6138 8.7473 109.8916 47.6921 0.0000 172.2179 12 E 4.0321 10.1454 122.3410 56.5325 30.5265 176.0060 13 I 5.0312 8.1084 119.2853 59.3765 40.2754 174.8721 14 F 4.7989 9.1293 122.4078 56.0382 43.1385 173.2729 15 E 5.0611 9.0585 123.3028 55.1441 30.6585 175.8525 16 V 4.5552 8.8901 118.0668 58.9232 35.5847 174.6775 17 D 4.4613 8.8870 123.1993 55.0840 41.2871 177.8127 18 V 3.6266 8.6890 125.2544 65.7952 32.0851 176.3796 19 E 4.0726 8.6424 120.1461 59.0180 29.2655 177.7272 20 I 4.0731 7.5961 108.8649 62.1118 39.1025 176.7365 21 A 4.1997 7.7209 124.0337 52.6756 18.7329 177.9823 22 K 3.5597 8.7579 113.0431 57.6387 32.2655 177.7948 23 Q 4.1307 8.6764 119.4993 58.4491 29.5080 176.5030 24 S 4.3067 7.9929 113.2781 57.7944 63.4579 174.5962 25 V 3.6233 9.1274 130.1353 66.3360 31.4000 178.2069 26 T 4.0217 8.1688 109.9571 64.6417 68.2321 176.5256 27 I 3.8973 8.3880 116.4558 63.3553 37.6834 178.0772 28 K 3.9630 8.0295 121.6681 59.6774 31.9199 178.9245 29 T 3.8355 8.1797 108.8899 65.0028 68.5207 175.5684 30 M 4.1772 7.5068 120.2196 58.9348 32.2635 177.2751 31 L 4.0374 8.0732 119.5408 56.6408 41.9663 177.3159 32 E 4.0300 7.1232 118.6033 57.5603 29.9691 174.7434 33 D 4.6392 7.9244 123.6731 54.8558 39.6706 174.9729 *43 D 4.4671 7.5249 121.3020 53.8871 42.3151 173.7475 44 P 4.9063 0.0000 0.0000 62.3821 33.5588 177.6016 45 V 4.4122 8.6129 121.8974 59.8254 33.2080 173.3393 46 P 4.9098 0.0000 0.0000 62.4870 32.3390 176.3347 47 L 4.7042 9.1622 122.3864 51.8415 43.3693 174.9000 48 P 4.5553 0.0000 0.0000 62.0261 32.1044 177.1439 49 N 4.8981 7.8426 111.7109 53.7085 40.3856 174.1088 50 V 4.3237 7.4713 113.1318 59.2990 34.1533 175.2894 51 N 4.9399 8.4834 122.2123 52.2048 39.7642 175.5678 52 A 4.3776 8.5924 120.9281 53.1362 18.4192 179.5804 53 A 4.0602 7.8142 120.3743 54.9173 18.9994 179.7912 54 I 3.5897 7.6531 117.7503 64.4332 37.2811 177.8541 55 L 3.7629 8.0936 121.4913 58.9655 41.7531 178.3213 56 K 3.5829 7.6721 117.0688 59.8772 31.9586 177.6537 57 K 4.0867 8.4024 118.8062 60.5260 32.2991 178.7046 58 V 3.6161 8.0312 117.1237 66.9978 31.3792 177.7668 59 I 3.7441 8.3585 118.1631 63.9186 37.8148 178.1270 60 Q 4.0604 8.2691 120.7313 58.2285 28.4255 178.1022 61 W 4.1816 8.5906 129.0452 60.9468 30.9102 177.6480 62 C 4.4407 8.5122 116.6886 63.0536 27.4616 176.0030 63 T 3.8192 8.2028 117.7564 66.9131 67.7897 176.1073 64 H 3.8405 8.2325 119.2900 57.9043 29.8621 175.2945 65 H 4.3595 7.2684 117.9151 55.1020 28.9575 176.0508 66 K 4.3342 7.9541 115.4474 57.9884 32.7095 177.2610 67 D 4.7723 7.8698 119.4836 52.5152 40.4848 178.5802 68 D 3.8141 8.4738 127.6999 55.3027 40.5046 170.6141 *83 D 4.5599 8.1186 116.9260 53.9848 40.3239 174.4150 84 D 4.2964 8.6467 117.2238 55.8086 41.0370 172.8242 85 I 3.3693 7.6523 118.8273 59.8419 37.2205 171.1168 86 P 4.1231 0.0000 0.0000 62.3633 31.9847 176.7723 87 V 3.6412 9.0220 122.9810 66.2532 31.2528 177.7335 88 W 4.1063 8.4453 127.1318 60.7844 30.4636 177.3353 89 D 4.8100 9.1315 118.6620 58.3421 40.2064 179.6647 90 Q 3.7626 7.5489 117.1530 58.4273 29.1797 179.3296 91 E 3.9715 7.7944 119.0481 59.2914 30.0701 177.8062 92 F 4.2395 8.1250 121.0062 61.6460 39.0865 177.6693 93 L 3.9495 7.8335 116.2321 54.3652 43.5887 178.2884 94 K 4.2672 7.4519 120.9281 54.9799 30.4737 174.9884 95 V 4.5174 6.9278 113.8148 58.5562 36.4006 175.3732 96 D 4.3664 8.7975 120.7500 54.1394 39.3269 177.4328 97 Q 3.1112 8.0113 119.6696 56.5839 31.0256 180.0837 98 G 3.8659 7.2564 101.4079 47.2438 0.0000 175.1801 99 T 3.8835 8.5316 114.2233 64.6720 69.0460 175.6815 100 L 3.5901 7.9807 120.4999 58.1282 41.5727 179.2378 101 F 3.9553 7.5650 116.1986 61.1825 39.1303 177.8070 102 E 4.1150 8.4158 117.4672 58.7372 29.1293 179.4969 103 L 3.9394 8.6288 120.6755 57.5502 41.7773 178.6401 104 I 3.8055 7.4403 113.8212 62.1545 38.0430 176.3071 105 L 4.4368 7.7783 118.9070 57.4130 42.3966 178.4125 106 A 3.9242 7.8692 120.2564 55.2315 18.3678 179.0033 107 A 4.0250 8.3864 119.4886 55.6412 18.3332 178.9543 108 N 4.1146 8.2263 114.2055 57.1945 38.6887 176.1018 109 Y 3.9340 7.7182 118.8764 60.7505 39.2936 177.6516 110 L 4.7157 9.0972 120.1667 54.0057 42.9431 175.7396 111 D 4.5318 7.7828 118.7506 55.3531 39.9524 174.3261 112 I 4.4855 7.5291 122.8468 59.1649 36.1833 176.6189 113 K 3.9110 8.4227 125.4350 59.4341 32.1370 177.9227 114 G 3.5995 8.0572 105.1881 47.8377 0.0000 175.2955 115 L 2.9646 7.3155 123.4667 56.9723 41.7453 178.6171 116 L 3.7617 7.6137 119.7758 58.7275 42.0207 177.5136 117 D 4.4859 7.5998 116.9165 58.3276 41.0972 178.8360 118 V 3.8713 7.8749 118.0253 64.9005 31.3674 178.5099 119 T 3.7814 8.0159 114.2167 65.3189 67.3288 176.2328 120 C 4.1565 8.8746 119.7798 62.4967 27.9438 176.4519 121 K 3.9336 8.6356 120.6163 59.9514 31.5282 179.3389 122 T 3.8556 7.4008 114.1905 66.9242 68.5824 176.1106 123 V 3.7378 7.6430 119.2120 65.8967 31.5839 177.5736 124 A 4.0379 7.9677 120.1924 55.6673 18.0446 179.0924 125 N 4.2393 8.6419 114.0122 57.0417 38.6144 177.2758 126 M 4.2510 8.6829 120.0460 58.5423 32.5948 178.5629 127 I 4.0991 8.0286 119.4182 62.8801 37.1343 176.3121 128 K 3.6992 7.9577 121.7817 57.7796 32.1523 176.3234 129 G 3.8479 8.8595 114.7485 46.7732 0.0000 172.8778 130 K 4.6858 7.5024 117.3745 54.4853 34.8889 176.3492 131 T 4.5316 8.2326 110.3422 59.9422 71.5934 173.6431 132 P 4.3347 0.0000 0.0000 66.0628 31.3128 178.0120 133 E 3.9436 8.3096 117.0947 59.7662 29.4347 178.8342 134 E 3.9961 8.2991 118.3256 59.4235 29.4900 179.5176 135 I 4.0346 8.6048 115.1900 63.6243 37.7110 178.2413 136 R 3.9676 8.4711 120.8788 59.3913 29.8264 177.6531 137 K 4.0411 8.4309 120.4647 59.3268 32.1514 178.6209 138 T 4.0340 8.9710 111.0334 63.9447 68.5516 175.2791 139 F 4.5586 8.3029 118.6492 55.9148 40.6898 174.6334 140 N 4.1017 8.1972 117.3919 54.6811 37.6188 173.3834 141 I 4.4435 7.7088 116.8610 59.0097 40.5606 174.4115 142 K 4.3743 8.2670 127.7571 55.2116 33.2675 177.1816 143 N 4.7378 8.7705 123.8031 53.9635 36.2114 175.1057 144 D 4.2248 7.1636 121.5209 55.7692 41.7320 177.1460 145 F 4.9982 8.5118 119.5661 55.7946 40.8001 177.4335 146 T 4.3425 8.6483 117.8108 60.2494 68.8308 173.4877 147 E 3.6182 8.7163 116.1424 57.1274 32.3692 172.5014 148 E 4.6495 8.1265 124.6740 55.9220 28.6766 178.9445 149 E 5.3061 8.6994 107.7381 56.3253 31.4407 172.6359 150 E 4.1658 7.5011 120.3346 57.1015 28.8167 176.3206 151 A 4.5456 8.5230 130.9873 50.4725 19.8997 175.6421 152 Q 4.6629 8.3173 120.1926 54.4585 31.3667 175.2907 153 V 3.7565 8.2869 119.5519 63.5826 32.3065 176.1667 154 R 3.9614 8.5115 122.7085 56.6622 30.9606 175.6918 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 P 0.00 4.42 0.00 1.96 2.08 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 3 S 8.27 4.67 0.00 3.94 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 4 I 10.43 4.49 1.90 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 1.26 1.13 1.00 0.00 0.00 5 K 8.54 5.01 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.49 7.81 6 L 9.09 5.20 0.00 1.85 1.59 1.03 0.55 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 7 Q 9.61 5.26 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 8 S 9.56 4.77 0.00 4.07 4.16 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 0.00 0.00 0.00 9 S 9.07 4.27 0.00 3.86 4.12 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 10 D 8.49 4.38 0.00 2.94 2.91 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 11 G 8.75 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 12 E 10.15 4.03 0.00 2.02 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 1.76 2.02 0.00 13 I 8.11 5.03 1.87 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 1.30 0.71 0.93 0.00 0.00 14 F 9.13 4.80 0.00 3.13 2.98 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 15 E 9.06 5.06 0.00 1.89 1.93 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 2.29 2.37 0.00 16 V 8.89 4.56 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 0.83 0.00 0.00 0.97 0.00 0.00 17 D 8.89 4.46 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.69 3.63 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 0.83 0.00 0.00 0.97 0.00 0.00 19 E 8.64 4.07 0.00 2.04 2.23 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 2.29 2.38 0.00 20 I 7.60 4.07 1.84 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 1.37 1.03 0.88 0.00 0.00 21 A 7.72 4.20 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 22 K 8.76 3.56 0.00 2.13 1.97 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 23 Q 8.68 4.13 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 24 S 7.99 4.31 0.00 3.98 3.77 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 25 V 9.13 3.62 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 0.96 0.00 0.00 0.94 0.00 0.00 26 T 8.17 4.02 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 1.17 0.00 0.00 27 I 8.39 3.90 1.91 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 1.44 0.90 0.97 0.00 0.00 28 K 8.03 3.96 0.00 2.17 1.97 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 29 T 8.18 3.84 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 1.27 0.00 0.00 30 M 7.51 4.18 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 31 L 8.07 4.04 0.00 1.81 1.63 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.12 4.03 0.00 2.07 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 2.28 2.28 0.00 33 D 7.92 4.64 0.00 3.04 2.90 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 0.00 0.00 0.00 *43 D 7.52 4.47 0.00 2.69 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 44 P 0.00 4.91 0.00 2.09 2.08 0.00 3.51 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 2.00 2.09 0.00 45 V 8.61 4.41 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 0.87 0.00 0.00 0.98 0.00 0.00 46 P 0.00 4.91 0.00 2.11 2.10 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 47 L 9.16 4.70 0.00 1.48 1.47 0.91 0.89 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 48 P 0.00 4.56 0.00 2.15 2.12 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 49 N 7.84 4.90 0.00 2.66 2.77 0.00 0.00 6.09 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 50 V 7.47 4.32 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 0.70 0.00 0.00 0.89 0.00 0.00 51 N 8.48 4.94 0.00 2.94 2.96 0.00 0.00 6.16 7.71 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 52 A 8.59 4.38 1.69 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 53 A 7.81 4.06 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 54 I 7.65 3.59 1.99 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 0.99 0.89 0.00 0.00 55 L 8.09 3.76 0.00 1.60 1.38 0.75 0.42 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 56 K 7.67 3.58 0.00 2.21 2.09 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.66 7.81 57 K 8.40 4.09 0.00 2.13 2.00 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.93 7.81 58 V 8.03 3.62 2.33 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 1.06 0.00 0.00 0.98 0.00 0.00 59 I 8.36 3.74 1.85 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 1.56 1.64 0.73 0.00 0.00 60 Q 8.27 4.06 0.00 2.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.46 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 61 W 8.59 4.18 0.00 3.61 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.51 4.44 0.00 3.28 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 63 T 8.20 3.82 4.18 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 1.19 0.00 0.00 64 H 8.23 3.84 0.00 2.38 2.30 0.00 5.91 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.27 4.36 0.00 2.57 2.89 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.95 4.33 0.00 1.63 1.78 0.00 1.45 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.58 7.81 67 D 7.87 4.77 0.00 2.47 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 0.00 0.00 0.00 68 D 8.47 3.81 0.00 2.85 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 *83 D 8.12 4.56 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.65 4.30 0.00 2.73 2.81 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 0.00 0.00 0.00 0.00 85 I 7.65 3.37 1.99 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 1.48 0.49 0.97 0.00 0.00 86 P 0.00 4.12 0.00 2.54 2.15 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 87 V 9.02 3.64 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 1.08 0.00 0.00 0.99 0.00 0.00 88 W 8.45 4.11 0.00 3.44 3.21 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 0.00 89 D 9.13 4.81 0.00 3.27 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 90 Q 7.55 3.76 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 91 E 7.79 3.97 0.00 1.96 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 2.10 2.12 0.00 92 F 8.12 4.24 0.00 2.36 3.21 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 0.00 93 L 7.83 3.95 0.00 1.60 1.52 0.95 0.45 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 94 K 7.45 4.27 0.00 1.84 1.67 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.49 7.81 95 V 6.93 4.52 1.97 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 0.68 0.00 0.00 0.73 0.00 0.00 96 D 8.80 4.37 0.00 2.90 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 97 Q 8.01 3.11 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.59 0.00 0.00 0.00 0.00 0.00 3.20 2.71 0.00 98 G 7.26 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 0.00 0.00 0.00 99 T 8.53 3.88 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 100 L 7.98 3.59 0.00 1.49 0.92 0.57 0.69 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 0.00 101 F 7.57 3.96 0.00 3.27 3.16 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 0.00 0.00 0.00 102 E 8.42 4.12 0.00 2.20 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 2.38 2.41 0.00 103 L 8.63 3.94 0.00 1.70 1.56 0.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.44 3.81 1.78 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 1.66 0.73 0.78 0.00 0.00 105 L 7.78 4.44 0.00 1.97 1.69 0.96 0.62 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 0.00 106 A 7.87 3.92 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 0.00 107 A 8.39 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 0.00 108 N 8.23 4.11 0.00 2.84 3.02 0.00 0.00 6.67 7.56 0.00 0.00 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 Y 7.72 3.93 0.00 3.06 3.10 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 0.00 0.00 0.00 110 L 9.10 4.72 0.00 1.74 1.75 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.78 4.53 0.00 2.80 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 0.00 112 I 7.53 4.49 1.76 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.91 0.00 0.00 113 K 8.42 3.91 0.00 1.87 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.60 7.81 114 G 8.06 3.60 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 0.00 0.00 0.00 115 L 7.32 2.96 0.00 0.27 1.02 0.47 0.21 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 0.00 116 L 7.61 3.76 0.00 1.70 1.58 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.60 4.49 0.00 2.68 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 0.00 118 V 7.87 3.87 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 0.88 0.00 0.00 1.16 0.00 0.00 119 T 8.02 3.78 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 1.14 0.00 0.00 120 C 8.87 4.16 0.00 3.17 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 0.00 121 K 8.64 3.93 0.00 1.93 1.87 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.44 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 122 T 7.40 3.86 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 1.13 0.00 0.00 123 V 7.64 3.74 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 1.17 0.00 0.00 0.84 0.00 0.00 124 A 7.97 4.04 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 0.00 125 N 8.64 4.24 0.00 2.87 2.96 0.00 0.00 7.14 6.70 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 0.00 126 M 8.68 4.25 0.00 1.97 2.52 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 127 I 8.03 4.10 1.91 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.18 0.92 0.00 0.00 128 K 7.96 3.70 0.00 1.71 1.93 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.42 7.81 129 G 8.86 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 0.00 130 K 7.50 4.69 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.49 7.81 131 T 8.23 4.53 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 1.25 0.00 0.00 132 P 0.00 4.33 0.00 2.20 2.21 0.00 3.64 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 2.12 2.19 0.00 133 E 8.31 3.94 0.00 2.05 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 2.41 2.47 0.00 134 E 8.30 4.00 0.00 2.37 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 2.35 2.34 0.00 135 I 8.60 4.03 2.09 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 1.19 1.04 0.00 0.00 136 R 8.47 3.97 0.00 2.18 2.12 0.00 3.21 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.70 0.00 137 K 8.43 4.04 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 138 T 8.97 4.03 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 1.16 0.00 0.00 139 F 8.30 4.56 0.00 3.27 3.16 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 0.00 0.00 0.00 140 N 8.20 4.10 0.00 2.72 2.80 0.00 0.00 6.90 7.86 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 0.00 141 I 7.71 4.44 1.89 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 1.17 0.91 nan 0.00 0.00 142 K 8.27 4.37 0.00 1.73 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.35 7.81 143 N 8.77 4.74 0.00 2.78 2.79 0.00 0.00 7.07 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.16 4.22 0.00 2.29 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 0.00 0.00 0.00 145 F 8.51 5.00 0.00 3.25 2.87 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 0.00 146 T 8.65 4.34 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 1.24 0.00 0.00 147 E 8.72 3.62 0.00 2.25 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 0.00 2.37 2.34 0.00 148 E 8.13 4.65 0.00 2.17 1.75 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 2.33 2.35 0.00 149 E 8.70 5.31 0.00 1.73 1.51 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 1.47 2.10 0.00 150 E 7.50 4.17 0.00 1.90 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 2.26 2.25 0.00 151 A 8.52 4.55 1.21 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 0.00 0.00 0.00 152 Q 8.32 4.66 0.00 2.10 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 153 V 8.29 3.76 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 0.84 0.00 0.00 0.92 0.00 0.00 154 R 8.51 3.96 0.00 2.03 2.11 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.