NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7539 8.2827 118.1282 53.2133 41.2382 175.8892 3 K 3.6938 8.2267 118.8721 59.1561 31.9322 176.8818 4 G 3.5611 8.7927 106.7524 48.1293 0.0000 174.9727 5 Q 4.1118 8.1553 120.8360 58.3937 28.7054 179.1863 6 R 3.6071 8.3261 119.9263 59.5632 30.0661 178.2829 7 H 4.2685 8.2575 116.1298 58.8053 28.6920 177.8745 8 I 3.7419 7.8954 121.7635 64.1885 36.8505 178.6496 9 K 3.8934 7.9262 119.3064 59.5933 31.8804 179.4468 10 I 3.6822 7.7691 119.9462 64.2516 36.8669 178.8293 11 R 3.8272 7.6620 118.6102 59.2249 29.9925 178.6063 12 E 3.8958 7.9577 118.1061 59.7202 29.5091 179.4611 13 I 3.6871 8.0076 119.9010 64.7457 36.9681 178.6017 14 I 3.7961 7.6144 119.1753 63.8851 37.0337 177.7328 15 T 4.2437 7.6115 114.5938 64.1805 68.7577 175.4834 16 S 4.5915 7.8629 115.8628 58.5813 64.9791 174.0151 17 N 5.0366 8.4474 115.9210 51.4035 41.1163 174.5589 18 E 4.3201 8.2671 122.1407 55.0172 28.7933 176.2864 19 I 4.4183 8.1121 130.9811 63.2772 36.8734 177.5355 20 E 4.0310 7.7939 121.3994 59.8619 30.3765 178.5968 21 T 4.4925 8.4928 109.3242 59.1780 71.1944 174.6609 22 Q 3.8791 8.7495 125.5382 59.5828 29.3475 178.5076 23 D 4.3569 7.7129 114.9923 57.2689 41.1728 177.9706 24 E 3.9844 8.4571 119.5663 59.2938 29.4202 178.9043 25 L 3.9684 7.5564 119.7304 58.3280 42.0351 179.3257 26 V 3.6408 7.6808 117.8697 65.6982 31.3574 177.6723 27 D 4.2769 8.0889 118.0232 57.4358 40.9201 177.9831 28 M 4.0453 7.9454 117.3377 58.4335 32.3411 178.2115 29 L 4.1568 8.0048 121.3204 58.5638 41.6447 180.2568 30 K 4.8029 7.7360 123.3393 59.3273 31.5541 180.1005 31 Q 4.3508 7.9624 119.3576 58.7316 29.2358 176.5965 32 D 4.7779 7.7640 118.1089 53.0429 42.5787 177.3629 33 G 3.7870 8.3537 108.8503 45.5419 0.0000 174.3723 34 Y 4.5387 7.7022 116.1107 56.2930 42.0122 176.8780 35 K 4.7415 8.5067 128.2621 55.5022 31.8479 176.1488 36 V 3.9473 7.3857 119.6300 62.1896 33.2381 176.6274 37 T 4.5589 7.9440 111.1312 60.2856 72.3868 175.5384 38 Q 4.0357 8.4265 119.4362 58.8541 28.4496 178.7120 39 A 4.0797 7.9579 121.4140 54.9885 18.3758 179.6375 40 T 4.0093 7.5340 113.4423 66.4124 68.7337 177.2308 41 V 3.9105 7.8275 121.2263 65.5951 31.1560 178.3042 42 S 4.1917 7.9365 113.0226 61.0611 62.4856 176.2045 43 R 3.7975 7.3851 122.8268 59.1835 29.7928 177.9356 44 D 4.3982 8.4767 119.0125 56.8402 40.6840 178.8608 45 I 3.6996 7.7783 120.8024 64.3460 36.8509 178.5695 46 K 3.9660 7.5641 119.0264 59.4050 31.6145 179.3892 47 E 3.8783 7.6825 118.2546 59.2073 29.5116 178.8602 48 L 4.0798 7.7942 116.7835 54.9837 42.1428 176.4128 49 H 4.0856 7.5793 114.6062 56.6127 26.2657 175.1219 50 L 4.1807 8.0258 119.6508 55.2381 42.4026 177.4104 51 V 4.5353 8.2130 122.1843 61.6039 35.8610 172.8791 52 K 5.6416 8.4722 119.1900 53.7352 34.8739 176.4866 53 V 3.9450 8.1213 124.0017 60.3633 34.1463 173.1905 54 P 4.2169 0.0000 0.0000 63.2636 31.3080 175.9926 55 T 4.6065 8.1892 120.5924 61.3296 70.5568 175.4113 56 N 4.5000 9.0406 122.6212 54.8185 37.1099 175.3142 57 N 4.9572 8.4130 117.0205 52.4720 38.7395 180.2012 58 G 4.0635 8.4243 105.7724 46.9935 0.0000 174.2186 59 S 4.7651 8.0395 117.1615 57.4319 65.3267 173.8728 *60 Y 4.4258 8.1335 120.5676 55.4445 38.1328 176.5697 61 K 4.6893 8.1204 120.4154 55.3808 33.7395 175.3785 62 Y 5.1661 9.1680 124.1352 55.2724 36.9983 175.2888 63 S 4.7037 7.6185 123.3672 58.0729 64.0538 172.6464 64 L 4.5760 8.0149 119.3363 53.1371 43.5279 176.6723 65 P 4.3286 0.0000 0.0000 65.6500 31.4208 178.3727 66 A 4.2097 7.4178 117.2377 54.1613 18.7526 178.6698 67 D 4.7460 8.4210 117.7435 53.8428 38.4405 183.0674 68 Q 4.5244 7.6980 121.7653 56.3946 27.7033 178.4879 69 R 4.7981 7.3791 109.8465 55.2661 31.0320 177.7899 70 F 4.6104 8.1628 117.0376 59.0042 40.2501 172.5691 71 N 4.8824 8.0913 116.0533 50.3174 40.1913 174.3162 72 P 4.4300 0.0000 0.0000 62.3422 32.3747 176.1213 73 L 4.3142 8.3780 118.4979 57.3961 42.0751 179.2204 74 S 4.1620 7.9552 114.0523 61.6516 62.7154 175.9767 75 K 3.8991 7.7355 121.8173 59.1145 31.7466 178.2843 76 L 3.9681 7.9732 122.9511 57.8955 42.0047 179.3670 77 K 4.0252 8.0147 125.8188 60.4493 31.6550 182.3761 78 R 4.1357 8.0661 121.7388 61.2496 29.3424 180.6272 79 A 4.2036 7.5074 121.3680 55.0048 18.4084 179.7931 80 L 4.0232 8.1164 117.3880 58.4180 41.5652 179.7459 81 M 4.3294 8.2642 117.3940 58.0687 31.8704 177.7949 82 D 4.6729 7.8920 117.1803 54.8916 41.9151 176.9003 83 A 4.6530 7.9342 119.7724 51.2307 20.7514 175.7575 84 F 4.3727 8.6807 118.8403 58.8512 39.8423 174.7349 85 V 4.2099 6.9817 124.7125 63.8531 34.1911 175.0195 86 K 4.1717 6.6650 117.9900 55.7355 36.2714 173.7911 87 I 5.1348 8.3111 123.9070 59.6823 41.2024 173.5708 88 D 5.1524 9.1435 127.5480 52.8436 45.3245 174.2603 89 S 5.0956 8.4602 112.8590 57.7364 65.9743 172.7443 90 A 4.5036 8.5530 124.5263 51.7447 21.2782 175.7380 91 S 3.3403 7.5331 104.6048 59.6554 63.9736 174.6014 92 H 5.3659 8.3039 118.2556 54.2102 32.2359 173.5828 93 M 5.0412 8.0097 118.9003 53.8717 34.1682 174.8678 94 I 4.8443 8.8307 124.5490 59.5081 40.4136 174.7132 95 V 4.6324 8.5452 127.5910 61.3694 33.1679 174.1002 96 L 4.9345 9.1180 132.0480 53.4814 43.6213 175.1244 97 K 4.9775 8.5641 126.7359 55.4093 34.1702 175.9995 98 T 4.9469 8.2062 113.4932 59.6840 72.3573 172.9784 99 M 4.2386 8.5832 120.8915 54.7071 33.3626 174.0185 100 P 4.2596 0.0000 0.0000 64.2591 31.9465 176.2641 101 G 3.9806 9.0750 109.3990 46.9260 0.0000 174.1775 102 N 4.9211 7.7777 115.1149 51.5977 41.2126 176.8800 103 A 3.9420 8.2130 120.4098 55.2680 18.4596 179.1192 104 Q 3.9071 8.1725 115.7564 59.1920 28.8328 179.1364 105 A 3.9267 7.9309 120.7618 55.3214 18.4423 179.3145 106 I 3.7021 7.7661 118.3078 64.5568 37.2070 178.5548 107 G 3.6726 8.3144 106.3139 48.1041 0.0000 175.2238 108 A 4.0011 7.7107 122.6076 54.6679 18.5834 179.5362 109 L 4.0138 7.7343 117.1252 58.3680 41.8791 179.6851 110 M 3.7833 8.1840 118.7285 58.1708 31.6012 178.0783 111 D 4.4808 7.8622 117.2145 55.7152 41.1165 177.0885 112 N 4.7197 7.4957 115.8375 52.9460 39.0513 175.7339 113 L 3.8546 7.2676 121.2872 56.4154 42.3184 176.2087 114 D 4.2529 7.5746 115.8406 54.4773 36.8172 172.7645 115 W 5.0281 7.4686 119.4742 54.8346 30.9639 177.4810 116 D 4.4762 9.0762 124.0802 57.5777 40.8242 178.1529 117 E 4.3723 8.7839 117.9335 58.7483 29.6794 176.4592 118 M 4.8267 7.7071 115.1188 54.5415 32.3319 175.9727 119 M 4.3122 9.0563 119.3427 54.6491 32.4398 176.0886 120 G 4.4614 6.8109 110.5401 46.4140 0.0000 171.2878 121 T 5.0326 8.0271 109.9948 59.6261 71.9632 172.8401 122 I 4.5324 8.4870 124.4079 59.4338 40.5697 173.8177 123 C 5.2197 8.8238 126.0854 58.0538 31.2999 173.4387 124 G 4.0468 8.7270 111.5658 43.4462 0.0000 172.2548 125 D 4.4375 8.3023 119.2728 56.7937 40.2067 175.6133 126 D 4.9158 9.5918 125.6951 52.8504 37.6288 174.8438 127 T 5.1256 7.5921 116.1187 62.1753 73.1947 172.5382 128 I 4.8283 9.1540 126.7530 59.3282 40.7421 174.0989 129 L 5.0572 8.8723 129.3985 53.5727 43.9402 174.8321 130 I 4.7908 8.8690 128.1181 59.6999 39.8663 174.7910 131 I 4.9489 8.2254 126.9509 59.7996 39.7052 174.4382 132 C 5.1222 8.8013 124.6561 57.9250 30.3595 174.1569 133 R 3.9491 8.9301 121.5260 59.1445 30.2655 177.6272 134 T 4.7926 7.5610 106.7109 59.1707 73.0886 173.1287 135 P 4.5769 0.0000 0.0000 65.1148 31.2713 178.8696 136 E 3.9623 8.1003 117.0007 59.6502 29.4136 178.9817 137 D 4.4095 7.9250 118.2698 57.6008 40.7571 178.7163 138 T 3.9689 7.8371 116.4783 66.7189 68.4882 176.1688 139 E 4.0619 8.2557 119.8120 59.4793 29.5702 179.8140 140 G 3.5500 8.0070 105.5075 47.9044 0.0000 175.9102 141 V 3.5098 7.9456 121.6872 65.3255 31.2982 178.2462 142 K 4.1331 8.4151 118.6430 59.7719 32.1682 178.8808 143 N 4.4144 8.0225 117.9938 56.0663 38.4511 177.2783 144 R 3.9477 7.8440 118.9537 59.2334 30.2466 178.4507 145 L 4.2250 7.9882 118.8543 57.9591 41.7942 179.4044 146 L 3.7952 7.5137 117.5019 57.5721 41.3133 178.8167 147 E 4.0841 8.2498 117.6675 57.8331 29.6406 177.5987 148 L 4.4068 7.8092 117.4421 55.8125 42.3596 176.3119 149 L 4.0579 7.4838 123.6115 54.8816 41.5232 176.6545 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 N 8.28 4.75 0.00 2.79 3.00 0.00 0.00 6.61 6.96 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 3 K 8.23 3.69 0.00 1.87 1.77 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.44 7.81 4 G 8.79 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.16 4.11 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 6 R 8.33 3.61 0.00 2.11 2.13 0.00 3.12 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.00 7 H 8.26 4.27 0.00 3.39 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.90 3.74 2.05 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 1.53 1.18 0.96 0.00 0.00 9 K 7.93 3.89 0.00 1.68 1.55 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.38 7.81 10 I 7.77 3.68 1.96 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 1.44 0.67 0.87 0.00 0.00 11 R 7.66 3.83 0.00 2.01 1.95 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 12 E 7.96 3.90 0.00 2.18 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 2.32 2.48 0.00 13 I 8.01 3.69 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.94 0.90 0.00 0.00 14 I 7.61 3.80 1.86 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 1.76 0.72 0.81 0.00 0.00 15 T 7.61 4.24 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 1.18 0.00 0.00 16 S 7.86 4.59 0.00 3.90 3.86 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 17 N 8.45 5.04 0.00 2.78 2.69 0.00 0.00 6.87 8.15 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 18 E 8.27 4.32 0.00 1.88 1.88 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 2.34 2.27 0.00 19 I 8.11 4.42 2.05 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 1.45 0.57 1.02 0.00 0.00 20 E 7.79 4.03 0.00 2.12 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 2.45 2.47 0.00 21 T 8.49 4.49 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 1.21 0.00 0.00 22 Q 8.75 3.88 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 23 D 7.71 4.36 0.00 2.78 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 24 E 8.46 3.98 0.00 2.17 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 2.34 2.32 0.00 25 L 7.56 3.97 0.00 1.92 1.74 0.92 0.81 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 26 V 7.68 3.64 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 0.95 0.00 0.00 0.96 0.00 0.00 27 D 8.09 4.28 0.00 2.78 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 28 M 7.95 4.05 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 29 L 8.00 4.16 0.00 1.71 1.73 0.87 0.54 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 30 K 7.74 4.80 0.00 1.87 1.75 0.00 1.79 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.20 7.81 31 Q 7.96 4.35 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 32 D 7.76 4.78 0.00 3.11 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 33 G 8.35 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 34 Y 7.70 4.54 0.00 3.16 2.85 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 35 K 8.51 4.74 0.00 1.86 1.85 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.34 7.81 36 V 7.39 3.95 2.15 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 0.79 0.00 0.00 0.96 0.00 0.00 37 T 7.94 4.56 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 38 Q 8.43 4.04 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 39 A 7.96 4.08 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 40 T 7.53 4.01 4.39 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 1.31 0.00 0.00 41 V 7.83 3.91 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 1.24 0.00 0.00 1.03 0.00 0.00 42 S 7.94 4.19 0.00 4.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.39 3.80 0.00 2.11 2.16 0.00 3.10 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 44 D 8.48 4.40 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 45 I 7.78 3.70 2.00 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 1.51 0.92 0.91 0.00 0.00 46 K 7.56 3.97 0.00 1.62 1.83 0.00 1.66 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 1.45 1.65 7.81 47 E 7.68 3.88 0.00 1.95 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 0.00 2.33 2.55 0.00 48 L 7.79 4.08 0.00 1.60 1.66 0.81 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.58 4.09 0.00 3.31 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.03 4.18 0.00 1.53 1.65 0.92 0.94 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 51 V 8.21 4.54 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 0.99 0.00 0.00 1.01 0.00 0.00 52 K 8.47 5.64 0.00 1.62 1.84 0.00 1.82 0.00 0.00 2.28 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.24 7.81 53 V 8.12 3.94 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 0.50 0.00 0.00 0.68 0.00 0.00 54 P 0.00 4.22 0.00 2.11 2.03 0.00 3.15 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 55 T 8.19 4.61 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 56 N 9.04 4.50 0.00 2.82 2.94 0.00 0.00 5.79 8.04 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 57 N 8.41 4.96 0.00 2.60 2.76 0.00 0.00 6.94 7.13 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 58 G 8.42 4.06 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 0.00 0.00 0.00 59 S 8.04 4.77 0.00 3.86 3.80 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 *60 Y 8.13 4.43 0.00 2.33 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 0.00 0.00 0.00 0.00 61 K 8.12 4.69 0.00 1.93 1.97 0.00 1.06 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.52 7.81 62 Y 9.17 5.17 0.00 3.18 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 63 S 7.62 4.70 0.00 3.74 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 64 L 8.01 4.58 0.00 1.72 1.47 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.33 0.00 2.23 2.11 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 66 A 7.42 4.21 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 67 D 8.42 4.75 0.00 2.67 2.54 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 68 Q 7.70 4.52 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.49 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 69 R 7.38 4.80 0.00 1.77 1.71 0.00 3.30 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 70 F 8.16 4.61 0.00 2.95 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 71 N 8.09 4.88 0.00 2.73 2.72 0.00 0.00 7.14 8.02 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 72 P 0.00 4.43 0.00 2.16 1.98 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 73 L 8.38 4.31 0.00 1.82 1.69 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.96 4.16 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.74 3.90 0.00 1.93 2.01 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.49 7.81 76 L 7.97 3.97 0.00 1.78 1.91 0.90 0.72 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 77 K 8.01 4.03 0.00 1.80 1.80 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.08 7.81 78 R 8.07 4.14 0.00 1.82 1.98 0.00 3.25 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 1.57 1.54 0.00 79 A 7.51 4.20 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 80 L 8.12 4.02 0.00 2.08 1.75 1.01 0.87 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 81 M 8.26 4.33 0.00 1.97 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 2.84 2.56 0.00 82 D 7.89 4.67 0.00 2.64 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 A 7.93 4.65 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 84 F 8.68 4.37 0.00 3.14 3.01 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 0.00 0.00 0.00 85 V 6.98 4.21 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 0.75 0.00 0.00 0.94 0.00 0.00 86 K 6.66 4.17 0.00 1.63 1.39 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.17 1.24 7.81 87 I 8.31 5.13 2.21 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 1.14 0.00 0.00 88 D 9.14 5.15 0.00 2.59 2.50 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 89 S 8.46 5.10 0.00 3.85 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 0.00 90 A 8.55 4.50 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 91 S 7.53 3.34 0.00 3.94 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 92 H 8.30 5.37 0.00 3.08 3.59 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 M 8.01 5.04 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 94 I 8.83 4.84 1.92 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 1.16 0.76 1.02 0.00 0.00 95 V 8.55 4.63 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 0.91 0.00 0.00 0.94 0.00 0.00 96 L 9.12 4.93 0.00 1.79 1.53 1.14 0.62 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 97 K 8.56 4.98 0.00 1.68 1.55 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.54 7.81 98 T 8.21 4.95 4.32 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 1.18 0.00 0.00 99 M 8.58 4.24 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 100 P 0.00 4.26 0.00 2.07 1.98 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 101 G 9.08 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 0.00 0.00 0.00 0.00 102 N 7.78 4.92 0.00 3.01 2.79 0.00 0.00 6.94 7.48 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 0.00 103 A 8.21 3.94 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 0.00 104 Q 8.17 3.91 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 105 A 7.93 3.93 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 0.00 106 I 7.77 3.70 1.99 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 1.81 0.98 0.92 0.00 0.00 107 G 8.31 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 0.00 108 A 7.71 4.00 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 0.00 109 L 7.73 4.01 0.00 1.94 1.66 0.90 0.94 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 0.00 110 M 8.18 3.78 0.00 1.78 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.42 0.00 111 D 7.86 4.48 0.00 2.76 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 N 7.50 4.72 0.00 2.73 2.76 0.00 0.00 6.99 7.36 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 0.00 113 L 7.27 3.85 0.00 0.76 0.74 -0.45 0.82 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 0.00 114 D 7.57 4.25 0.00 2.87 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 0.00 115 W 7.47 5.03 0.00 3.40 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 0.00 116 D 9.08 4.48 0.00 2.68 2.79 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 0.00 117 E 8.78 4.37 0.00 2.19 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 2.36 2.32 0.00 118 M 7.71 4.83 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 119 M 9.06 4.31 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 120 G 6.81 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 5.03 4.22 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 1.18 0.00 0.00 122 I 8.49 4.53 1.87 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 1.22 1.66 0.94 0.00 0.00 123 C 8.82 5.22 0.00 2.98 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 0.00 124 G 8.73 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 0.00 0.00 0.00 125 D 8.30 4.44 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.59 4.92 0.00 2.89 3.31 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 0.00 0.00 0.00 0.00 127 T 7.59 5.13 4.22 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 1.19 0.00 0.00 128 I 9.15 4.83 1.87 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 1.10 0.74 0.91 0.00 0.00 129 L 8.87 5.06 0.00 1.66 1.65 0.93 1.00 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 0.00 130 I 8.87 4.79 1.92 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 1.25 0.65 0.97 0.00 0.00 131 I 8.23 4.95 1.89 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 1.24 0.62 0.92 0.00 0.00 132 C 8.80 5.12 0.00 2.88 2.94 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 0.00 0.00 0.00 133 R 8.93 3.95 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.50 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 134 T 7.56 4.79 4.41 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 1.24 0.00 0.00 135 P 0.00 4.58 0.00 2.14 2.07 0.00 3.87 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 2.05 1.79 0.00 136 E 8.10 3.96 0.00 2.05 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 2.39 2.45 0.00 137 D 7.93 4.41 0.00 2.92 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 0.00 138 T 7.84 3.97 4.44 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 0.00 0.00 1.28 0.00 0.00 139 E 8.26 4.06 0.00 2.00 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 2.48 2.48 0.00 140 G 8.01 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 0.00 141 V 7.95 3.51 2.17 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 1.39 0.00 0.00 1.09 0.00 0.00 142 K 8.42 4.13 0.00 2.11 2.19 0.00 1.26 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.74 7.81 143 N 8.02 4.41 0.00 3.02 2.85 0.00 0.00 6.48 7.70 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 0.00 144 R 7.84 3.95 0.00 1.72 1.86 0.00 2.21 0.00 0.00 2.61 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 145 L 7.99 4.23 0.00 1.99 1.78 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.51 3.80 0.00 1.84 1.64 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.25 4.08 0.00 2.02 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 2.29 2.31 0.00 148 L 7.81 4.41 0.00 1.81 1.69 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.48 4.06 0.00 1.58 1.40 -0.09 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.