NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.8661 0.0000 0.0000 62.7944 33.5377 174.0194 2 I 4.8888 8.2193 119.1348 58.1052 39.8943 170.3566 3 V 4.5553 8.9901 125.4438 60.0141 35.8392 173.4698 4 Q 4.9996 8.5737 122.8205 54.8513 30.5315 175.1854 5 N 4.8098 8.8541 124.5671 51.4338 39.5836 175.4468 6 L 4.1040 8.2920 116.7291 57.2303 41.7286 178.1380 7 Q 4.1286 8.1697 116.0827 56.3531 29.1331 176.6337 8 G 3.9458 8.3914 106.5303 44.9842 0.0000 173.2860 9 Q 4.5324 8.2947 118.8343 54.8315 31.0100 174.6698 10 M 4.8443 8.4278 121.7682 54.8852 33.0445 175.9806 11 V 4.6031 8.8552 116.3680 59.4460 36.9182 174.2262 12 H 4.7941 8.7909 121.6924 56.3185 30.5465 173.9776 13 Q 4.6238 8.3354 125.7900 54.0325 31.0399 175.2674 14 A 4.2481 8.5362 128.7866 51.2734 19.4318 177.0071 15 I 3.7234 8.1605 121.0424 61.5097 37.6915 177.4413 16 S 4.4016 8.4640 120.1742 57.2529 65.2178 173.2732 17 P 4.2501 0.0000 0.0000 66.0175 31.1435 179.0044 18 R 3.9717 7.9953 114.0706 59.6835 29.1746 178.8613 19 T 3.8709 7.9752 116.4118 66.2756 68.4848 176.5338 20 L 4.0881 8.2218 122.4658 58.1140 42.2016 178.5465 21 N 4.3165 8.7378 116.7211 56.4332 38.4471 177.1895 22 A 4.0347 8.1634 121.9845 54.8754 18.4066 179.5008 23 W 4.3657 8.5816 127.1201 60.6106 30.8086 178.1455 24 V 3.3083 7.9923 118.2789 66.1276 30.9733 178.2196 25 K 4.1187 7.9067 117.7594 59.2970 31.8091 179.5798 26 V 3.4640 7.9516 118.8844 65.8213 31.4288 178.2089 27 V 2.8750 7.3109 118.2624 65.7845 31.0496 177.3301 28 E 3.7361 7.9968 117.9619 59.0430 29.4177 177.6507 29 E 4.2991 7.6920 116.6170 56.6762 30.6037 176.4113 30 K 4.3262 8.1350 116.1670 55.6729 34.4964 175.9409 31 A 3.2705 7.4940 122.7606 51.8102 19.0442 177.9859 32 F 4.4932 6.1321 121.6805 56.0572 39.5768 175.1947 33 S 4.6134 8.1084 117.2441 57.3360 64.1436 174.1996 34 P 4.3447 0.0000 0.0000 66.1230 29.1845 178.3184 35 E 4.0668 8.3191 118.1266 59.1569 29.2765 179.3826 36 V 4.0081 7.9587 119.4151 64.5827 31.2631 178.5170 37 I 3.8294 7.8262 120.5406 64.0956 37.0688 176.5998 38 P 4.2987 0.0000 0.0000 65.6886 31.0658 178.7464 39 M 4.0779 7.6786 116.3421 58.3985 31.9578 178.2572 40 F 3.9781 8.8959 121.2128 61.5784 39.2749 177.2182 41 S 3.8262 8.2535 113.4165 61.4568 62.9127 176.4421 42 A 4.0376 7.8572 123.1778 55.2270 18.0706 179.8213 43 L 3.9767 7.9787 116.5561 57.0884 41.8176 178.8088 44 S 4.2083 7.3284 112.8977 56.7730 63.0502 173.3797 45 E 3.7834 7.1274 124.2253 58.1676 29.6141 177.2015 46 G 3.8153 8.9190 112.9138 45.4409 0.0000 172.7903 47 A 4.1157 7.8842 124.3332 51.8476 19.0317 178.1194 48 T 4.3139 8.7191 113.4239 60.6182 71.0601 174.0722 49 P 4.5361 0.0000 0.0000 66.0331 31.2637 178.5671 50 Q 3.9976 8.6674 118.3050 59.5267 28.9469 178.3497 51 D 4.4013 8.0987 119.5829 57.1720 40.7181 178.6766 52 L 3.8928 8.3527 120.0316 58.0225 41.6350 179.3976 53 N 4.4365 8.6088 116.5157 56.4680 38.1934 177.6633 54 T 3.9316 7.8853 116.5281 66.9094 68.6627 176.1974 55 M 4.3254 8.1831 120.5739 58.5503 31.8248 178.8934 56 L 4.2378 8.2727 119.2445 57.7636 41.6249 178.6063 57 N 4.7611 8.2508 113.6735 54.7208 38.7888 176.8803 58 T 4.3697 7.7353 117.3777 64.6850 68.7127 174.7443 59 V 3.6234 7.4650 121.2313 62.7751 31.4724 175.3107 60 G 4.0168 8.5340 116.7072 44.9151 0.0000 174.9358 61 G 3.7147 8.5775 109.9945 46.6877 0.0000 172.7794 62 H 4.2931 8.5959 110.3842 56.7386 26.9841 176.9790 63 Q 4.0397 8.2486 118.8896 58.9559 28.7985 177.8780 64 A 4.0000 8.0933 121.0807 55.2309 18.4364 179.3216 65 A 3.9689 8.1285 118.7008 55.7191 18.4451 179.6579 66 M 3.9866 8.3374 117.2556 58.4048 32.0027 178.8031 67 Q 3.9632 8.2436 119.8876 59.3700 29.1758 177.9824 68 M 4.0267 8.1084 119.3533 58.2947 32.1752 177.9214 69 L 3.8421 8.2035 121.0125 57.9572 42.2925 178.6919 70 K 3.8921 8.3395 119.9078 59.7391 32.0821 178.3844 71 E 3.9654 8.2770 118.5883 59.7167 29.4050 179.4518 72 T 3.8037 8.0730 115.7200 66.7635 68.4721 176.5497 73 I 3.8342 7.9606 121.6710 64.6599 37.1748 178.2204 74 N 4.2731 8.2605 117.1366 56.2639 38.3256 177.1370 75 E 3.8319 8.1076 120.6888 59.2633 29.6965 178.7145 76 E 3.4794 7.9172 118.3932 59.0098 29.1812 179.2188 77 A 3.5099 7.5794 120.8168 54.9176 18.2928 179.6134 78 A 3.9624 7.8261 119.3287 55.1992 18.4023 179.7640 79 E 3.8626 8.2337 117.3058 59.0231 29.4938 179.0103 80 W 4.2918 8.4135 128.9567 60.8822 30.4777 177.5507 81 D 4.4382 7.8326 116.7931 57.6393 40.3740 178.7013 82 R 3.9926 7.5650 117.7472 59.1442 30.2165 177.8936 83 L 4.1562 7.7877 116.3813 55.4269 43.2140 176.7410 84 H 4.6616 7.3258 115.0258 52.9799 28.9141 171.5338 85 P 4.3577 0.0000 0.0000 62.7155 32.2980 176.5541 86 V 4.5211 7.7930 113.3625 59.6995 35.2104 175.3172 87 H 4.1941 8.2592 117.9616 58.8594 28.9129 176.4534 *96 M 4.2198 7.5198 126.4016 54.7637 31.9752 175.0906 97 R 4.1889 8.3119 120.7224 55.6754 30.3490 177.1231 98 E 4.1921 8.6070 119.9470 55.5612 30.2186 175.1817 99 P 4.0411 0.0000 0.0000 62.4867 32.1721 176.8700 100 R 4.7266 9.6984 121.5189 54.5891 33.0554 177.9950 101 G 3.9825 9.5639 107.1111 48.5462 0.0000 176.1170 102 S 4.2529 8.0726 115.7839 60.5596 63.0722 176.0534 103 D 4.4103 7.8316 122.7488 57.2662 40.5588 178.3881 104 I 3.2615 7.3661 119.0173 64.0971 37.0353 176.9056 105 A 2.5800 7.6643 120.2224 51.7464 18.2665 178.1676 106 G 3.9714 7.6577 104.4350 45.6275 0.0000 174.8024 107 T 4.2276 7.7358 110.1064 62.7958 69.3937 175.6631 108 T 4.5163 7.9198 109.2651 60.9325 70.0597 173.7235 109 S 5.0507 7.8344 116.9389 56.9492 65.3687 174.5048 110 T 4.2692 8.4774 113.4126 60.8058 71.0722 175.6041 111 L 3.8442 8.3546 123.2049 58.6317 41.9245 179.0471 112 Q 3.8824 7.9214 118.6947 59.1897 29.0467 177.8903 113 E 3.3231 7.9854 119.5605 59.0631 29.2822 179.3208 114 Q 4.2366 7.7775 117.9992 59.2079 28.8502 178.9820 115 I 3.7964 7.7832 120.8501 64.3063 36.5921 178.6716 116 G 3.5199 8.0784 106.6841 47.4889 0.0000 175.8709 117 W 4.3636 7.9248 121.0851 60.0522 28.9830 178.6258 118 M 4.1631 8.2856 117.4140 57.5931 31.3791 177.3628 119 T 4.5120 7.4494 106.2416 61.2182 69.4958 173.9094 120 H 4.1987 7.8674 121.6121 56.5302 30.3690 173.8868 121 N 4.9249 8.0495 122.9261 51.2166 38.8638 172.4991 122 P 4.7232 0.0000 0.0000 60.5974 33.0655 174.2374 123 P 4.6948 0.0000 0.0000 62.3229 31.6610 176.9442 124 I 4.3170 8.3650 123.7111 59.2600 37.5038 175.1004 125 P 4.6042 0.0000 0.0000 61.4414 28.1678 176.7800 126 V 3.3317 7.6639 117.1366 64.9673 31.9791 178.4258 127 G 3.5943 7.7867 106.2999 47.3194 0.0000 175.5230 128 E 3.9698 7.9995 120.9582 58.9126 29.5473 179.4395 129 I 3.3500 7.6050 119.8336 64.4199 37.0264 177.7604 130 Y 3.5081 7.3382 120.1695 60.4746 38.4237 178.2491 131 K 3.9175 8.3961 119.7315 59.4055 32.0935 179.1504 132 R 3.9371 7.8311 118.8006 59.3479 30.0596 178.5820 133 W 4.4489 7.9386 118.4766 59.9371 29.0426 178.4546 134 I 3.6615 8.2110 120.0601 64.5062 36.5294 178.5542 135 I 3.6632 8.1753 120.8857 64.1262 36.8365 177.8860 136 L 4.0477 8.2374 121.5497 58.4901 41.8557 179.4636 137 G 3.5688 8.1891 105.2042 47.7708 0.0000 175.6381 138 L 3.8610 8.2609 121.8678 57.6274 41.3948 179.4112 139 N 4.4008 8.4954 115.8079 56.0124 38.5976 177.4353 140 K 4.1523 7.8085 119.9585 59.5871 32.1175 179.5237 141 I 3.8002 7.8478 120.0855 64.1960 36.9442 178.4149 142 V 4.4852 7.9576 120.6426 65.6799 30.9666 178.2958 143 R 4.0507 7.7571 116.4518 59.0828 29.9410 178.3148 144 M 4.1820 8.3087 117.5070 56.8948 32.0232 175.9264 145 Y 4.1822 7.9338 121.6960 57.9724 38.5927 175.3002 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 1 P 0.00 4.87 0.00 2.07 2.24 0.00 3.77 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 2.01 1.79 0.00 2 I 8.22 4.89 1.85 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 1.41 0.79 0.95 0.00 0.00 3 V 8.99 4.56 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 0.86 0.00 0.00 0.91 0.00 0.00 4 Q 8.57 5.00 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 5 N 8.85 4.81 0.00 2.95 2.95 0.00 0.00 6.68 6.24 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 6 L 8.29 4.10 0.00 1.65 1.76 0.91 0.86 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 7 Q 8.17 4.13 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 8 G 8.39 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 9 Q 8.29 4.53 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 10 M 8.43 4.84 0.00 1.89 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 2.56 2.50 0.00 11 V 8.86 4.60 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 0.70 0.00 0.00 0.98 0.00 0.00 12 H 8.79 4.79 0.00 3.11 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.34 4.62 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 14 A 8.54 4.25 1.26 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 0.00 0.00 15 I 8.16 3.72 1.88 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 1.43 0.68 0.90 0.00 0.00 16 S 8.46 4.40 0.00 4.04 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 0.00 17 P 0.00 4.25 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 18 R 8.00 3.97 0.00 2.04 2.20 0.00 2.97 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 19 T 7.98 3.87 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 1.18 0.00 0.00 20 L 8.22 4.09 0.00 1.96 1.72 1.04 1.00 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 21 N 8.74 4.32 0.00 2.89 2.87 0.00 0.00 6.91 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 22 A 8.16 4.03 1.41 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 0.00 0.00 23 W 8.58 4.37 0.00 3.38 3.28 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 24 V 7.99 3.31 2.20 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 0.86 0.00 0.00 1.02 0.00 0.00 25 K 7.91 4.12 0.00 2.00 1.80 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.55 7.81 26 V 7.95 3.46 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 1.02 0.00 0.00 1.04 0.00 0.00 27 V 7.31 2.88 1.65 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 0.55 0.00 0.00 -0.45 0.00 0.00 28 E 8.00 3.74 0.00 1.83 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 2.25 2.27 0.00 29 E 7.69 4.30 0.00 1.95 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 2.19 2.28 0.00 30 K 8.13 4.33 0.00 1.74 1.66 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.26 7.81 31 A 7.49 3.27 -0.09 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 0.00 0.00 0.00 0.00 0.00 32 F 6.13 4.49 0.00 2.33 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 33 S 8.11 4.61 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.32 2.40 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 35 E 8.32 4.07 0.00 2.07 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 2.41 2.45 0.00 36 V 7.96 4.01 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 1.17 0.00 0.00 0.98 0.00 0.00 37 I 7.83 3.83 2.07 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 1.60 0.77 1.02 0.00 0.00 38 P 0.00 4.30 0.00 2.19 2.14 0.00 3.79 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 2.15 2.22 0.00 39 M 7.68 4.08 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.88 0.00 40 F 8.90 3.98 0.00 3.32 3.41 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 41 S 8.25 3.83 0.00 4.08 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 42 A 7.86 4.04 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 43 L 7.98 3.98 0.00 1.54 1.66 1.18 0.80 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 44 S 7.33 4.21 0.00 3.46 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 45 E 7.13 3.78 0.00 1.88 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 2.26 2.20 0.00 46 G 8.92 3.82 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 0.00 0.00 0.00 47 A 7.88 4.12 1.20 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 0.00 0.00 0.00 48 T 8.72 4.31 4.47 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 0.00 0.00 0.00 1.25 0.00 0.00 49 P 0.00 4.54 0.00 2.21 2.34 0.00 3.82 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 2.14 2.18 0.00 50 Q 8.67 4.00 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 51 D 8.10 4.40 0.00 2.86 2.67 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 52 L 8.35 3.89 0.00 1.79 1.39 0.80 0.37 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 53 N 8.61 4.44 0.00 2.99 2.96 0.00 0.00 7.07 7.91 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 54 T 7.89 3.93 4.47 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 0.00 0.00 0.00 1.26 0.00 0.00 55 M 8.18 4.33 0.00 1.37 2.06 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.26 0.00 56 L 8.27 4.24 0.00 1.76 1.79 0.88 0.77 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 57 N 8.25 4.76 0.00 2.90 2.93 0.00 0.00 7.09 7.16 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 58 T 7.74 4.37 4.85 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 1.32 0.00 0.00 59 V 7.47 3.62 2.35 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 0.89 0.00 0.00 1.22 0.00 0.00 60 G 8.53 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 0.00 0.00 0.00 61 G 8.58 3.71 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 0.00 0.00 0.00 62 H 8.60 4.29 0.00 3.58 3.71 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.25 4.04 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 64 A 8.09 4.00 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 65 A 8.13 3.97 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 66 M 8.34 3.99 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.02 0.00 67 Q 8.24 3.96 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 68 M 8.11 4.03 0.00 2.22 2.12 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 2.58 2.51 0.00 69 L 8.20 3.84 0.00 1.72 1.78 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.34 3.89 0.00 1.98 1.98 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.54 7.81 71 E 8.28 3.97 0.00 2.19 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 2.32 2.36 0.00 72 T 8.07 3.80 4.40 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 1.23 0.00 0.00 73 I 7.96 3.83 2.14 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 1.90 0.98 1.19 0.00 0.00 74 N 8.26 4.27 0.00 2.88 2.84 0.00 0.00 6.70 7.16 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 75 E 8.11 3.83 0.00 1.98 2.11 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 2.20 2.28 0.00 76 E 7.92 3.48 0.00 1.21 1.12 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 2.24 2.16 0.00 77 A 7.58 3.51 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 78 A 7.83 3.96 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 79 E 8.23 3.86 0.00 2.00 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 2.37 2.38 0.00 80 W 8.41 4.29 0.00 3.62 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 81 D 7.83 4.44 0.00 2.89 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 82 R 7.56 3.99 0.00 1.83 2.05 0.00 3.22 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 L 7.79 4.16 0.00 1.34 1.39 0.86 0.78 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 84 H 7.33 4.66 0.00 2.69 2.95 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.36 0.00 1.97 1.93 0.00 3.49 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 86 V 7.79 4.52 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 0.80 0.00 0.00 0.95 0.00 0.00 87 H 8.26 4.19 0.00 3.16 3.28 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 M 7.52 4.22 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 97 R 8.31 4.19 0.00 2.08 2.03 0.00 3.22 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 98 E 8.61 4.19 0.00 2.01 1.92 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 0.00 2.36 2.27 0.00 99 P 0.00 4.04 0.00 1.27 0.49 0.00 3.45 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.00 100 R 9.70 4.73 0.00 1.77 2.30 0.00 3.36 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 101 G 9.56 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 S 8.07 4.25 0.00 4.07 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 0.00 103 D 7.83 4.41 0.00 2.65 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 0.00 104 I 7.37 3.26 1.54 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.01 -0.36 0.00 0.00 105 A 7.66 2.58 1.06 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 0.00 106 G 7.66 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 0.00 0.00 0.00 0.00 107 T 7.74 4.23 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 1.27 0.00 0.00 108 T 7.92 4.52 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 1.23 0.00 0.00 109 S 7.83 5.05 0.00 4.19 4.34 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 0.00 110 T 8.48 4.27 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 1.17 0.00 0.00 111 L 8.35 3.84 0.00 1.83 1.65 0.77 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.92 3.88 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 113 E 7.99 3.32 0.00 1.76 1.12 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 1.89 2.08 0.00 114 Q 7.78 4.24 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 115 I 7.78 3.80 1.81 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 1.46 0.79 0.89 0.00 0.00 116 G 8.08 3.52 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 0.00 0.00 0.00 117 W 7.92 4.36 0.00 3.62 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 0.00 118 M 8.29 4.16 0.00 2.01 2.24 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 2.82 2.58 0.00 119 T 7.45 4.51 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 1.26 0.00 0.00 120 H 7.87 4.20 0.00 3.57 3.52 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.05 4.92 0.00 2.63 2.63 0.00 0.00 7.02 7.69 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 0.00 122 P 0.00 4.72 0.00 2.24 2.06 0.00 3.70 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 2.01 2.13 0.00 123 P 0.00 4.69 0.00 2.10 2.27 0.00 3.72 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 124 I 8.36 4.32 1.95 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 1.38 0.66 0.75 0.00 0.00 125 P 0.00 4.60 0.00 2.21 2.20 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 126 V 7.66 3.33 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 0.40 0.00 0.00 1.08 0.00 0.00 127 G 7.79 3.59 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 0.00 0.00 0.00 128 E 8.00 3.97 0.00 2.06 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 0.00 2.34 2.31 0.00 129 I 7.60 3.35 1.09 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 -0.41 0.00 0.00 130 Y 7.34 3.51 0.00 2.74 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 0.00 131 K 8.40 3.92 0.00 1.88 1.86 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.50 7.81 132 R 7.83 3.94 0.00 2.00 2.08 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 133 W 7.94 4.45 0.00 3.76 3.13 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 0.00 134 I 8.21 3.66 1.88 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.35 0.23 0.00 0.00 135 I 8.18 3.66 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.97 0.00 0.00 136 L 8.24 4.05 0.00 2.04 2.00 0.97 1.03 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 0.00 137 G 8.19 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 0.00 138 L 8.26 3.86 0.00 1.75 1.71 0.58 0.40 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 0.00 139 N 8.50 4.40 0.00 2.89 2.91 0.00 0.00 7.10 7.65 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 0.00 140 K 7.81 4.15 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 141 I 7.85 3.80 1.87 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.80 0.00 0.00 142 V 7.96 4.49 2.28 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 1.14 0.00 0.00 1.13 0.00 0.00 143 R 7.76 4.05 0.00 1.96 2.00 0.00 3.38 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 144 M 8.31 4.18 0.00 1.67 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 145 Y 7.93 4.18 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.