NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2541 8.2544 120.8629 55.5189 31.0414 174.9099 5 K 3.8887 8.6762 127.1660 55.6939 32.9375 173.9070 6 P 4.5413 0.0000 0.0000 62.5309 34.0669 174.6152 7 I 4.9098 8.1884 122.5790 59.6966 40.1791 174.3383 8 I 4.7056 9.0308 128.7892 59.4278 39.6363 174.9387 9 G 4.8677 8.7556 114.5619 44.0598 0.0000 172.5765 10 V 5.1753 8.4023 123.3894 60.9622 34.5209 174.6767 11 M 4.8558 8.9157 123.8114 53.9051 34.6964 174.3703 12 G 4.4756 8.5373 107.3286 45.5389 0.0000 170.3472 13 P 4.1960 0.0000 0.0000 63.6656 32.5000 176.2410 14 G 3.8269 8.7887 109.3844 46.6535 0.0000 175.6964 15 K 3.8119 8.7788 123.0630 56.9528 31.7156 177.2190 16 A 4.7279 8.7590 116.3914 52.1106 20.3129 177.1681 17 D 4.6432 8.2312 116.4569 56.0900 41.0991 175.8796 18 T 4.5881 7.5454 113.3794 61.1991 70.7165 174.0677 19 A 4.4215 8.2057 127.5289 51.2732 21.1267 177.7164 20 E 3.9554 8.6323 121.0372 59.3484 29.4882 179.5894 21 N 4.4380 8.1103 116.8212 55.7251 37.6207 177.0348 22 Q 3.9957 8.1774 120.0356 59.1353 28.5732 178.9451 23 L 4.0423 7.6402 119.8208 57.6216 41.6188 179.8002 24 V 3.6363 7.7887 118.1055 66.0518 31.4503 178.0393 25 M 4.0375 8.3987 118.5911 58.3421 31.8436 178.3143 26 A 3.9998 8.0215 120.8742 55.4454 18.5809 179.2840 27 N 4.3938 7.9044 115.1130 56.8624 39.0612 177.0661 28 E 3.9686 8.2912 120.0559 59.1219 29.5782 178.7946 29 L 4.0641 8.3592 121.0245 58.3338 42.1239 179.2197 30 G 3.7202 8.1828 105.3978 47.7916 0.0000 175.3482 31 K 4.2469 7.8116 122.8617 58.9630 32.3198 178.9392 32 Q 4.0564 8.2436 118.1023 58.5467 28.5697 178.7106 33 I 3.9513 8.0180 120.9770 64.4758 37.2573 178.2634 34 A 4.0269 8.0392 121.5965 55.5330 17.9607 179.8575 35 T 3.7830 7.5645 113.2190 66.7269 68.5643 175.8851 36 H 3.9623 7.4477 115.2457 55.4067 28.5103 175.7587 37 G 3.7753 7.5527 108.8880 46.0488 0.0000 173.5292 38 W 5.1518 7.7016 118.1951 54.7977 31.8179 175.7928 39 I 4.4506 8.9266 123.2971 60.4782 38.7231 174.6846 40 L 4.9793 8.4780 128.4038 53.8309 43.6591 174.6320 41 L 5.1893 8.6383 129.0708 53.8424 44.3625 175.1353 42 T 4.6563 8.9721 120.1365 60.8115 71.6893 172.3024 43 G 3.9772 8.6630 110.7743 46.2403 0.0000 174.0483 44 G 4.1183 9.0104 110.1962 46.1639 0.0000 174.2084 45 R 4.3957 7.9176 119.2008 56.4985 31.0179 176.9529 46 S 4.4211 8.1277 116.1434 56.5335 62.4590 173.7398 47 L 4.2880 7.4792 120.8379 55.0820 45.3803 175.9531 48 G 3.7829 8.4358 113.1029 45.0053 0.0000 173.4148 49 V 3.5710 7.6115 115.8703 66.9401 31.2695 179.0388 50 M 4.1518 7.9716 117.4326 58.3543 31.8282 178.0892 51 H 4.2958 7.9193 117.4782 59.1454 30.0017 177.2405 52 E 3.8319 8.0203 120.3936 59.0683 29.2015 178.9962 53 A 4.1981 7.9649 120.8423 55.5450 18.4390 179.3028 54 M 3.9610 8.0046 116.9436 58.7265 32.1149 178.8906 55 K 3.9110 8.2191 118.6085 59.6229 32.1378 179.3360 56 G 3.6500 8.4508 105.7382 47.8884 0.0000 175.4751 57 A 4.1542 8.2038 123.8944 54.6306 18.3937 179.8842 58 K 3.8870 8.2152 117.0085 59.7275 31.9848 179.1851 59 E 4.1112 8.1473 117.8075 58.6140 29.4193 177.6109 60 A 4.6197 7.7616 118.4158 51.4978 19.5220 177.4944 61 G 3.8123 8.3496 107.2279 46.9231 0.0000 174.7730 62 G 3.9686 8.1069 106.8882 45.8685 0.0000 173.8758 63 T 4.9631 8.3726 117.2444 62.6792 70.5743 174.0449 64 T 5.1209 9.0191 115.0385 59.9414 72.2871 172.6953 65 I 4.9747 9.0884 125.3702 59.4759 40.5594 174.4871 66 G 4.3692 8.9304 114.4305 44.3993 0.0000 171.9806 67 V 4.8476 8.8497 126.3974 61.5535 33.4930 174.7394 68 L 5.1938 9.2002 127.0106 52.4558 46.0159 174.2937 69 P 4.9016 0.0000 0.0000 62.3184 32.0119 175.0423 70 G 4.1074 8.5721 106.2478 43.2589 0.0000 169.4941 71 P 5.1777 0.0000 0.0000 61.3306 34.5182 173.8368 72 D 4.6952 8.8474 118.0110 51.3218 43.2591 173.1345 73 T 4.5220 8.5039 126.0599 60.7358 70.9783 171.2993 *76 I 4.1270 7.9709 125.6836 58.5726 35.9225 171.7539 77 S 4.2450 8.1397 120.4348 56.9132 62.9587 174.7306 78 D 4.4616 8.7139 124.4642 56.7315 40.9489 177.9841 79 A 4.0088 7.6451 120.4098 52.9777 18.4694 177.1694 80 V 4.0733 7.0585 116.8290 61.8008 32.0754 175.3557 81 D 4.4879 8.8561 128.1409 57.1127 41.3921 177.0226 82 I 4.3480 7.7912 123.4711 58.9961 38.9657 172.9292 83 P 4.9301 0.0000 0.0000 62.0952 32.4187 176.2552 84 I 4.2491 9.1523 126.6240 59.7951 38.5836 174.6489 85 V 4.5676 8.2767 128.0362 61.9506 31.6468 175.1896 86 T 4.1253 9.2419 119.2793 60.9967 70.2869 176.1558 87 G 3.9150 8.0927 107.5560 46.1087 0.0000 174.3814 88 L 4.4975 7.5567 121.6997 52.1399 40.1559 176.6693 89 G 3.6409 8.1942 110.1553 47.9658 0.0000 170.8259 *91 A 4.1311 7.5037 120.2833 52.2862 19.3066 176.1792 92 R 4.2175 8.2715 116.7116 55.2789 30.9450 174.8550 93 D 4.3598 8.6925 125.9422 55.3128 40.6941 176.0378 94 N 4.8827 8.6000 121.5836 53.4977 39.2393 177.6944 95 I 3.8567 7.7064 121.8959 64.0098 37.5400 177.0080 96 N 4.2055 8.1657 117.1212 56.8016 38.4793 176.1663 97 A 3.9243 7.8933 120.1582 55.5230 18.6177 179.1801 98 L 4.1282 7.5484 114.9143 57.3164 41.8736 179.1855 99 S 4.3577 8.5446 114.4700 59.5043 63.4900 175.0527 100 S 4.5163 7.3780 117.3772 58.0446 63.4547 174.0741 101 N 4.5079 8.6919 122.3855 55.9799 38.8638 175.8287 102 V 4.4655 7.4588 116.4724 61.0070 35.7737 173.8055 103 L 5.2169 8.2642 125.2331 52.8737 45.1479 175.5620 104 V 4.8295 9.1014 122.5357 61.0561 34.6189 173.7620 105 A 5.0797 9.0110 130.3211 50.3920 20.9996 175.5761 106 V 4.8906 8.3938 123.5514 61.4324 33.4945 176.6345 107 G 3.9499 9.7464 117.2431 45.3221 0.0000 170.8951 108 M 4.7450 7.7626 116.1307 53.2962 35.1312 174.1972 109 G 4.0072 8.1998 109.2250 42.5301 0.0000 172.6388 110 P 4.3789 0.0000 0.0000 65.7237 31.2608 179.1142 111 G 3.7096 8.1153 103.7227 48.2229 0.0000 175.6414 112 T 4.0245 7.9069 117.3950 66.2390 68.5784 176.1922 113 A 4.2614 8.3969 122.9114 55.5462 18.2985 179.6248 114 A 4.0184 8.0057 118.5231 55.2592 18.3831 179.6849 115 E 3.8616 7.9991 116.6283 59.5228 29.5293 179.5634 116 V 3.3671 7.9240 118.1927 66.1088 31.4426 177.8961 117 A 4.0996 8.1600 120.2726 55.2392 18.1784 179.6124 118 L 3.9793 8.2758 117.4442 57.7416 41.6458 179.5899 119 A 3.9519 8.2686 121.0684 55.2352 18.3971 179.7589 120 L 3.9657 8.1357 117.6493 57.5821 41.3922 179.6308 121 K 3.9443 8.3060 119.3056 59.3159 32.2723 178.0135 122 A 4.1770 7.9724 117.5606 51.5262 19.0080 176.8807 123 K 3.7755 7.8232 115.6378 57.9946 29.7664 175.6993 124 K 4.8220 7.8039 116.6451 53.7159 35.2000 175.8534 125 P 4.7141 0.0000 0.0000 62.7411 33.1537 175.0472 126 V 4.6146 8.5789 122.1270 61.1330 34.7356 174.0510 127 V 4.7094 8.9038 128.2354 61.5660 33.3902 174.4028 128 L 4.7959 9.3351 129.4316 53.3285 43.2751 175.0341 129 L 4.7873 8.8698 127.7940 53.5756 44.2733 176.8033 130 G 3.7336 8.9166 114.8515 46.7203 0.0000 173.0592 131 T 4.4583 7.7156 108.5290 59.9723 70.9882 174.3345 132 Q 4.4080 8.1647 122.5069 54.7433 31.6378 174.7928 133 P 4.6217 0.0000 0.0000 64.7539 31.2372 178.7715 134 E 3.9839 8.2807 117.3242 59.3741 29.3953 179.0511 135 A 4.0259 7.9575 120.1760 55.2829 18.1237 179.3792 136 E 4.0935 8.2594 117.0681 59.3983 29.4009 179.9081 137 K 3.9983 8.5919 118.9762 59.3199 32.2441 178.9909 138 F 4.0412 8.2686 120.9933 61.5432 39.2567 177.2687 139 F 4.0571 8.0745 117.0894 60.8141 38.5149 177.7521 140 T 3.9149 7.7213 114.2259 66.7730 68.2776 176.3650 141 S 4.1978 7.9995 115.5712 61.1542 62.9886 176.4764 142 L 4.2350 7.2725 121.8310 56.3059 41.8588 177.5561 143 D 4.3667 8.1779 122.8537 52.6358 42.1183 174.9201 144 A 4.0041 8.8861 130.0914 55.0978 18.4911 180.1697 145 G 3.6819 7.9050 103.0051 47.9827 0.0000 174.3754 146 L 4.3815 7.7813 118.2619 54.7086 42.6070 175.7112 147 V 4.6956 7.1195 118.2291 61.5101 32.9127 174.7986 148 H 4.7786 8.9453 124.6788 53.9509 31.8040 172.8514 149 V 4.3812 8.5406 124.3062 62.1387 32.0331 174.8382 150 A 4.8731 8.7034 130.1599 50.3241 20.4487 176.6226 151 A 4.1885 8.7514 123.5770 52.9626 19.3933 176.9842 152 D 4.4228 7.2367 114.6594 51.5921 42.6269 177.1207 153 V 3.5590 7.9040 118.4828 65.9373 31.4670 177.5145 154 A 4.1085 8.1013 120.2472 55.1432 18.1738 179.4107 155 G 3.5593 8.7594 104.2299 48.0611 0.0000 175.2990 156 A 4.0125 8.2178 124.1414 55.0600 18.3459 179.8965 157 I 3.8239 7.9394 117.6955 64.5122 37.2283 178.5686 158 A 4.3035 8.2192 121.3530 54.6608 18.1783 179.6095 159 A 3.8929 8.3182 120.0704 55.1303 18.3874 179.9192 160 V 3.2669 7.6641 116.6628 65.9180 31.4710 177.7859 161 K 4.0379 8.5397 119.9450 59.9045 32.0480 178.4566 162 Q 4.0210 8.0384 117.5197 59.4236 28.1381 178.6643 163 L 3.9529 7.5553 119.9648 57.4481 41.7674 179.2113 164 L 3.9898 8.3475 117.8404 57.1854 41.5106 178.7891 165 A 4.3374 7.5833 122.4193 54.5816 18.8327 178.5129 166 K 4.2665 7.7232 125.8174 57.1652 32.0077 180.8653 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 4 R 8.25 4.25 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 5 K 8.68 3.89 0.00 1.87 1.75 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.69 7.81 6 P 0.00 4.54 0.00 1.81 1.78 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 7 I 8.19 4.91 1.84 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 1.35 0.76 0.90 0.00 0.00 8 I 9.03 4.71 1.88 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.85 0.00 0.00 9 G 8.76 4.87 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 10 V 8.40 5.18 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 0.84 0.00 0.00 0.94 0.00 0.00 11 M 8.92 4.86 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 12 G 8.54 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.20 0.00 2.14 2.31 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 14 G 8.79 3.83 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 0.00 0.00 0.00 15 K 8.78 3.81 0.00 1.73 1.58 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 16 A 8.76 4.73 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 17 D 8.23 4.64 0.00 2.66 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 18 T 7.55 4.59 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 1.22 0.00 0.00 19 A 8.21 4.42 1.30 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 0.00 0.00 20 E 8.63 3.96 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 21 N 8.11 4.44 0.00 2.92 3.08 0.00 0.00 6.27 7.44 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 22 Q 8.18 4.00 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 23 L 7.64 4.04 0.00 1.85 1.72 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.79 3.64 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 1.04 0.00 0.00 0.93 0.00 0.00 25 M 8.40 4.04 0.00 2.09 2.11 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 2.83 2.57 0.00 26 A 8.02 4.00 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 0.00 0.00 0.00 0.00 0.00 27 N 7.90 4.39 0.00 2.92 2.96 0.00 0.00 7.27 7.44 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 28 E 8.29 3.97 0.00 2.19 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 29 L 8.36 4.06 0.00 1.88 1.93 0.97 0.91 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 30 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.81 4.25 0.00 2.01 2.02 0.00 1.67 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.33 7.81 32 Q 8.24 4.06 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 33 I 8.02 3.95 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.86 1.15 0.00 0.00 34 A 8.04 4.03 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 35 T 7.56 3.78 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 1.04 0.00 0.00 36 H 7.45 3.96 0.00 1.47 1.31 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.55 3.78 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 0.00 0.00 0.00 38 W 7.70 5.15 0.00 3.46 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.93 4.45 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 1.16 0.63 0.98 0.00 0.00 40 L 8.48 4.98 0.00 1.86 1.58 0.95 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.64 5.19 0.00 1.75 1.49 0.91 0.37 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 42 T 8.97 4.66 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 43 G 8.66 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 44 G 9.01 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 0.00 0.00 0.00 45 R 7.92 4.40 0.00 1.80 1.88 0.00 3.24 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 46 S 8.13 4.42 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.48 4.29 0.00 1.65 1.43 0.94 1.17 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 48 G 8.44 3.78 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 0.00 0.00 0.00 49 V 7.61 3.57 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 1.03 0.00 0.00 1.02 0.00 0.00 50 M 7.97 4.15 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 51 H 7.92 4.30 0.00 3.54 3.50 0.00 5.78 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 52 E 8.02 3.83 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 53 A 7.96 4.20 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 54 M 8.00 3.96 0.00 2.10 2.37 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 2.64 2.61 0.00 55 K 8.22 3.91 0.00 1.86 1.83 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.62 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 56 G 8.45 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.20 4.15 1.42 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 0.00 0.00 58 K 8.22 3.89 0.00 2.01 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.67 7.81 59 E 8.15 4.11 0.00 2.08 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 2.32 2.33 0.00 60 A 7.76 4.62 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 61 G 8.35 3.81 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 0.00 0.00 0.00 62 G 8.11 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 63 T 8.37 4.96 4.27 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 1.26 0.00 0.00 64 T 9.02 5.12 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 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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 1.21 0.00 0.00 *76 I 7.97 4.13 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 1.30 1.11 0.91 0.00 0.00 77 S 8.14 4.24 0.00 4.03 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 78 D 8.71 4.46 0.00 2.84 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 79 A 7.65 4.01 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 80 V 7.06 4.07 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 0.85 0.00 0.00 0.95 0.00 0.00 81 D 8.86 4.49 0.00 2.83 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 82 I 7.79 4.35 1.88 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 1.23 0.96 0.92 0.00 0.00 83 P 0.00 4.93 0.00 1.94 1.99 0.00 3.65 0.00 0.00 3.88 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0.00 0.00 1.64 1.71 0.00 93 D 8.69 4.36 0.00 2.70 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 94 N 8.60 4.88 0.00 2.82 2.80 0.00 0.00 7.05 6.91 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 95 I 7.71 3.86 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 1.52 0.80 0.91 0.00 0.00 96 N 8.17 4.21 0.00 2.74 2.80 0.00 0.00 7.03 8.30 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 97 A 7.89 3.92 1.31 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 0.00 0.00 98 L 7.55 4.13 0.00 1.62 1.72 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.54 4.36 0.00 3.79 3.90 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 0.00 100 S 7.38 4.52 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.69 4.51 0.00 2.55 2.73 0.00 0.00 6.65 7.26 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 0.00 102 V 7.46 4.47 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 0.88 0.00 0.00 0.73 0.00 0.00 103 L 8.26 5.22 0.00 1.53 1.44 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 104 V 9.10 4.83 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 1.01 0.00 0.00 0.90 0.00 0.00 105 A 9.01 5.08 1.17 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 0.00 0.00 0.00 106 V 8.39 4.89 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 1.18 0.00 0.00 0.94 0.00 0.00 107 G 9.75 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 0.00 108 M 7.76 4.75 0.00 1.97 1.96 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 2.58 2.77 0.00 109 G 8.20 4.01 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 0.00 0.00 0.00 110 P 0.00 4.38 0.00 2.18 2.13 0.00 3.62 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 2.12 2.16 0.00 111 G 8.12 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 0.00 112 T 7.91 4.02 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 1.19 0.00 0.00 113 A 8.40 4.26 1.56 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 0.00 114 A 8.01 4.02 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 0.00 115 E 8.00 3.86 0.00 2.20 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 2.32 2.32 0.00 116 V 7.92 3.37 1.66 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 0.05 0.00 0.00 0.70 0.00 0.00 117 A 8.16 4.10 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.99 1.90 0.00 126 V 8.58 4.61 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 0.81 0.00 0.00 0.83 0.00 0.00 127 V 8.90 4.71 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 1.03 0.00 0.00 0.86 0.00 0.00 128 L 9.34 4.80 0.00 1.62 1.63 1.06 -0.20 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 0.00 129 L 8.87 4.79 0.00 1.73 1.65 0.98 1.12 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 0.00 130 G 8.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.72 4.46 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 1.36 0.00 0.00 132 Q 8.16 4.41 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 133 P 0.00 4.62 0.00 2.21 2.10 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 134 E 8.28 3.98 0.00 2.04 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 2.38 2.44 0.00 135 A 7.96 4.03 1.52 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 0.00 136 E 8.26 4.09 0.00 2.24 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 2.39 2.43 0.00 137 K 8.59 4.00 0.00 1.87 1.87 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 138 F 8.27 4.04 0.00 2.93 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 0.00 139 F 8.07 4.06 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.91 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 1.20 0.00 0.00 141 S 8.00 4.20 0.00 3.93 4.08 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 0.00 0.00 0.00 0.00 142 L 7.27 4.23 0.00 1.74 1.67 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.18 4.37 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.89 4.00 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 0.00 145 G 7.91 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 0.00 0.00 0.00 146 L 7.78 4.38 0.00 1.68 1.82 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.12 4.70 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 0.79 0.00 0.00 1.02 0.00 0.00 148 H 8.95 4.78 0.00 3.13 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.54 4.38 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 0.82 0.00 0.00 0.96 0.00 0.00 150 A 8.70 4.87 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 0.00 151 A 8.75 4.19 1.30 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 0.00 0.00 152 D 7.24 4.42 0.00 2.91 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 0.00 153 V 7.90 3.56 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 1.10 0.00 0.00 0.97 0.00 0.00 154 A 8.10 4.11 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 0.00 155 G 8.76 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 0.00 156 A 8.22 4.01 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 0.00 157 I 7.94 3.82 2.07 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 1.73 0.83 0.92 0.00 0.00 158 A 8.22 4.30 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 0.00 159 A 8.32 3.89 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 0.00 160 V 7.66 3.27 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 0.14 0.00 0.00 0.88 0.00 0.00 161 K 8.54 4.04 0.00 2.23 1.90 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.72 7.81 162 Q 8.04 4.02 0.00 2.39 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 163 L 7.56 3.95 0.00 1.72 1.65 0.67 0.95 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 0.00 164 L 8.35 3.99 0.00 1.71 1.69 0.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.58 4.34 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 0.00 166 K 7.72 4.27 0.00 1.88 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.