NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.9577 8.1476 120.2149 52.8904 32.7101 176.1457 2 D 4.5190 9.2487 125.0803 55.0542 39.0417 172.0765 3 K 4.6870 8.1181 119.9543 55.1122 34.0843 178.3374 4 V 4.2758 7.9720 117.5746 62.8331 34.7987 174.3363 5 L 3.3672 8.7763 128.0701 55.9799 41.0412 172.5731 6 N 4.9716 8.0576 116.0147 51.4895 41.3213 174.7412 7 R 3.7795 8.6016 119.2816 59.8062 29.8628 177.8443 8 E 3.9362 8.0925 117.3166 59.6840 29.6061 179.2121 9 E 3.9583 8.2441 118.3848 59.0909 29.5279 179.5337 10 S 3.3705 8.0394 114.8076 61.0866 62.6938 176.5920 11 L 3.7885 7.2129 122.7310 57.3683 41.2618 179.2592 12 Q 3.8877 7.7726 119.3840 59.1962 28.9940 178.1707 13 L 3.9991 8.4594 121.6624 58.1824 42.2386 178.6685 14 M 4.1097 7.8733 118.1609 58.8127 31.8408 177.8426 15 D 4.4853 8.7508 119.3961 57.5250 40.7173 178.9563 16 L 3.8910 7.4564 118.8009 57.5992 41.7767 179.1269 17 L 4.2205 8.0016 117.8263 55.9588 41.6580 178.2919 18 G 3.9380 7.6978 106.3920 44.8499 0.0000 172.8594 19 L 4.2977 7.1249 120.8970 53.1603 43.1313 175.0090 20 E 3.8449 8.9752 126.3949 56.2982 29.4168 175.8323 21 R 4.0129 8.4897 125.7554 58.5208 30.3205 176.0578 22 S 4.5159 9.3842 117.8454 58.5244 60.9099 168.7869 23 A 4.6999 8.2271 122.2690 52.0504 18.8152 177.2044 24 W 4.7953 8.2970 128.0053 59.5330 30.8628 174.8000 25 G 3.8026 8.9502 116.6252 46.5042 0.0000 174.5660 26 N 5.1377 9.0492 120.3698 52.4750 35.6372 174.9453 27 I 3.7554 7.9397 126.3284 63.8779 37.6524 175.8759 28 P 4.3782 0.0000 0.0000 64.7228 31.2858 177.9160 29 L 4.3299 8.1383 119.7861 57.8399 42.3937 178.4634 30 M 4.2141 8.1537 116.2845 58.3440 31.3385 178.3682 31 R 4.2186 8.4708 119.0675 58.4264 29.9158 178.4353 32 K 4.1624 8.4310 119.9022 58.6978 32.2038 178.2548 33 A 3.9781 7.9511 120.1933 54.1655 18.7673 178.6738 34 Y 3.7956 7.7439 118.1616 60.8519 38.6747 177.7993 35 L 3.7729 7.3489 118.9689 57.9947 42.1580 178.5959 36 K 4.0714 7.4331 119.1926 58.8957 32.1272 178.9419 37 K 3.9366 7.5075 118.8327 59.5759 31.7497 178.9944 38 C 4.3919 7.2660 111.5603 60.1606 27.6756 174.0788 39 K 4.5531 7.7324 122.6572 55.9410 34.8208 176.7533 40 E 4.0692 8.7084 113.3647 57.0839 30.8192 183.5306 *49 E 4.1906 9.3361 113.9663 56.9069 31.7622 178.1834 50 E 4.8164 8.6587 121.6422 54.0174 33.7554 170.7684 51 K 4.5823 7.9511 122.0383 54.8259 34.9305 177.9625 52 M 3.8176 7.3289 117.8265 57.2598 32.2125 177.9737 53 K 4.4386 7.9553 118.6032 57.5957 34.2128 178.1481 54 K 4.0497 7.9492 120.3833 59.5433 32.2186 177.6950 55 M 4.1071 8.1372 118.2783 58.4185 32.2149 177.6069 56 N 4.4588 8.3108 115.6865 57.1323 38.9363 176.9816 57 T 4.0829 7.9675 113.3962 64.4454 67.4887 176.8106 58 L 3.9642 8.2389 121.5158 58.0331 41.8176 178.7675 59 Y 4.3966 8.6639 119.4164 60.2642 38.0257 178.3451 60 K 3.7889 7.9665 119.4138 59.0542 32.2008 179.0437 61 K 3.8921 7.8912 119.9527 60.0195 32.0647 178.0279 62 M 3.9806 8.9974 118.7978 58.9523 31.8431 179.0493 63 E 3.3173 7.7103 118.9549 58.1124 30.9073 178.4582 64 D 4.6457 7.7159 117.2194 55.6699 41.4558 178.9433 65 G 3.6749 7.9568 106.4109 47.7039 0.0000 175.9087 66 V 3.5615 7.9680 120.4956 65.5226 31.4256 177.9177 67 K 3.9534 7.4398 117.7457 58.9710 32.0381 177.3776 68 Y 4.2114 7.9228 119.0894 60.2248 38.8202 176.9832 69 A 4.0697 7.5019 119.4806 55.5956 18.5050 179.0545 70 H 4.4927 8.2335 116.1600 58.1576 29.2050 177.1339 71 Q 4.0350 7.1445 119.3540 54.0937 28.3327 178.8503 72 P 4.5252 0.0000 0.0000 62.3357 32.0215 174.9403 73 D 5.1169 8.2538 118.2573 53.2352 42.7115 176.8390 74 F 4.6282 8.3888 120.2256 57.5623 41.7452 175.4414 *87 S 4.5844 7.6287 117.4319 58.3776 63.4585 173.3940 88 L 4.5761 8.3900 114.5128 54.7160 43.8454 174.4362 89 N 4.9879 7.8225 116.1042 50.9777 40.7979 172.8028 90 P 4.1079 0.0000 0.0000 65.6339 32.4297 177.9960 91 G 3.8140 7.2383 108.7631 45.2841 0.0000 175.2345 92 V 4.4268 7.8882 107.8156 58.7398 31.1587 172.9292 93 D 4.5895 7.7350 120.0492 54.7252 47.3800 175.7877 94 A 4.2428 7.7441 120.9500 51.2210 19.6667 176.1083 95 I 4.2376 7.8510 113.8323 59.6810 39.3200 176.4005 96 Y 4.3467 8.4675 122.2040 59.5158 38.5908 174.8286 97 C 4.7788 7.4499 116.8768 57.2466 34.7612 173.4279 98 K 3.9873 7.6662 122.0593 55.6797 34.2714 173.5674 99 Q 3.4118 8.2029 128.1951 55.4181 25.6287 173.1932 100 W 4.1661 7.8304 119.6761 59.5937 29.2096 175.3526 101 P 4.3817 0.0000 0.0000 66.2785 31.0224 178.7365 102 E 4.0189 8.1727 114.7361 58.9578 29.3971 178.6765 103 C 4.2675 7.7065 116.4167 62.3447 28.6515 175.7555 104 V 3.6584 7.2704 117.6774 65.3385 31.1510 176.8395 105 K 4.1111 8.2854 120.2926 58.3697 32.3223 179.2719 106 K 4.2185 8.0366 125.4339 56.5079 34.7704 179.0282 107 M 4.4687 8.6430 115.9888 53.6700 30.4706 175.1437 108 S 4.6297 8.2125 119.2843 58.6045 64.9004 174.3003 109 T 4.4302 7.7867 114.6961 61.6778 68.2277 174.5433 110 N 4.9674 8.3195 117.6067 53.4485 41.9364 174.8174 111 C 4.0476 8.0473 116.9203 60.5410 28.6539 173.3112 112 I 4.2334 8.1346 121.7604 61.0735 37.7693 175.5025 113 C 4.5203 7.6862 113.9880 57.3737 30.7983 174.5008 114 L 4.0655 8.7080 123.2219 58.1986 41.2883 179.2543 115 L 4.4249 8.1092 114.6332 56.8952 40.5234 177.4570 116 C 4.5287 8.0112 117.7399 61.7944 29.2853 175.4765 117 L 4.0310 7.9213 120.4482 58.1550 41.3352 179.7790 118 L 4.1130 8.1975 118.6038 57.8159 41.4107 179.6552 119 R 4.0438 7.9756 118.3683 59.5588 30.0704 178.3860 120 M 4.1649 8.6962 121.5144 58.9527 31.8871 179.3781 121 K 4.0003 8.8633 124.3304 60.0068 31.7416 180.3357 122 H 4.3711 8.4793 119.3043 59.3534 29.6693 177.3452 123 E 4.0146 7.8462 117.8025 59.3662 29.7113 178.4281 124 N 4.3748 8.4433 117.6357 55.8814 38.4967 177.7392 125 R 4.1743 7.8480 119.7986 59.1311 30.2994 178.5755 126 K 4.1178 7.5620 112.7111 57.8452 32.3835 177.3024 127 L 4.0216 7.0842 121.0581 57.5873 42.4208 177.4452 128 Y 4.4554 7.6264 115.9172 60.5676 38.2867 176.4592 129 R 4.1662 7.7664 117.3866 56.1908 30.9827 176.8028 130 K 4.1648 8.6091 122.3621 58.9050 32.7553 177.2030 131 D 4.5246 7.8592 117.4730 52.0895 39.9513 174.1012 132 P 4.4598 0.0000 0.0000 63.1261 31.8423 175.1208 133 L 4.7657 8.2556 118.3228 53.1799 43.6345 176.4332 134 V 4.6178 7.8426 114.2033 58.5258 35.4552 174.8655 135 W 4.6867 8.5518 130.8420 58.9714 30.7107 175.4822 136 V 2.0000 6.0238 120.8876 61.8793 30.1685 172.3954 137 D 4.7982 8.8905 117.4497 52.2322 41.7584 174.4197 138 C 5.7761 7.1361 127.2734 59.3275 33.5678 173.1519 139 Y 4.8723 8.5730 123.9666 57.6086 38.7350 176.0217 140 C 4.3529 8.4127 116.4351 58.7090 31.3775 174.4253 141 F 3.8778 8.8516 123.2959 61.6575 38.8096 177.3136 142 D 4.2444 8.0957 118.0745 57.1695 40.7578 178.1732 143 C 4.1443 8.1458 116.8446 62.8310 28.3175 175.6825 144 F 3.4691 8.2979 121.9622 61.1961 39.0041 177.2465 145 R 3.4330 8.1374 117.8454 59.4218 29.6440 178.4008 146 M 3.9328 8.0832 116.7580 59.2102 32.1279 177.6192 147 W 4.0979 7.8125 127.3622 59.3548 31.0898 177.1297 148 F 4.0646 7.2814 117.3526 57.4023 39.3737 175.3812 149 G 4.0174 8.1971 108.9497 45.3707 0.0000 173.8446 150 L 4.4014 7.0491 117.8800 53.0737 42.7834 177.3758 151 D 4.6707 8.2958 123.0078 53.5948 41.9942 175.6954 152 L 4.4191 8.1699 119.1766 55.3817 42.3576 176.0048 153 C 4.0742 7.4971 116.0565 59.7060 32.2195 174.0656 154 E 4.5274 8.6645 121.5484 57.1593 29.4088 178.4541 155 G 3.8338 7.9264 105.7088 46.8826 0.0000 176.0469 156 T 4.0885 7.5846 117.7973 66.7707 68.5309 176.5274 157 L 4.1373 8.1657 121.6696 58.0036 42.0624 178.6107 158 L 3.9848 7.5986 119.4442 57.7952 41.9952 178.6147 159 L 3.9787 7.7250 120.5892 57.7269 42.1227 178.8243 160 W 3.5267 8.1682 128.3335 60.4521 30.5726 177.5360 161 C 3.0785 8.4261 117.0515 62.7299 27.2631 176.0536 162 D 4.2051 7.5457 118.7728 57.3853 41.0056 178.4458 163 I 3.9187 7.7431 117.6926 62.7324 37.9557 177.1501 164 I 3.9998 7.0828 119.6742 63.5567 37.5778 177.5721 165 G 4.4101 8.4387 105.5360 46.3945 0.0000 174.4450 166 Q 4.2567 7.5687 118.7044 57.4781 30.5280 176.8450 167 T 3.7036 6.9290 111.9505 64.1357 68.8404 174.2194 168 T 4.1357 8.0825 122.1486 63.6782 69.5150 173.2913 169 Y 4.1594 8.5990 122.5174 58.9830 38.1827 176.1164 170 R 4.4662 7.8683 122.2647 54.6685 33.8882 175.3618 171 D 4.1027 8.9113 125.9906 60.6544 38.6842 174.3108 172 L 4.0815 7.7164 122.4113 54.6308 40.7461 176.9384 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 M 8.15 3.96 0.00 1.57 0.57 0.00 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 2 D 9.25 4.52 0.00 3.11 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 3 K 8.12 4.69 0.00 1.66 1.65 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 4 V 7.97 4.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.85 0.00 0.00 5 L 8.78 3.37 0.00 1.83 1.57 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.06 4.97 0.00 2.94 2.91 0.00 0.00 5.60 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.60 3.78 0.00 1.93 1.95 0.00 3.21 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 8 E 8.09 3.94 0.00 2.21 1.94 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 2.37 2.43 0.00 9 E 8.24 3.96 0.00 1.98 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 2.30 2.28 0.00 10 S 8.04 3.37 0.00 2.72 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 11 L 7.21 3.79 0.00 1.79 1.68 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.77 3.89 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 13 L 8.46 4.00 0.00 1.77 1.75 1.09 1.07 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 14 M 7.87 4.11 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.77 0.00 15 D 8.75 4.49 0.00 2.68 2.72 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 16 L 7.46 3.89 0.00 1.82 1.76 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.00 4.22 0.00 1.71 1.80 1.12 0.96 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 18 G 7.70 3.94 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 0.00 0.00 0.00 19 L 7.12 4.30 0.00 1.79 1.68 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.98 3.84 0.00 2.12 1.94 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 2.43 2.45 0.00 21 R 8.49 4.01 0.00 1.83 1.90 0.00 3.24 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 22 S 9.38 4.52 0.00 4.20 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.23 4.70 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.30 4.80 0.00 3.39 3.15 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 25 G 8.95 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 0.00 0.00 0.00 26 N 9.05 5.14 0.00 3.16 3.11 0.00 0.00 7.09 7.54 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 27 I 7.94 3.76 1.93 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.62 0.95 0.00 0.00 28 P 0.00 4.38 0.00 2.09 2.16 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 29 L 8.14 4.33 0.00 1.92 2.05 0.99 0.93 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 30 M 8.15 4.21 0.00 2.50 2.55 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.14 0.00 31 R 8.47 4.22 0.00 2.12 2.17 0.00 3.21 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 32 K 8.43 4.16 0.00 2.09 1.92 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 33 A 7.95 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.74 3.80 0.00 2.52 2.56 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 35 L 7.35 3.77 0.00 1.98 1.71 1.10 0.69 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 36 K 7.43 4.07 0.00 2.04 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 37 K 7.51 3.94 0.00 1.55 1.72 0.00 1.93 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.56 7.81 38 C 7.27 4.39 0.00 2.64 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 39 K 7.73 4.55 0.00 1.64 1.84 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.36 7.81 40 E 8.71 4.07 0.00 1.99 1.50 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 2.14 2.07 0.00 *49 E 9.34 4.19 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 50 E 8.66 4.82 0.00 1.91 1.67 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 2.12 1.86 0.00 51 K 7.95 4.58 0.00 1.61 1.69 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 0.96 7.81 52 M 7.33 3.82 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 53 K 7.96 4.44 0.00 2.05 2.10 0.00 1.40 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.53 7.81 54 K 7.95 4.05 0.00 1.87 1.87 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.53 1.51 7.81 55 M 8.14 4.11 0.00 2.27 2.08 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 2.77 2.94 0.00 56 N 8.31 4.46 0.00 3.09 3.03 0.00 0.00 6.56 7.05 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 57 T 7.97 4.08 4.28 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 1.34 0.00 0.00 58 L 8.24 3.96 0.00 2.03 1.75 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.66 4.40 0.00 2.84 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 60 K 7.97 3.79 0.00 2.24 1.82 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.46 7.81 61 K 7.89 3.89 0.00 1.95 2.01 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 62 M 9.00 3.98 0.00 2.12 2.11 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 2.82 2.54 0.00 63 E 7.71 3.32 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 64 D 7.72 4.65 0.00 2.71 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 65 G 7.96 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 66 V 7.97 3.56 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 0.75 0.00 0.00 0.77 0.00 0.00 67 K 7.44 3.95 0.00 1.91 1.93 0.00 2.00 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 68 Y 7.92 4.21 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.50 4.07 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 70 H 8.23 4.49 0.00 3.12 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.14 4.04 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 72 P 0.00 4.53 0.00 2.20 2.12 0.00 3.62 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 2.09 2.15 0.00 73 D 8.25 5.12 0.00 2.57 2.55 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 74 F 8.39 4.63 0.00 2.87 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 *87 S 7.63 4.58 0.00 4.06 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 88 L 8.39 4.58 0.00 1.73 1.60 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.82 4.99 0.00 2.59 2.64 0.00 0.00 6.98 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 90 P 0.00 4.11 0.00 1.90 1.59 0.00 3.62 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 91 G 7.24 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 92 V 7.89 4.43 2.16 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 0.86 0.00 0.00 0.97 0.00 0.00 93 D 7.74 4.59 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.74 4.24 1.07 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 0.00 0.00 95 I 7.85 4.24 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.86 0.00 0.00 96 Y 8.47 4.35 0.00 3.09 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 C 7.45 4.78 0.00 2.19 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 98 K 7.67 3.99 0.00 1.60 1.57 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.30 7.81 99 Q 8.20 3.41 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 100 W 7.83 4.17 0.00 3.47 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.38 0.00 2.20 2.16 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 102 E 8.17 4.02 0.00 1.98 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 2.40 2.47 0.00 103 C 7.71 4.27 0.00 2.84 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 0.00 104 V 7.27 3.66 2.16 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 0.61 0.00 0.00 0.87 0.00 0.00 105 K 8.29 4.11 0.00 1.94 1.68 0.00 1.87 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 1.47 1.60 7.81 106 K 8.04 4.22 0.00 1.86 1.40 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.43 7.81 107 M 8.64 4.47 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 108 S 8.21 4.63 0.00 3.81 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 0.00 109 T 7.79 4.43 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 1.22 0.00 0.00 110 N 8.32 4.97 0.00 2.67 2.74 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.05 4.05 0.00 2.97 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 0.00 112 I 8.13 4.23 1.85 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 1.45 1.01 0.88 0.00 0.00 113 C 7.69 4.52 0.00 3.08 2.99 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 0.00 0.00 0.00 114 L 8.71 4.07 0.00 1.95 2.04 0.53 0.64 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 0.00 115 L 8.11 4.42 0.00 1.47 1.20 0.79 0.45 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 0.00 116 C 8.01 4.53 0.00 3.16 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 0.00 117 L 7.92 4.03 0.00 1.77 1.80 0.96 0.53 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 0.00 118 L 8.20 4.11 0.00 2.09 2.02 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.98 4.04 0.00 2.14 2.10 0.00 3.20 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 120 M 8.70 4.16 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 121 K 8.86 4.00 0.00 1.72 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 122 H 8.48 4.37 0.00 3.37 3.61 0.00 5.75 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.85 4.01 0.00 2.13 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 0.00 2.32 2.33 0.00 124 N 8.44 4.37 0.00 2.80 2.94 0.00 0.00 6.94 7.32 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 0.00 125 R 7.85 4.17 0.00 2.06 2.01 0.00 3.18 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 126 K 7.56 4.12 0.00 1.79 1.83 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.47 7.81 127 L 7.08 4.02 0.00 1.34 0.95 0.80 0.65 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 0.00 128 Y 7.63 4.46 0.00 3.04 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 0.00 129 R 7.77 4.17 0.00 1.83 1.89 0.00 3.39 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 130 K 8.61 4.16 0.00 1.74 1.84 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 131 D 7.86 4.52 0.00 2.84 2.69 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 0.00 132 P 0.00 4.46 0.00 2.25 2.16 0.00 3.77 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 2.03 2.03 0.00 133 L 8.26 4.77 0.00 1.78 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.84 4.62 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 0.86 0.00 0.00 135 W 8.55 4.69 0.00 2.98 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 0.00 0.00 0.00 0.00 136 V 6.02 2.00 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 0.00 0.00 -0.28 0.00 0.00 0.54 0.00 0.00 137 D 8.89 4.80 0.00 2.50 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 7.14 5.78 0.00 3.22 3.08 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 0.00 139 Y 8.57 4.87 0.00 3.04 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 0.00 140 C 8.41 4.35 0.00 3.33 3.44 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 0.00 141 F 8.85 3.88 0.00 2.13 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 0.00 142 D 8.10 4.24 0.00 2.74 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 0.00 143 C 8.15 4.14 0.00 3.44 3.29 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 0.00 144 F 8.30 3.47 0.00 2.65 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 0.00 145 R 8.14 3.43 0.00 1.71 1.72 0.00 2.21 0.00 0.00 2.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 0.00 146 M 8.08 3.93 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 147 W 7.81 4.10 0.00 3.26 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 0.00 148 F 7.28 4.06 0.00 2.55 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 0.00 149 G 8.20 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 0.00 150 L 7.05 4.40 0.00 1.51 1.56 0.77 0.94 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 0.00 151 D 8.30 4.67 0.00 2.70 2.61 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 0.00 152 L 8.17 4.42 0.00 1.64 1.69 1.16 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 153 C 7.50 4.07 0.00 3.06 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 0.00 154 E 8.66 4.53 0.00 2.00 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 2.38 2.38 0.00 155 G 7.93 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 0.00 156 T 7.58 4.09 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 157 L 8.17 4.14 0.00 1.68 1.88 0.68 0.63 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 0.00 158 L 7.60 3.98 0.00 1.87 1.85 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.73 3.98 0.00 1.82 1.92 0.89 0.90 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 0.00 160 W 8.17 3.53 0.00 2.34 3.11 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 0.00 161 C 8.43 3.08 0.00 2.91 2.29 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 0.00 162 D 7.55 4.21 0.00 2.83 2.70 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 0.00 0.00 0.00 0.00 163 I 7.74 3.92 2.05 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.19 1.18 0.00 0.00 164 I 7.08 4.00 1.19 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.36 0.67 0.00 0.00 165 G 8.44 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 0.00 0.00 0.00 0.00 166 Q 7.57 4.26 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 167 T 6.93 3.70 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 0.59 0.00 0.00 168 T 8.08 4.14 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 1.16 0.00 0.00 169 Y 8.60 4.16 0.00 2.94 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 0.00 170 R 7.87 4.47 0.00 1.43 1.62 0.00 2.94 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 171 D 8.91 4.10 0.00 2.85 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 0.00 172 L 7.72 4.08 0.00 1.75 1.81 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.