NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5330 8.3193 115.4091 57.8648 64.5304 174.0600 13 N 4.4635 8.6128 123.2854 49.8072 39.3002 173.7094 14 P 4.2459 0.0000 0.0000 66.1421 31.5319 179.6390 15 I 3.6663 7.7291 119.0816 64.1208 37.1258 177.9557 16 Q 3.9331 8.1754 117.9539 59.2715 28.6450 179.1675 17 A 4.0107 7.8665 120.7888 54.6991 18.2958 179.4479 18 E 3.8518 8.0956 118.2715 59.6743 29.8451 179.4135 19 V 3.7290 7.9200 112.4759 64.2258 31.5129 178.6433 20 L 4.0769 7.9493 118.8845 57.7867 41.6068 179.4431 21 K 4.0639 8.0452 119.5480 59.3860 32.1531 178.8687 22 R 3.9110 8.1258 119.1034 59.4613 30.1754 178.6779 23 V 3.6671 8.5126 118.2441 65.9737 31.5070 177.7821 24 A 3.9243 8.6869 121.0415 55.0412 18.2890 179.2567 25 E 3.9125 8.1850 117.4022 59.3566 29.7137 179.1802 26 V 3.6396 7.8048 118.0652 66.3021 31.4418 178.1355 27 F 4.0100 8.2562 115.8201 60.3236 38.7631 176.8064 28 D 4.5899 8.1642 116.9993 56.2850 41.1375 176.8811 29 Q 4.4581 8.1199 114.9921 56.0203 31.3005 175.3589 30 H 4.7354 8.3153 114.1702 55.7244 29.3710 175.7755 31 V 4.0860 7.3886 119.3013 59.8501 33.4528 172.6125 32 P 4.1925 0.0000 0.0000 66.0018 31.2783 178.2971 33 F 4.4304 8.1714 118.3458 61.4725 39.3389 176.7097 34 H 4.2470 8.0732 115.6860 58.6474 28.4044 177.1829 35 N 4.6277 7.9772 117.5615 55.7165 38.4062 176.9270 36 L 4.0761 7.5163 121.5070 57.7492 42.2585 178.3221 37 L 4.1622 7.3283 117.5673 55.0008 41.8091 177.8074 38 G 3.8820 8.2551 106.2879 45.0616 0.0000 172.7789 39 L 4.1389 7.7075 121.6232 54.7559 42.7089 175.7153 40 D 5.1569 9.4832 126.0402 52.7557 44.4110 175.5941 41 I 4.2104 8.4356 124.3106 59.8093 36.0389 175.4534 42 K 4.1567 8.5512 128.3485 59.1601 32.7180 176.9278 43 R 4.8066 7.8101 116.7700 55.2059 34.9685 174.0717 44 Y 5.3117 8.4116 124.0794 57.2567 40.6081 172.9265 45 D 4.6134 8.5193 126.5811 51.5058 42.6450 175.9682 46 I 3.7055 8.1205 111.2532 63.6049 37.7564 177.1654 47 D 4.4708 8.5946 121.5329 55.7045 41.7745 176.7038 48 G 4.1878 6.9693 107.8204 45.9971 0.0000 171.8272 49 V 5.1028 8.2808 122.2252 60.1144 35.0990 174.8438 50 E 4.8174 9.1854 122.7243 54.5579 32.4922 174.4143 51 V 4.8535 8.8660 126.7899 61.1021 34.5220 174.1334 52 A 5.3159 9.0941 128.1481 50.5317 23.2706 174.8823 53 I 4.6307 8.5295 119.6085 59.1112 41.5980 173.0915 54 N 4.9813 8.8429 135.0000 52.7406 37.3698 176.6901 *56 K 4.1412 8.4305 125.5619 56.7856 33.9547 174.6558 57 P 4.2108 0.0000 0.0000 66.1592 31.2976 178.4420 58 E 4.1143 8.1730 115.0385 58.4129 29.6516 177.3786 59 L 4.4904 8.1549 118.3811 54.4142 42.2863 176.3607 60 I 4.4334 7.5329 120.6652 61.2631 37.7738 175.7964 61 G 3.7702 9.0527 114.6953 47.0137 0.0000 173.4610 62 N 4.8389 7.7228 121.5831 50.9180 40.2248 174.8623 63 I 3.6836 8.6223 127.2595 64.9294 37.5617 177.1631 64 H 4.2224 8.3927 117.9982 59.4732 29.7020 176.3100 65 Q 4.1646 9.2311 116.1456 56.4499 29.0470 175.8437 66 Q 3.4605 7.7234 116.6050 56.9455 26.9755 173.2626 67 I 4.7702 7.1984 109.4936 58.8217 40.8523 175.5667 68 L 4.3369 8.5930 126.6910 55.3265 42.8154 176.1157 69 H 4.2027 8.9766 126.0269 55.8097 30.4963 176.3730 70 G 3.9307 8.9633 112.4804 48.1743 0.0000 175.8428 71 G 3.7412 8.4852 107.2293 47.5514 0.0000 175.9942 72 V 3.6345 8.1675 120.9545 66.1907 31.6187 178.1602 73 T 3.7822 7.9684 114.7989 66.7526 68.3315 176.2470 74 A 4.0604 8.3202 122.5537 55.3165 18.3905 179.8498 75 T 3.9003 8.1040 114.3612 66.8268 68.5152 177.0594 76 V 3.5826 8.0567 120.3005 66.0731 31.6032 178.0186 77 L 4.0064 8.0403 118.7278 57.8026 41.3637 179.1025 78 D 4.5028 8.2375 118.0721 57.3846 41.2379 178.4842 79 V 3.6754 7.8724 118.8060 65.9388 31.4904 178.1110 80 V 3.6142 8.1504 118.3940 65.9758 31.3133 178.2344 81 G 3.9424 7.7590 106.9030 47.0903 0.0000 175.9456 82 G 3.0025 7.9148 108.1111 47.4264 0.0000 175.9245 83 L 3.8254 7.6202 121.8599 57.4499 41.4599 179.8465 84 T 3.9076 8.0233 115.7659 66.4358 68.2967 176.6135 85 A 3.9464 7.9173 122.8244 55.2089 18.3468 179.5139 86 F 4.0747 8.4194 119.0642 61.2812 39.4473 177.2361 87 A 3.8646 8.4281 120.7716 55.0096 17.9516 179.8940 88 G 3.5682 7.8943 103.2775 47.4101 0.0000 175.5463 89 L 4.1483 7.4582 122.4673 58.0732 41.9574 179.0090 90 V 2.9479 7.2407 117.2595 65.5713 31.4138 176.5297 91 A 4.3379 7.8407 120.2016 52.9952 18.6329 177.9985 92 S 4.4342 7.9420 109.9250 59.5134 63.6636 174.2210 93 R 4.5202 7.7739 118.3412 55.0169 33.6882 174.0068 94 D 4.8069 8.1186 117.3840 55.3031 42.8696 177.9612 95 D 4.5670 7.6853 115.8346 54.3810 40.7659 176.2272 96 W 4.8532 7.4567 120.9599 57.3666 29.5951 175.7062 97 T 4.6731 9.0415 113.8474 59.9167 70.6450 175.3396 98 I 3.6803 8.5337 124.6852 65.2230 37.0678 178.3861 99 E 4.2203 8.1801 117.2684 59.1735 29.1236 178.3984 100 E 4.0155 8.2080 120.3987 58.8329 29.6359 178.2389 101 L 3.6804 7.8073 117.9309 56.5099 41.6430 178.7368 102 Q 4.0841 7.9247 117.9463 58.7620 28.3958 178.4437 103 Q 4.1154 8.3179 119.0053 58.6427 28.9900 178.4921 104 R 4.1205 7.4912 119.1143 59.2252 29.6931 178.7471 105 L 3.6810 8.2431 120.0767 58.1517 41.6959 179.0504 106 Q 4.0861 7.5504 116.3704 58.6551 28.6890 177.9096 107 T 4.2655 7.7906 115.4142 63.5533 69.0693 175.1059 108 L 3.9928 6.8378 121.9018 55.7468 42.5107 176.2822 109 G 4.1442 8.3364 111.6833 45.4419 0.0000 171.9661 110 T 4.1430 8.5124 117.1424 62.5068 69.6570 175.0062 111 I 4.0406 8.3959 128.6166 62.9971 38.0277 175.3700 112 D 4.4094 7.0384 116.6909 51.9789 42.1981 172.8592 *114 R 4.2849 8.3133 117.6949 56.5702 31.3693 174.7343 115 V 4.7048 8.4460 125.4910 61.1092 34.1927 174.0888 116 D 4.8163 8.9709 127.9963 52.7703 43.0345 175.2924 117 Y 4.4491 8.5715 122.7063 57.3406 37.6208 175.6748 118 L 4.2765 8.3949 125.7005 57.2133 42.2538 177.8228 119 R 4.4968 7.8625 110.9294 54.1786 31.6842 172.3178 120 P 4.1486 0.0000 0.0000 63.4339 32.1153 178.0688 121 G 3.9138 8.5447 112.4619 44.6908 0.0000 172.3026 122 R 4.8863 9.0124 120.6209 54.3345 32.5281 176.2886 123 G 4.0466 7.9405 109.7099 44.6927 0.0000 172.4928 124 Q 4.2148 9.0490 119.5932 56.9561 29.4401 176.9541 125 I 4.5035 7.2204 117.6594 59.3831 41.2418 174.3753 126 F 5.0694 8.9903 125.7623 56.1366 41.2885 174.9765 127 T 5.1383 9.1196 119.9512 61.6540 72.0592 173.2344 128 G 5.0780 9.6338 113.0798 44.4993 0.0000 171.7121 129 T 5.3542 8.3402 112.8255 60.4167 72.6375 172.5089 130 G 4.3048 8.2764 107.6239 46.4275 0.0000 171.8475 131 S 4.7495 8.6619 112.3308 57.4412 66.6769 174.2263 132 V 4.3582 8.3525 121.4574 62.2205 31.9588 175.5963 133 I 4.3443 8.4143 120.3542 61.2394 39.3240 175.9070 134 R 4.4499 7.8043 123.8014 55.4792 32.5213 173.0597 135 A 4.9078 8.6977 128.9609 50.7285 20.5287 176.0807 136 G 4.2525 8.3914 108.5910 43.6533 0.0000 172.2734 137 N 4.7099 8.6930 116.5275 54.6910 39.3773 176.2163 138 R 4.8099 7.9186 110.8749 56.2509 31.7178 175.8632 139 V 4.8196 7.7627 118.7177 61.2489 35.1439 174.2239 140 S 5.0327 9.4440 123.1588 56.7634 67.0590 172.9383 141 V 4.9897 8.6990 123.0028 61.5307 33.9982 174.2622 142 C 5.4176 9.7441 124.0138 58.2798 33.0898 173.0377 143 R 5.1840 8.6636 119.3329 53.5046 33.8086 174.4362 *145 E 4.7871 8.3855 119.4433 56.3017 31.2640 173.8730 146 L 5.5092 9.0573 128.1646 53.5980 45.2248 174.7832 147 H 5.6019 9.2821 120.8514 54.2171 33.0238 171.9857 148 N 4.9628 8.5591 116.9765 51.0948 39.7330 175.4729 149 E 3.9540 8.0711 115.7062 58.8462 29.5292 177.6294 150 Q 4.1925 8.4135 117.5888 55.9792 29.1680 176.6025 151 G 3.8989 8.2996 107.3374 45.0729 0.0000 174.1425 152 T 3.8828 7.8079 117.5550 63.6091 68.8459 173.3190 153 H 4.8532 8.6656 124.4286 56.2427 29.7578 174.8250 154 I 4.3354 9.3577 125.2886 63.0177 38.7201 175.5600 155 A 4.7713 7.6143 120.8761 50.8205 22.6558 174.8319 156 F 5.5360 8.8654 117.7314 55.9129 42.7921 174.7726 157 G 4.5825 8.5018 106.5608 45.3117 0.0000 171.5166 158 T 5.0561 8.6773 116.4970 62.0148 72.4249 174.0643 159 G 4.1579 9.5629 113.6512 44.5917 0.0000 171.3655 160 T 4.9518 8.2914 119.3513 61.4172 70.5561 171.9109 161 Y 5.5217 9.3870 126.8348 57.1281 41.7424 178.3358 *163 V 4.2420 8.6261 120.8491 61.6113 33.5553 175.5828 164 G 4.1058 7.8360 113.7372 47.0596 0.0000 173.5095 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 12 S 8.32 4.53 0.00 3.96 3.91 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 13 N 8.61 4.46 0.00 2.95 3.02 0.00 0.00 6.34 6.89 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 14 P 0.00 4.25 0.00 2.29 2.36 0.00 3.71 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 2.09 2.07 0.00 15 I 7.73 3.67 1.93 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 1.69 0.60 1.00 0.00 0.00 16 Q 8.18 3.93 0.00 2.20 2.11 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 2.52 2.61 0.00 17 A 7.87 4.01 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 18 E 8.10 3.85 0.00 2.36 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 2.31 2.50 0.00 19 V 7.92 3.73 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 20 L 7.95 4.08 0.00 1.77 1.48 0.73 0.33 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 21 K 8.05 4.06 0.00 1.98 1.97 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 22 R 8.13 3.91 0.00 2.02 2.16 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 23 V 8.51 3.67 2.46 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 0.73 0.00 0.00 1.12 0.00 0.00 24 A 8.69 3.92 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 25 E 8.19 3.91 0.00 2.36 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 26 V 7.80 3.64 2.36 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 0.98 0.00 0.00 0.97 0.00 0.00 27 F 8.26 4.01 0.00 2.92 3.12 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 28 D 8.16 4.59 0.00 2.80 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 29 Q 8.12 4.46 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.22 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 30 H 8.32 4.74 0.00 3.19 3.28 0.00 5.79 0.00 0.00 0.00 0.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.39 4.09 1.79 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 0.71 0.00 0.00 0.55 0.00 0.00 32 P 0.00 4.19 0.00 2.20 2.13 0.00 3.59 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 2.10 2.15 0.00 33 F 8.17 4.43 0.00 3.02 3.05 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 34 H 8.07 4.25 0.00 3.31 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.98 4.63 0.00 2.83 2.85 0.00 0.00 6.99 7.98 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 36 L 7.52 4.08 0.00 1.74 1.74 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.33 4.16 0.00 1.37 1.50 0.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.26 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.71 4.14 0.00 1.56 1.49 0.79 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 D 9.48 5.16 0.00 2.69 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 41 I 8.44 4.21 1.86 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 0.96 0.27 0.83 0.00 0.00 42 K 8.55 4.16 0.00 1.75 1.95 0.00 1.81 0.00 0.00 1.98 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.45 7.81 43 R 7.81 4.81 0.00 1.79 1.78 0.00 3.20 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 44 Y 8.41 5.31 0.00 2.76 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 45 D 8.52 4.61 0.00 2.80 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 46 I 8.12 3.71 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.82 0.00 0.00 47 D 8.59 4.47 0.00 2.88 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 48 G 6.97 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 0.00 0.00 0.00 0.00 49 V 8.28 5.10 2.30 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 0.75 0.00 0.00 0.87 0.00 0.00 50 E 9.19 4.82 0.00 2.06 1.83 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 2.20 2.24 0.00 51 V 8.87 4.85 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 0.94 0.00 0.00 0.87 0.00 0.00 52 A 9.09 5.32 1.19 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 0.00 0.00 0.00 53 I 8.53 4.63 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.21 1.05 0.00 0.00 54 N 8.84 4.98 0.00 2.76 2.22 0.00 0.00 7.12 7.61 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 *56 K 8.43 4.14 0.00 1.97 1.99 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 57 P 0.00 4.21 0.00 2.20 2.19 0.00 3.61 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 2.13 2.16 0.00 58 E 8.17 4.11 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 59 L 8.15 4.49 0.00 1.82 1.68 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.53 4.43 1.98 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 1.27 0.58 0.99 0.00 0.00 61 G 9.05 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.72 4.84 0.00 2.68 2.68 0.00 0.00 7.08 7.93 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 63 I 8.62 3.68 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 1.31 0.66 0.92 0.00 0.00 64 H 8.39 4.22 0.00 3.12 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 9.23 4.16 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.51 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 66 Q 7.72 3.46 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 67 I 7.20 4.77 1.88 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 1.23 1.27 0.98 0.00 0.00 68 L 8.59 4.34 0.00 1.45 1.33 0.84 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.98 4.20 0.00 3.27 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.96 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 0.00 0.00 0.00 71 G 8.49 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.17 3.63 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 1.04 0.00 0.00 0.92 0.00 0.00 73 T 7.97 3.78 4.55 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 1.15 0.00 0.00 74 A 8.32 4.06 1.48 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 75 T 8.10 3.90 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 76 V 8.06 3.58 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 1.13 0.00 0.00 0.94 0.00 0.00 77 L 8.04 4.01 0.00 1.77 1.74 0.85 0.78 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 78 D 8.24 4.50 0.00 2.96 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 79 V 7.87 3.68 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 1.03 0.00 0.00 1.14 0.00 0.00 80 V 8.15 3.61 2.25 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 1.07 0.00 0.00 0.97 0.00 0.00 81 G 7.76 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 82 G 7.91 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 0.00 0.00 0.00 83 L 7.62 3.83 0.00 1.41 1.17 0.31 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.02 3.91 4.31 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 1.22 0.00 0.00 85 A 7.92 3.95 1.22 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 0.00 0.00 0.00 86 F 8.42 4.07 0.00 3.15 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 87 A 8.43 3.86 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 88 G 7.89 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 89 L 7.46 4.15 0.00 1.68 1.53 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.24 2.95 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 0.60 0.00 0.00 0.13 0.00 0.00 91 A 7.84 4.34 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 92 S 7.94 4.43 0.00 4.07 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 0.00 93 R 7.77 4.52 0.00 0.67 0.89 0.00 2.73 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.37 0.00 94 D 8.12 4.81 0.00 2.59 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 95 D 7.69 4.57 0.00 2.36 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 96 W 7.46 4.85 0.00 3.27 2.97 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 97 T 9.04 4.67 4.31 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 1.39 0.00 0.00 98 I 8.53 3.68 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.02 0.99 0.00 0.00 99 E 8.18 4.22 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 100 E 8.21 4.02 0.00 2.24 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 2.78 2.56 0.00 101 L 7.81 3.68 0.00 1.78 1.55 0.56 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.92 4.08 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 103 Q 8.32 4.12 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 104 R 7.49 4.12 0.00 1.86 2.08 0.00 3.49 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 1.80 1.41 0.00 105 L 8.24 3.68 0.00 1.63 1.75 -0.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.55 4.09 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 107 T 7.79 4.27 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 1.28 0.00 0.00 108 L 6.84 3.99 0.00 1.62 1.70 1.03 0.89 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 0.00 109 G 8.34 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.51 4.14 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 0.94 0.00 0.00 111 I 8.40 4.04 1.88 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 1.34 0.48 0.88 0.00 0.00 112 D 7.04 4.41 0.00 2.79 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 *114 R 8.31 4.28 0.00 1.94 1.89 0.00 3.13 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 115 V 8.45 4.70 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 0.13 0.00 0.00 0.88 0.00 0.00 116 D 8.97 4.82 0.00 2.60 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 0.00 117 Y 8.57 4.45 0.00 2.84 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 0.00 118 L 8.39 4.28 0.00 1.48 1.54 -0.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.86 4.50 0.00 1.87 1.84 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 120 P 0.00 4.15 0.00 2.08 2.09 0.00 3.69 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 2.05 2.13 0.00 121 G 8.54 3.91 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 0.00 0.00 0.00 122 R 9.01 4.89 0.00 1.88 1.91 0.00 3.34 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 123 G 7.94 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 0.00 124 Q 9.05 4.21 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 125 I 7.22 4.50 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.87 0.00 0.00 126 F 8.99 5.07 0.00 2.99 2.93 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 0.00 127 T 9.12 5.14 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 1.32 0.00 0.00 128 G 9.63 5.08 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 0.00 0.00 0.00 129 T 8.34 5.35 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 1.28 0.00 0.00 130 G 8.28 4.30 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 0.00 131 S 8.66 4.75 0.00 3.87 3.91 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 0.00 132 V 8.35 4.36 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 0.88 0.00 0.00 0.93 0.00 0.00 133 I 8.41 4.34 1.87 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 1.25 0.81 0.90 0.00 0.00 134 R 7.80 4.45 0.00 1.88 1.82 0.00 3.18 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 135 A 8.70 4.91 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 0.00 136 G 8.39 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 0.00 0.00 0.00 0.00 137 N 8.69 4.71 0.00 2.86 2.86 0.00 0.00 6.36 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 0.00 138 R 7.92 4.81 0.00 1.84 2.01 0.00 3.22 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 139 V 7.76 4.82 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 1.08 0.00 0.00 0.97 0.00 0.00 140 S 9.44 5.03 0.00 3.86 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 0.00 141 V 8.70 4.99 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 1.08 0.00 0.00 0.96 0.00 0.00 142 C 9.74 5.42 0.00 3.00 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 0.00 143 R 8.66 5.18 0.00 1.68 1.74 0.00 3.09 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.00 *145 E 8.39 4.79 0.00 2.05 1.91 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 2.63 2.42 0.00 146 L 9.06 5.51 0.00 1.81 1.50 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 H 9.28 5.60 0.00 3.34 3.56 0.00 5.30 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.56 4.96 0.00 2.50 3.06 0.00 0.00 7.16 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.07 3.95 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 150 Q 8.41 4.19 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 151 G 8.30 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 0.00 0.00 0.00 152 T 7.81 3.88 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 1.23 0.00 0.00 153 H 8.67 4.85 0.00 3.09 3.11 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 9.36 4.34 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.96 0.00 0.00 155 A 7.61 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.87 5.54 0.00 2.92 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 0.00 157 G 8.50 4.58 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 0.00 0.00 0.00 158 T 8.68 5.06 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 1.28 0.00 0.00 159 G 9.56 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.29 4.95 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 0.00 161 Y 9.39 5.52 0.00 2.87 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 *163 V 8.63 4.24 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 0.80 0.00 0.00 1.07 0.00 0.00 164 G 7.84 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.