NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3381 8.3349 115.2953 57.6276 64.4024 173.3834 3 E 4.1475 7.6725 124.2798 53.7404 30.0889 174.8449 4 I 4.7362 7.9393 117.6713 58.6164 41.3147 175.8552 5 S 4.4401 9.0930 118.0886 57.3777 65.3457 173.6824 6 P 4.1463 0.0000 0.0000 65.8440 31.0185 178.9073 7 E 3.9149 7.9976 117.0264 59.1713 29.3335 179.1557 8 Q 3.4292 7.8533 118.1349 58.6883 28.6912 178.4731 9 R 3.6765 7.6557 119.7148 59.9490 29.9128 178.5998 10 T 4.0227 7.9161 116.1543 66.0418 68.4447 176.5414 11 A 3.9805 7.8737 122.6842 55.3063 18.3733 179.7287 12 F 4.5802 8.2327 116.5794 60.4580 39.0484 177.9904 13 E 4.0085 8.5601 118.3402 59.5026 29.2609 179.2192 14 A 4.2090 8.3543 120.7678 55.1958 18.4382 179.5739 15 A 4.0288 8.2770 119.3822 55.2188 18.4256 180.0835 16 V 3.6283 8.0699 116.9673 65.8529 31.5614 178.0730 17 F 4.2782 8.5673 120.7130 61.5513 39.3108 177.4333 18 R 3.8666 8.4550 117.6392 58.9651 29.7401 179.4275 19 R 3.8887 7.9901 118.2933 59.0301 30.0174 178.4167 20 L 3.9233 8.0231 120.3186 58.4006 41.9757 179.1798 21 L 3.7077 7.5734 118.6656 57.3843 41.4656 178.5897 22 E 3.8098 8.0296 119.4036 59.9702 29.4370 178.5719 23 H 4.0858 8.3256 117.6236 59.3929 29.7713 177.3348 24 L 4.0237 8.0540 119.8072 57.6018 41.4326 179.3898 25 R 4.1397 7.6500 117.7732 59.0350 30.0615 178.1447 26 E 4.1625 8.0943 118.2447 58.1379 30.7890 177.6202 27 R 4.6303 8.2683 121.4945 54.5438 28.4078 178.1211 28 S 4.4202 8.0310 114.1968 61.2884 63.8966 175.8638 29 D 4.3025 8.1630 120.5375 55.8866 39.2818 175.6070 30 V 3.9169 7.7627 119.3431 62.2964 30.5005 175.7911 31 Q 4.2742 8.4635 126.8019 55.7731 30.1990 177.0284 32 N 4.3284 8.9408 122.2157 56.2744 38.8082 177.3988 33 I 3.8469 7.7072 112.9428 64.2174 37.9885 177.3928 34 D 4.5527 8.1033 120.6338 56.7771 40.6834 178.9056 35 L 3.7362 7.7522 116.0596 56.2142 41.8647 178.7091 *37 N 4.5837 8.1972 116.6997 53.4238 40.3422 175.7503 38 L 4.0219 8.4624 118.2184 57.6867 42.0001 177.5022 39 A 4.6086 8.3474 118.4809 50.8598 20.0852 177.1561 40 G 4.2106 8.7020 103.3124 45.6413 0.0000 173.0053 41 F 4.9472 7.3584 113.1780 55.6862 41.5421 172.7632 42 C 4.2956 7.7963 112.7690 56.7517 31.4394 174.3137 43 R 3.8582 8.2208 117.0980 59.2609 29.3109 178.7237 44 N 4.3065 7.9395 116.5017 56.2740 38.6499 176.9804 45 C 3.6928 7.7028 117.6933 62.3372 28.1382 175.9507 46 L 3.9246 7.4319 120.3720 57.9476 40.7309 179.6550 47 S 4.1421 7.8285 114.9657 61.6120 62.7517 176.4485 48 N 4.3559 8.1422 119.6223 56.5570 38.7736 177.0510 49 W 4.5507 8.4562 120.8621 59.9119 28.9993 177.9565 50 Y 3.9365 8.4173 119.6119 60.5623 38.2835 177.6488 51 R 4.0086 8.5061 119.9989 59.8728 30.1765 178.2393 52 E 4.0572 8.9078 118.1940 59.2709 29.5242 179.3709 53 A 3.8695 8.0712 120.5870 54.9379 18.3916 179.4581 54 A 3.8410 8.0124 119.4846 55.4458 18.5018 179.5570 55 E 3.9781 8.6085 117.2240 59.7476 29.3452 179.6385 56 A 4.0344 7.8979 119.3494 54.7895 18.4743 178.8836 57 S 4.4629 7.6132 110.9283 58.4489 63.1046 174.7944 58 G 3.7138 8.0777 109.9454 45.9044 0.0000 174.0283 59 V 4.1287 7.6618 120.4347 59.7819 31.5000 173.6251 60 P 4.3293 0.0000 0.0000 62.3334 32.1513 176.4080 *62 S 4.2732 8.1327 113.9615 57.7526 65.2058 174.5027 63 K 3.7942 8.4292 122.2750 60.1671 31.8066 178.5314 64 E 4.0649 8.1152 117.6802 58.9500 29.5762 178.9990 65 E 4.0097 8.1694 119.2233 59.3850 29.6099 179.4446 66 S 4.1470 8.0043 113.8459 61.3308 63.0849 176.8389 67 R 4.0514 7.7865 122.7260 58.5166 29.8341 178.3402 68 E 4.0726 8.2433 119.1619 59.3753 29.2792 179.0737 69 I 3.5904 7.3010 118.4066 64.3612 37.2438 178.3292 70 V 3.5236 7.2496 117.3708 66.1811 31.4459 177.3632 71 Y 3.8748 8.3871 115.6607 58.5257 37.7364 176.7208 72 G 3.7624 7.8325 106.7324 45.7836 0.0000 171.7133 *74 P 4.2119 0.0000 0.0000 61.8744 33.5298 176.7093 75 Y 3.9489 8.5509 122.0947 60.6270 38.5894 178.5482 76 E 3.7227 8.0880 119.1233 59.5102 29.5153 178.7865 77 E 3.9658 8.1860 116.5017 59.0864 29.4927 179.0532 78 W 4.2564 7.8981 128.1293 60.3202 30.7535 178.2520 79 R 3.6506 7.9541 114.3451 58.2372 29.2664 178.1194 80 T 4.0458 7.6960 110.8976 64.0763 68.7091 175.8566 81 Q 4.3284 7.1577 117.9770 54.5241 29.3808 176.8326 82 N 4.0398 7.6299 118.0472 54.7058 39.1096 176.1786 *84 G 3.7905 8.8018 106.4706 44.4108 0.0000 171.3939 85 E 4.5181 7.7332 119.9627 53.4904 31.6301 175.1972 86 A 4.0647 8.5239 128.1525 52.6038 19.0237 178.0969 87 S 4.4418 8.5719 115.7589 57.3221 65.4197 173.6562 88 P 4.2369 0.0000 0.0000 65.8821 30.9917 178.7841 89 E 4.0078 8.1255 115.8022 59.3480 29.8197 179.0611 90 Q 4.1555 7.9511 119.0623 58.4495 28.7106 178.4197 91 K 3.9398 8.4362 119.7494 59.6505 31.9690 178.9454 92 A 3.9166 7.8812 119.1437 55.3618 18.2599 179.2244 93 A 3.8430 7.6407 118.1951 54.1616 18.5714 178.2835 94 F 4.9024 7.9785 111.9646 57.0632 41.5066 175.3406 95 E 4.7736 8.2786 120.9009 54.9562 28.9068 175.3582 96 R 4.6909 7.2306 119.0680 57.7439 37.2896 173.9449 97 N 4.5302 7.9749 119.8990 53.5841 38.5031 175.1344 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.34 0.00 3.86 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 3 E 7.67 4.15 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 4 I 7.94 4.74 1.90 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 1.54 0.67 1.09 0.00 0.00 5 S 9.09 4.44 0.00 3.98 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 6 P 0.00 4.15 0.00 2.12 2.09 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 7 E 8.00 3.91 0.00 1.97 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 2.35 2.40 0.00 8 Q 7.85 3.43 0.00 1.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 9 R 7.66 3.68 0.00 1.76 1.98 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 10 T 7.92 4.02 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 1.15 0.00 0.00 11 A 7.87 3.98 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 12 F 8.23 4.58 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.56 4.01 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 14 A 8.35 4.21 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 15 A 8.28 4.03 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 16 V 8.07 3.63 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 1.10 0.00 0.00 1.05 0.00 0.00 17 F 8.57 4.28 0.00 3.21 3.30 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 18 R 8.45 3.87 0.00 2.05 1.97 0.00 3.23 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.09 0.00 19 R 7.99 3.89 0.00 2.04 1.97 0.00 3.47 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 20 L 8.02 3.92 0.00 1.74 1.71 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.57 3.71 0.00 1.65 1.45 0.63 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.03 3.81 0.00 2.03 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 0.00 2.33 2.35 0.00 23 H 8.33 4.09 0.00 3.38 3.49 0.00 5.83 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 24 L 8.05 4.02 0.00 1.51 1.62 0.88 1.03 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 25 R 7.65 4.14 0.00 1.98 2.03 0.00 3.11 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 26 E 8.09 4.16 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 2.30 2.37 0.00 27 R 8.27 4.63 0.00 1.82 1.88 0.00 3.32 0.00 0.00 3.28 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 28 S 8.03 4.42 0.00 3.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.16 4.30 0.00 2.85 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 30 V 7.76 3.92 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 0.79 0.00 0.00 0.96 0.00 0.00 31 Q 8.46 4.27 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 32 N 8.94 4.33 0.00 2.81 2.91 0.00 0.00 7.02 7.45 0.00 0.00 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 I 7.71 3.85 1.88 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 1.68 0.55 0.93 0.00 0.00 34 D 8.10 4.55 0.00 2.83 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 35 L 7.75 3.74 0.00 1.79 1.58 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 *37 N 8.20 4.58 0.00 2.86 2.91 0.00 0.00 7.02 7.85 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 38 L 8.46 4.02 0.00 1.56 1.70 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.35 4.61 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.70 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 0.00 0.00 0.00 41 F 7.36 4.95 0.00 2.91 3.09 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 42 C 7.80 4.30 0.00 3.16 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 43 R 8.22 3.86 0.00 1.46 1.25 0.00 2.21 0.00 0.00 2.71 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.73 0.00 44 N 7.94 4.31 0.00 2.68 2.75 0.00 0.00 7.18 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 45 C 7.70 3.69 0.00 2.48 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 0.00 0.00 0.00 0.00 46 L 7.43 3.92 0.00 1.85 1.88 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.83 4.14 0.00 3.98 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 48 N 8.14 4.36 0.00 2.77 2.77 0.00 0.00 7.23 7.53 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 49 W 8.46 4.55 0.00 3.55 3.03 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 50 Y 8.42 3.94 0.00 3.31 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 51 R 8.51 4.01 0.00 2.13 2.18 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 52 E 8.91 4.06 0.00 2.23 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 2.74 0.00 53 A 8.07 3.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.01 3.84 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 55 E 8.61 3.98 0.00 1.99 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 2.52 2.60 0.00 56 A 7.90 4.03 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 57 S 7.61 4.46 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.08 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 59 V 7.66 4.13 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 0.86 0.00 0.00 0.93 0.00 0.00 60 P 0.00 4.33 0.00 2.09 2.00 0.00 3.77 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 2.03 2.08 0.00 *62 S 8.13 4.27 0.00 4.08 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.43 3.79 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 E 8.12 4.06 0.00 2.03 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 2.39 2.36 0.00 65 E 8.17 4.01 0.00 2.07 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 2.35 2.33 0.00 66 S 8.00 4.15 0.00 4.27 4.20 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 67 R 7.79 4.05 0.00 1.93 1.89 0.00 2.76 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 68 E 8.24 4.07 0.00 2.18 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 0.00 2.33 2.40 0.00 69 I 7.30 3.59 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.23 0.00 0.00 70 V 7.25 3.52 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 0.40 0.00 0.00 0.87 0.00 0.00 71 Y 8.39 3.87 0.00 2.93 2.80 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 72 G 7.83 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 0.00 0.00 0.00 *74 P 0.00 4.21 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.38 0.00 75 Y 8.55 3.95 0.00 2.64 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 76 E 8.09 3.72 0.00 2.07 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 2.39 2.44 0.00 77 E 8.19 3.97 0.00 2.11 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 2.33 2.38 0.00 78 W 7.90 4.26 0.00 3.39 3.17 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 79 R 7.95 3.65 0.00 1.84 1.66 0.00 2.72 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 80 T 7.70 4.05 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 1.13 0.00 0.00 81 Q 7.16 4.33 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 82 N 7.63 4.04 0.00 2.65 1.75 0.00 0.00 6.96 8.48 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 *84 G 8.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.73 4.52 0.00 1.82 1.75 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 2.15 2.21 0.00 86 A 8.52 4.06 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 87 S 8.57 4.44 0.00 4.23 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 88 P 0.00 4.24 0.00 2.18 2.15 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 2.23 2.16 0.00 89 E 8.13 4.01 0.00 2.14 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 0.00 2.38 2.35 0.00 90 Q 7.95 4.16 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 91 K 8.44 3.94 0.00 1.93 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.49 7.81 92 A 7.88 3.92 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 93 A 7.64 3.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.98 4.90 0.00 3.02 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 95 E 8.28 4.77 0.00 2.15 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 2.28 2.28 0.00 96 R 7.23 4.69 0.00 1.69 1.78 0.00 3.29 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 97 N 7.97 4.53 0.00 2.73 2.72 0.00 0.00 6.73 7.56 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 * Residues marked with a * may have inaccurate shift predictions.