NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4948 8.2893 118.7929 53.4362 33.1287 175.0801 2 P 4.6479 0.0000 0.0000 60.5457 32.2528 173.7102 3 H 5.0465 9.2812 117.2932 53.8213 32.5139 173.6302 4 S 4.8792 8.5227 114.1443 57.4023 63.7055 173.2599 5 V 4.4027 8.8324 126.7968 61.4190 34.1679 173.9659 6 T 5.0309 8.6206 124.3689 61.7818 70.6435 173.5340 7 L 4.8201 8.8514 126.6855 52.7821 44.5587 175.6825 8 R 4.3305 8.7968 124.3542 55.9537 30.8635 176.4715 9 G 4.3554 9.3911 114.7640 44.5410 0.0000 170.7730 10 P 4.9067 0.0000 0.0000 61.3389 32.8831 175.9149 11 S 2.9007 7.5003 114.7126 56.4379 63.4393 172.1249 12 P 3.9608 0.0000 0.0000 62.5684 31.6029 177.0451 13 W 4.6232 8.1825 121.1596 58.0407 29.6832 178.1834 14 G 4.4600 9.0243 106.3073 44.8903 0.0000 172.1630 15 F 5.4504 7.4565 112.2533 54.8660 41.3001 173.9874 16 R 4.7308 8.9772 119.0594 54.6654 32.5469 175.0734 17 L 5.3632 8.5001 123.2427 53.5255 45.1302 175.6072 18 V 4.3210 9.0126 117.9333 60.2682 36.2683 176.0050 19 G 3.8218 6.9722 107.6563 45.1922 0.0000 171.8038 20 G 4.3265 8.5525 103.8887 42.9982 0.0000 175.1342 21 R 3.8975 9.0981 121.2030 59.2972 30.0174 177.9052 22 D 4.5385 8.1344 114.2265 54.4421 39.7097 176.3496 23 F 4.5685 8.2059 117.7716 56.6298 39.5522 175.2866 24 S 3.7812 7.8547 115.1799 58.7331 61.0087 171.8763 25 A 4.8385 7.5599 118.2221 49.9742 22.4346 175.2201 26 P 4.6612 0.0000 0.0000 62.2530 33.4130 175.3075 27 L 4.4058 8.4773 123.3324 55.8492 43.0582 175.7414 28 T 5.1428 9.0366 122.9564 61.5483 73.1865 173.5210 29 I 4.3129 8.7286 127.2928 61.7892 37.5986 176.6307 30 S 4.5689 9.1940 122.0176 59.6273 64.6889 174.7979 31 R 4.7965 7.7708 117.0873 54.1651 34.8146 174.3653 32 V 4.7733 8.1585 120.6566 61.3766 34.5631 174.6279 33 H 4.6433 9.1839 125.8623 55.0998 29.7535 175.1150 34 A 4.1125 8.7196 126.4886 53.8111 18.6650 177.8475 35 G 3.9306 8.9383 109.8818 45.9326 0.0000 174.2177 36 S 4.6071 7.6447 115.3352 57.0658 65.9594 175.1910 37 K 4.0560 8.5916 120.2825 59.6339 31.7748 179.3648 38 A 4.1151 8.5908 121.0492 55.1918 18.2592 179.5856 39 A 3.9852 8.0197 119.1729 55.1890 18.2314 179.6108 40 L 3.9214 7.9528 117.8350 58.0277 42.2630 178.3501 41 A 4.1714 7.8811 117.5555 51.7080 18.5699 176.8769 42 A 3.7637 7.9762 119.0976 52.7890 16.7865 177.9923 43 L 4.3235 7.6649 118.9922 56.5520 42.5289 176.8587 44 C 4.9007 8.9328 118.9108 56.8558 32.1777 171.9717 45 P 4.5938 0.0000 0.0000 64.8063 31.1951 176.9066 46 G 4.0166 9.2109 111.9624 45.1013 0.0000 173.6437 47 D 4.6177 7.9751 120.3055 54.3853 42.2870 175.3104 48 L 4.8165 9.0063 123.0212 53.5485 43.7042 175.8750 49 I 4.4699 8.3342 125.6530 60.6782 36.8506 175.5039 50 Q 4.4372 9.3382 127.5000 56.9361 30.4313 175.8173 51 A 5.0563 7.6708 119.0499 50.5134 23.2756 175.3954 52 I 4.6177 8.5708 121.0075 60.3363 39.4137 175.9841 53 N 4.2210 10.3970 125.9780 54.2725 36.4813 175.7953 54 G 3.8400 8.4329 104.7934 45.1971 0.0000 173.2547 55 E 4.3816 7.9248 121.8298 53.9794 30.2575 175.1113 56 S 4.5039 8.6594 121.4470 59.2633 62.9596 173.8550 57 T 4.3511 8.6281 116.0494 61.4979 69.3373 176.0091 58 E 3.8820 7.9014 123.6438 59.1335 29.5346 177.4850 59 L 4.6399 7.6702 114.1939 54.4764 42.6610 176.2800 60 M 4.4897 7.8829 120.6440 55.0130 32.7291 176.4202 61 T 4.5663 8.6831 113.6182 61.4127 71.0040 175.0930 62 H 4.0215 9.5021 122.1050 59.8662 29.8339 177.2110 63 L 4.0149 8.0847 121.1901 58.0906 42.0873 178.4927 64 E 3.9859 8.2219 118.1104 59.3062 29.4302 179.2490 65 A 3.9786 8.0143 120.7253 55.1409 18.4190 179.3002 66 Q 3.9220 8.2905 118.4017 59.6538 29.2127 178.4549 67 N 4.3715 8.6599 117.7025 56.4734 38.3083 177.6405 68 R 4.0511 7.8080 118.3678 58.9827 30.2429 178.6878 69 I 4.0558 7.9566 119.7563 64.0143 37.0530 178.5244 70 K 4.2034 8.4650 119.0775 59.2466 32.0262 178.2288 71 G 3.8627 7.9849 105.0155 46.0956 0.0000 172.9370 72 C 4.4053 7.8894 122.2909 59.6644 31.7219 171.9127 *73 H 4.7731 8.3524 123.9628 56.4352 30.9455 174.1833 74 D 4.6937 7.9797 118.9001 56.4918 41.4730 177.8352 75 H 5.4051 8.1666 113.1241 54.1489 33.3309 172.8450 76 L 4.5006 8.6246 124.0481 53.4296 44.4031 174.9652 77 T 5.0358 9.1200 123.1242 61.7289 71.2726 173.2729 78 L 5.0860 9.0149 125.7455 52.8793 45.9220 175.2692 79 S 4.9924 8.6690 117.4863 56.8503 64.1678 172.9810 80 V 4.8677 8.5861 126.8575 61.1237 35.0308 174.1155 81 S 5.0761 8.6223 122.4922 56.7139 65.7984 174.1867 82 R 4.7226 8.4772 122.5175 54.1714 31.3443 174.6820 83 P 4.2543 0.0000 0.0000 62.5842 31.9416 175.8407 84 E 4.0580 8.5528 122.4360 57.9739 29.8461 177.3109 85 G 3.9256 9.0713 113.9425 45.0977 0.0000 172.2509 86 E 4.5647 7.7975 120.5753 54.3138 31.1591 175.2008 87 S 4.7894 8.4419 121.5000 56.7093 65.4451 172.8291 88 D 4.8599 8.4605 121.4454 52.4935 43.0293 175.8411 89 L 4.3557 8.4419 125.3110 54.9574 42.3810 176.2927 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 8.29 4.49 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 P 0.00 4.65 0.00 2.09 2.21 0.00 3.66 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 1.96 2.10 0.00 3 H 9.28 5.05 0.00 3.11 3.39 0.00 5.25 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.52 4.88 0.00 3.87 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 5 V 8.83 4.40 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 0.74 0.00 0.00 0.89 0.00 0.00 6 T 8.62 5.03 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 1.22 0.00 0.00 7 L 8.85 4.82 0.00 1.32 1.76 1.12 0.74 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 8 R 8.80 4.33 0.00 1.90 1.91 0.00 3.27 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 9 G 9.39 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.91 0.00 1.87 1.97 0.00 3.42 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 1.88 2.01 0.00 11 S 7.50 2.90 0.00 3.08 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 12 P 0.00 3.96 0.00 1.94 1.89 0.00 3.49 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 13 W 8.18 4.62 0.00 3.26 3.38 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 0.00 14 G 9.02 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.46 5.45 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 16 R 8.98 4.73 0.00 1.88 1.89 0.00 3.09 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 17 L 8.50 5.36 0.00 1.73 1.54 1.07 1.01 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 18 V 9.01 4.32 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 0.62 0.00 0.00 0.96 0.00 0.00 19 G 6.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.55 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 0.00 0.00 0.00 0.00 21 R 9.10 3.90 0.00 1.93 1.98 0.00 3.10 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 22 D 8.13 4.54 0.00 2.58 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 23 F 8.21 4.57 0.00 3.19 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 24 S 7.85 3.78 0.00 3.98 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 25 A 7.56 4.84 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 26 P 0.00 4.66 0.00 2.13 2.20 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 27 L 8.48 4.41 0.00 1.81 1.76 0.93 0.68 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 28 T 9.04 5.14 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 1.23 0.00 0.00 29 I 8.73 4.31 1.91 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.35 0.96 0.00 0.00 30 S 9.19 4.57 0.00 3.83 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 31 R 7.77 4.80 0.00 1.77 1.75 0.00 3.12 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 32 V 8.16 4.77 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 0.92 0.00 0.00 0.99 0.00 0.00 33 H 9.18 4.64 0.00 3.16 3.22 0.00 5.68 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 34 A 8.72 4.11 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 35 G 8.94 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 36 S 7.64 4.61 0.00 4.18 4.13 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 37 K 8.59 4.06 0.00 2.25 2.13 0.00 1.92 0.00 0.00 2.23 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.60 7.81 38 A 8.59 4.12 1.63 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 0.00 0.00 39 A 8.02 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.95 3.92 0.00 1.69 1.95 0.94 0.90 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 41 A 7.88 4.17 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 42 A 7.98 3.76 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 43 L 7.66 4.32 0.00 1.73 1.48 0.68 0.64 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 44 C 8.93 4.90 0.00 2.90 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 45 P 0.00 4.59 0.00 2.03 2.19 0.00 3.64 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 2.04 2.19 0.00 46 G 9.21 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 47 D 7.98 4.62 0.00 2.62 2.52 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 48 L 9.01 4.82 0.00 1.50 1.55 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.33 4.47 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 0.82 0.00 0.00 50 Q 9.34 4.44 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 51 A 7.67 5.06 1.15 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 0.00 0.00 52 I 8.57 4.62 1.86 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 1.27 0.71 0.88 0.00 0.00 53 N 10.40 4.22 0.00 2.76 2.85 0.00 0.00 7.20 5.12 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 54 G 8.43 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.92 4.38 0.00 2.00 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 2.23 2.22 0.00 56 S 8.66 4.50 0.00 3.85 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 57 T 8.63 4.35 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 58 E 7.90 3.88 0.00 1.96 2.04 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 2.33 2.31 0.00 59 L 7.67 4.64 0.00 1.66 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.88 4.49 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 61 T 8.68 4.57 4.56 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 1.23 0.00 0.00 62 H 9.50 4.02 0.00 3.67 3.64 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.08 4.01 0.00 1.89 1.71 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.22 3.99 0.00 2.29 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 2.35 2.36 0.00 65 A 8.01 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 66 Q 8.29 3.92 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 67 N 8.66 4.37 0.00 2.96 2.88 0.00 0.00 7.10 7.58 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 68 R 7.81 4.05 0.00 1.97 2.00 0.00 3.33 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.82 0.00 69 I 7.96 4.06 1.96 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 1.57 1.29 1.06 0.00 0.00 70 K 8.47 4.20 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 71 G 7.98 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 0.00 0.00 0.00 72 C 7.89 4.41 0.00 3.41 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *73 H 8.35 4.77 0.00 2.85 2.88 0.00 7.23 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.98 4.69 0.00 2.36 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 75 H 8.17 5.41 0.00 2.97 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.62 4.50 0.00 0.49 0.13 0.69 -0.06 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 77 T 9.12 5.04 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 1.19 0.00 0.00 78 L 9.01 5.09 0.00 1.33 1.35 0.62 0.50 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 79 S 8.67 4.99 0.00 3.84 3.75 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 80 V 8.59 4.87 1.73 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 0.80 0.00 0.00 0.74 0.00 0.00 81 S 8.62 5.08 0.00 3.76 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 82 R 8.48 4.72 0.00 1.70 1.85 0.00 3.27 0.00 0.00 3.87 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 83 P 0.00 4.25 0.00 2.16 1.98 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 84 E 8.55 4.06 0.00 1.90 1.86 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 2.29 2.37 0.00 85 G 9.07 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 86 E 7.80 4.56 0.00 1.94 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 2.22 2.24 0.00 87 S 8.44 4.79 0.00 3.86 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 88 D 8.46 4.86 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.44 4.36 0.00 1.61 1.48 0.91 0.88 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 * Residues marked with a * may have inaccurate shift predictions.