NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4112 8.3049 120.3489 55.3660 32.7690 174.4455 2 K 4.4258 8.2598 125.8285 52.6094 34.3079 175.1991 3 T 4.1063 8.9399 113.2698 60.8985 70.5471 172.9810 4 P 4.2244 0.0000 0.0000 66.1368 31.0406 178.6124 5 E 3.9676 8.1001 115.9311 58.9536 29.7354 177.5881 6 D 4.5958 7.6969 116.8161 54.2892 41.5214 176.5551 7 C 4.4273 7.3876 119.0477 60.0674 28.4793 173.6232 8 T 4.3871 8.3020 113.4986 61.2009 69.1637 173.9091 9 G 3.9986 7.1136 109.7428 44.3743 0.0000 173.9368 10 L 4.0254 8.1368 117.8794 57.2945 41.3983 179.2841 11 A 3.9947 8.0317 120.6376 55.3560 18.0668 179.2249 12 D 4.2826 8.0240 116.6891 57.4940 41.0031 178.8385 13 I 3.7338 7.4008 119.7006 64.6933 37.2053 178.8102 14 R 4.0475 8.5883 118.7251 58.6406 29.7185 178.6858 15 E 3.9200 8.4200 119.6471 59.2026 29.6212 178.6778 16 A 4.0491 7.7952 120.6621 55.0070 18.4968 179.7309 17 I 3.7062 7.8927 118.4685 64.4510 37.1518 178.3083 18 D 4.3420 8.1357 119.8275 57.3156 40.6727 178.7243 19 R 3.8855 7.7007 119.1747 59.6087 30.1052 178.5479 20 I 3.7156 7.8548 119.4137 64.6241 37.0417 178.2124 21 D 4.3862 8.5615 120.1103 57.2309 40.6129 178.6706 22 L 3.9575 8.1316 120.9803 58.0853 42.0812 178.6437 23 D 4.4003 8.2749 118.9646 57.3980 40.6724 178.8540 24 I 3.6917 7.8661 120.1596 64.5039 37.0869 178.6371 25 V 3.5955 8.0170 119.1697 66.1327 31.2933 178.0938 26 Q 4.0075 8.7264 117.9882 58.7075 28.5236 178.5140 27 A 4.0091 8.5017 122.1838 55.3014 18.3832 179.4233 28 L 4.1927 8.3258 117.9644 58.1702 41.4960 180.0001 29 G 3.7946 8.2465 104.7906 48.0866 0.0000 175.3751 30 R 4.1523 8.1610 121.1532 58.8836 30.1301 178.2951 31 R 4.0690 8.6685 119.2433 59.8858 29.9062 178.1789 32 M 4.4508 8.3244 118.0099 58.6759 32.2564 177.8669 33 D 4.2368 7.9438 119.1865 57.6768 41.0381 178.4221 34 Y 4.1440 7.9327 116.5494 60.6793 37.7537 178.2280 35 V 3.7483 7.8304 118.8470 65.8464 32.0253 177.8910 36 K 3.6344 8.2676 118.3545 59.2898 31.6070 179.2126 37 A 3.9936 7.8421 120.0296 54.6857 18.1381 179.4081 38 A 4.3020 7.9393 119.1732 54.9093 17.9672 179.7620 39 S 4.4883 8.0565 112.4894 61.3949 62.8609 176.6953 40 R 3.9913 7.4672 120.9085 57.8290 29.7031 176.9864 41 F 4.9670 7.3980 116.1661 57.0168 39.3504 175.0667 42 A 4.7062 7.6710 123.3828 50.1492 20.3301 177.5216 43 A 4.3004 8.7746 126.8023 54.9906 19.1772 176.9151 44 S 4.4292 7.3682 108.6058 56.7598 65.6683 174.8185 45 E 2.8908 7.3972 121.0353 58.6894 29.3823 178.6266 46 A 3.9903 7.5329 119.9341 54.1452 18.6329 177.8510 47 A 4.2163 7.2435 117.0586 53.6493 19.0356 179.0966 48 I 3.8531 7.3395 116.2794 63.9331 37.2833 176.8950 49 P 3.8180 0.0000 0.0000 64.1712 31.8679 176.7900 50 A 3.7521 7.4712 116.3478 52.3148 15.8782 175.1052 51 P 4.3089 0.0000 0.0000 64.7550 31.9660 177.8650 52 E 3.9039 8.1006 117.9981 59.0126 29.5357 178.7600 53 R 3.8390 7.8719 118.4682 59.2360 30.2600 178.3829 54 V 3.4942 7.7814 117.3134 66.2437 31.3391 177.6315 55 A 3.9787 8.1118 119.0184 54.9906 18.1100 178.9052 56 A 4.1347 7.8758 118.5619 54.8281 18.8993 179.5771 57 M 3.7152 8.3023 117.8324 58.4178 31.9959 178.9654 58 L 3.8578 7.7036 119.0480 57.3007 41.9102 177.8448 59 P 4.1456 0.0000 0.0000 65.5564 31.0872 177.9593 60 E 3.3528 7.3220 118.9170 59.1105 29.5051 179.0039 61 R 3.3437 7.3292 117.7145 58.8515 29.8609 178.8498 62 A 3.9742 7.8514 120.6208 55.0563 18.3516 179.6969 63 R 3.8151 7.7465 117.0992 59.4037 30.3599 178.6383 64 W 4.4699 7.7106 118.0603 59.7884 29.0489 178.0173 65 A 4.2218 8.2286 120.6175 55.5995 17.9289 179.6154 66 E 4.1281 7.9065 116.8337 59.5925 29.4038 179.0428 67 E 4.3607 8.2800 115.9247 57.7823 29.4862 177.1451 68 N 4.9238 7.4429 114.1798 52.6824 39.6057 174.5782 69 G 3.9109 8.3787 105.3625 46.3493 0.0000 173.7957 70 L 4.8703 7.7655 117.9227 52.0105 44.7975 176.6726 71 D 4.4242 8.7015 122.1537 54.5174 41.4950 176.9924 72 A 3.9703 8.8301 126.5274 54.8128 18.4944 177.7961 73 P 4.1709 0.0000 0.0000 65.9034 31.4313 178.4251 74 F 4.2146 8.2911 118.6549 61.3739 39.4113 177.2048 75 V 3.3186 7.3919 114.7709 65.6262 31.2754 177.4949 76 E 4.0589 8.4742 119.4512 59.4212 29.5264 179.1657 77 G 3.5432 8.2942 105.8980 47.5040 0.0000 175.3116 78 L 3.6877 7.8297 123.0458 58.0873 42.0617 179.2791 79 F 3.8986 8.2757 117.3011 60.0020 38.7678 177.4373 80 A 4.0490 8.2721 120.8484 55.5280 18.3001 179.7540 81 Q 4.0448 8.0445 116.2931 59.0340 28.7516 179.0130 82 I 3.8760 7.8014 120.7919 64.5986 37.1348 178.3972 83 I 3.8284 8.3824 120.8203 65.0375 37.0877 178.3441 84 H 4.2822 8.3405 116.8661 58.4357 28.3911 177.7748 85 W 4.1537 8.4002 129.9107 60.7612 30.5743 177.6665 86 Y 3.8263 8.6980 116.7423 60.9755 37.2961 178.6335 87 I 3.7052 8.2904 120.8590 64.5263 37.2896 178.3826 88 A 3.9692 7.8575 121.2018 55.1199 18.1088 179.5470 89 E 3.6046 7.9855 117.4871 59.2917 29.2949 179.3845 90 Q 4.0053 8.4346 120.1284 59.2756 29.0877 178.2847 91 I 3.7488 7.8742 120.8886 64.2719 36.9616 178.3571 92 K 3.9776 8.1555 120.5668 59.5982 32.1500 178.3438 93 Y 3.9827 8.2696 120.0907 60.2028 38.6840 177.5310 94 W 4.0118 9.0067 129.7801 60.6760 30.8775 178.0620 95 R 4.0929 8.6758 118.6304 59.2447 29.3167 178.6506 96 Q 4.0867 7.7123 115.7769 57.8259 29.0611 177.1850 97 T 4.0947 7.1475 109.6680 61.8302 69.8709 175.2117 98 R 3.9057 7.5968 117.9966 55.4484 32.1403 175.6107 *99 G 3.6170 7.4310 111.5869 45.6284 0.0000 172.5892 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 8.30 4.41 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 K 8.26 4.43 0.00 1.85 1.70 0.00 1.95 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.49 7.81 3 T 8.94 4.11 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 4 P 0.00 4.22 0.00 2.18 2.16 0.00 3.60 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 2.12 2.16 0.00 5 E 8.10 3.97 0.00 1.96 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 2.29 2.40 0.00 6 D 7.70 4.60 0.00 2.63 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 7 C 7.39 4.43 0.00 3.06 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 8 T 8.30 4.39 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 1.24 0.00 0.00 9 G 7.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.03 0.00 1.70 1.72 0.92 0.67 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 11 A 8.03 3.99 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 12 D 8.02 4.28 0.00 2.87 2.73 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 13 I 7.40 3.73 2.01 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 1.67 1.18 0.91 0.00 0.00 14 R 8.59 4.05 0.00 1.86 1.97 0.00 3.25 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 15 E 8.42 3.92 0.00 2.13 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 2.31 2.33 0.00 16 A 7.80 4.05 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 17 I 7.89 3.71 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 1.53 0.65 0.91 0.00 0.00 18 D 8.14 4.34 0.00 2.74 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 19 R 7.70 3.89 0.00 1.96 2.11 0.00 3.15 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 1.63 1.73 0.00 20 I 7.85 3.72 2.01 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 1.53 0.74 0.93 0.00 0.00 21 D 8.56 4.39 0.00 2.83 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 22 L 8.13 3.96 0.00 1.94 1.79 0.93 1.14 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 23 D 8.27 4.40 0.00 2.95 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 24 I 7.87 3.69 2.02 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 1.43 0.86 0.90 0.00 0.00 25 V 8.02 3.60 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 1.12 0.00 0.00 0.98 0.00 0.00 26 Q 8.73 4.01 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 27 A 8.50 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 28 L 8.33 4.19 0.00 1.94 1.96 0.91 1.18 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 29 G 8.25 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 30 R 8.16 4.15 0.00 2.05 2.18 0.00 3.31 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 31 R 8.67 4.07 0.00 2.09 2.18 0.00 2.91 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 32 M 8.32 4.45 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 33 D 7.94 4.24 0.00 2.76 2.44 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 34 Y 7.93 4.14 0.00 3.27 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 35 V 7.83 3.75 2.35 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 1.01 0.00 0.00 1.16 0.00 0.00 36 K 8.27 3.63 0.00 1.50 0.74 0.00 1.48 0.00 0.00 1.21 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.34 1.12 7.81 37 A 7.84 3.99 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 38 A 7.94 4.30 1.57 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 39 S 8.06 4.49 0.00 4.51 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 40 R 7.47 3.99 0.00 1.05 1.55 0.00 3.00 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 41 F 7.40 4.97 0.00 3.06 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 42 A 7.67 4.71 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 43 A 8.77 4.30 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 44 S 7.37 4.43 0.00 3.80 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 45 E 7.40 2.89 0.00 1.21 1.57 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 2.17 2.10 0.00 46 A 7.53 3.99 1.20 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 0.00 0.00 47 A 7.24 4.22 1.28 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 0.00 0.00 48 I 7.34 3.85 1.87 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.94 0.00 0.00 49 P 0.00 3.82 0.00 2.02 2.13 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 50 A 7.47 3.75 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 51 P 0.00 4.31 0.00 2.16 2.12 0.00 3.59 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 2.10 2.14 0.00 52 E 8.10 3.90 0.00 2.02 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 2.35 2.35 0.00 53 R 7.87 3.84 0.00 1.98 2.10 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 54 V 7.78 3.49 2.19 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 0.95 0.00 0.00 0.96 0.00 0.00 55 A 8.11 3.98 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 56 A 7.88 4.13 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 57 M 8.30 3.72 0.00 1.92 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 58 L 7.70 3.86 0.00 1.66 1.79 0.93 1.05 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 59 P 0.00 4.15 0.00 2.13 2.23 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 60 E 7.32 3.35 0.00 1.81 1.64 0.00 0.00 0.00 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 1.65 0.00 61 R 7.33 3.34 0.00 1.73 1.62 0.00 3.06 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 62 A 7.85 3.97 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 63 R 7.75 3.82 0.00 1.80 1.86 0.00 3.26 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 1.67 1.67 0.00 64 W 7.71 4.47 0.00 3.56 3.02 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 65 A 8.23 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.91 4.13 0.00 2.19 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 2.36 2.38 0.00 67 E 8.28 4.36 0.00 2.21 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 0.00 2.40 2.56 0.00 68 N 7.44 4.92 0.00 2.89 2.82 0.00 0.00 7.03 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 69 G 8.38 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 70 L 7.77 4.87 0.00 1.79 1.65 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.70 4.42 0.00 2.77 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 72 A 8.83 3.97 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 73 P 0.00 4.17 0.00 2.24 2.20 0.00 3.66 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 2.16 2.21 0.00 74 F 8.29 4.21 0.00 3.07 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 75 V 7.39 3.32 2.26 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 1.17 0.00 0.00 1.16 0.00 0.00 76 E 8.47 4.06 0.00 2.07 2.11 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 2.30 2.31 0.00 77 G 8.29 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.83 3.69 0.00 1.05 1.43 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.28 3.90 0.00 3.19 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 80 A 8.27 4.05 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.04 4.04 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 82 I 7.80 3.88 1.91 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.90 0.00 0.00 83 I 8.38 3.83 1.93 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 1.58 0.95 0.89 0.00 0.00 84 H 8.34 4.28 0.00 3.39 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.40 4.15 0.00 3.56 3.46 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 86 Y 8.70 3.83 0.00 3.33 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 87 I 8.29 3.71 2.07 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 1.48 1.17 0.93 0.00 0.00 88 A 7.86 3.97 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 89 E 7.99 3.60 0.00 1.52 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 1.47 1.47 0.00 90 Q 8.43 4.01 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 91 I 7.87 3.75 2.01 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 1.33 0.61 0.92 0.00 0.00 92 K 8.16 3.98 0.00 1.90 1.93 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 93 Y 8.27 3.98 0.00 3.01 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 94 W 9.01 4.01 0.00 3.57 3.32 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 95 R 8.68 4.09 0.00 2.13 2.02 0.00 3.22 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 96 Q 7.71 4.09 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.08 0.00 97 T 7.15 4.09 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 0.40 0.00 0.00 98 R 7.60 3.91 0.00 0.67 0.69 0.00 2.96 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 *99 G 7.43 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.