NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3661 0.0000 0.0000 62.6706 32.6553 174.8454 2 Q 4.4025 8.4305 119.7830 53.7712 30.6348 173.1755 3 I 4.4660 8.0389 125.6588 59.5851 40.5527 175.2670 4 T 4.3257 8.4341 115.8595 61.2097 70.0085 174.1281 5 L 4.6943 7.6628 117.7291 54.2366 42.4848 178.1090 6 W 4.3819 8.2146 121.4319 58.8455 29.1306 176.2562 7 K 4.7723 7.6880 114.9655 53.7024 34.9988 175.8591 8 R 3.9524 8.4857 119.5407 56.4951 30.9014 176.4565 9 P 4.6798 0.0000 0.0000 62.2248 29.2943 174.9735 10 L 4.9070 7.5743 121.6775 54.8912 43.3537 177.7591 11 V 4.6198 8.8307 115.6933 59.8816 36.6056 174.4779 12 T 4.8752 8.4595 118.9809 62.9179 69.4364 174.4451 13 I 4.8087 9.0661 119.0356 59.0415 41.5887 173.9910 14 R 5.0528 8.6311 123.5741 54.7032 32.6757 174.7526 15 I 4.4364 9.1121 126.5681 60.3047 41.7703 174.7080 16 G 3.7794 9.4769 118.9606 46.7438 0.0000 173.5014 17 G 3.9604 8.5277 104.3586 45.7358 0.0000 174.0406 18 Q 4.6094 7.6534 116.3046 53.8158 31.7453 173.5891 19 L 5.0822 8.2785 118.7078 53.7004 43.1880 176.1603 20 K 4.7306 9.0834 121.9891 54.6188 36.8144 174.5916 21 E 5.0390 8.6770 122.2159 55.1619 31.2044 174.7779 22 A 4.8330 8.9539 126.4683 50.6659 23.7091 174.4699 23 L 4.8208 8.9197 122.2402 53.5878 43.8681 175.7130 24 L 4.4367 8.7514 127.5515 54.8124 42.1830 176.4732 25 N 4.9313 9.2389 124.2931 51.7374 40.5803 174.9227 26 T 4.0737 8.7309 116.3884 63.2434 69.3356 175.6439 27 G 3.7989 8.2637 110.1928 45.6350 0.0000 173.0200 28 A 4.6693 7.5686 122.7763 49.9959 21.1468 177.5503 29 D 4.4279 8.9743 122.7351 56.7648 42.3569 175.9327 30 D 5.4975 8.0319 116.0197 52.6999 45.6270 174.8908 31 T 4.9201 7.9840 116.1313 62.1329 70.6914 174.2835 32 V 4.9227 8.5972 125.9533 61.1602 34.7816 174.1620 33 I 5.0902 8.7654 128.7094 58.8812 40.5566 175.1591 34 E 4.7875 9.2429 124.5197 55.6037 30.1648 176.4877 35 E 3.7843 8.7021 118.7734 57.2458 30.1430 176.9129 *37 N 4.4238 8.5969 119.7115 53.1219 39.7245 173.9200 38 L 4.6376 7.8964 121.9710 52.1198 45.2942 174.7504 39 P 4.6950 0.0000 0.0000 62.7148 33.4825 178.5066 40 G 4.0143 8.2852 108.3855 44.0566 0.0000 176.7191 *42 W 4.5545 8.3598 119.1836 55.8420 29.2282 173.1196 43 K 4.6307 8.5323 119.4080 53.8168 34.6069 174.2257 44 P 4.9959 0.0000 0.0000 62.8314 31.9646 175.8608 45 K 4.3575 8.8358 127.1552 55.4068 36.1099 175.0159 *47 I 4.2611 8.4309 110.9313 60.7367 38.7256 174.6871 48 G 3.4837 8.2133 109.1950 43.5611 0.0000 173.1601 49 G 3.9144 8.1826 108.3295 44.1455 0.0000 172.8128 50 I 3.6292 8.5327 118.2520 63.3855 37.9250 177.6018 51 G 3.9121 9.3757 106.5278 45.1042 0.0000 174.1333 52 G 3.7004 6.0692 106.3445 44.9467 0.0000 171.7369 53 F 5.0896 8.5050 120.5820 55.5406 41.4916 174.5440 54 I 4.7641 8.4976 117.4172 58.9991 40.5936 174.7766 55 K 4.6998 8.5499 122.2081 55.7974 33.3021 176.5648 56 V 4.6613 9.0769 116.8781 59.6764 36.7275 174.4670 57 R 4.7645 8.8150 121.6011 55.0327 31.7295 175.4428 58 Q 4.6878 9.4749 126.6051 55.0976 30.7161 173.6106 59 Y 5.0013 9.1080 125.1100 56.6015 40.0268 174.9883 60 D 5.0417 8.9496 123.7248 52.8309 43.2390 175.9052 61 Q 3.3617 8.3339 116.7761 57.1165 26.4893 174.3918 62 I 4.3585 7.9161 118.5158 59.4712 39.0862 175.2752 63 P 4.8734 0.0000 0.0000 62.6501 32.1777 176.1689 64 V 4.5856 9.0177 123.5904 61.3639 35.4533 172.9840 65 E 4.9389 9.1058 128.9505 54.2071 31.6395 176.2086 66 I 4.5901 8.9343 129.5285 61.2330 38.0244 177.4540 *68 G 3.8606 8.1497 108.8668 45.1269 0.0000 173.0654 69 H 4.7795 8.2682 118.4691 53.9088 30.4594 173.8020 70 K 4.8514 8.5100 123.3245 55.6735 33.1264 175.9785 71 A 4.9259 9.0684 125.2515 50.3942 23.3116 175.2839 72 I 4.8062 9.1451 120.2167 60.7418 40.6252 174.8192 73 G 4.1075 8.6429 114.9293 46.1808 0.0000 170.9865 74 T 4.8579 8.6709 117.0677 63.3752 69.4022 174.7042 75 V 4.4787 9.0711 126.0601 61.0915 34.7595 174.0156 76 L 5.1470 9.1689 128.0176 53.3659 44.1081 175.5194 77 V 4.7348 8.4433 123.2918 61.3622 34.4197 175.0049 78 G 4.0350 8.2023 113.6995 44.8788 0.0000 171.3376 79 P 5.0665 0.0000 0.0000 62.4674 30.1662 176.6609 80 T 4.1144 7.3878 112.4846 61.7913 68.4161 172.4571 81 P 4.3978 0.0000 0.0000 64.8362 31.7938 176.6826 82 V 4.3958 7.3316 118.3666 60.7138 34.6576 174.1632 83 N 4.8219 8.7915 124.8333 53.4351 39.7363 173.8757 84 I 4.9580 8.9632 116.9429 59.1658 41.3548 174.2595 85 I 4.3751 9.0550 126.8901 60.1429 38.9138 175.6799 86 G 4.5774 8.3715 115.7844 43.8565 0.0000 174.0535 87 R 4.1195 9.0375 118.4777 58.9026 30.2282 179.1700 88 N 4.3335 7.9319 114.6478 55.3200 37.2579 176.3989 89 L 4.4227 7.7681 117.5333 56.0707 42.0666 178.5412 90 L 4.0089 8.0034 119.4305 58.0293 41.6546 179.6145 91 T 3.9263 8.1527 109.7369 64.9424 68.4029 176.6424 92 Q 4.0918 7.6774 120.1498 57.8993 28.7649 177.5967 93 I 4.4374 7.2832 110.9850 58.9419 38.1037 171.8212 94 G 3.6335 7.4223 118.1528 45.3085 0.0000 173.6000 *96 T 4.1190 8.1154 114.4985 61.2008 69.9148 173.0457 97 L 4.7297 8.1636 121.4497 53.3907 43.4128 176.1807 98 N 5.0624 8.4691 118.7795 51.6957 42.4956 174.5418 99 F 4.4859 8.2364 116.4404 57.4058 37.5302 173.8909 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 P 0.00 4.37 0.00 2.20 2.15 0.00 3.66 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 1.88 1.97 0.00 2 Q 8.43 4.40 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 3 I 8.04 4.47 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 1.48 0.80 0.92 0.00 0.00 4 T 8.43 4.33 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 1.32 0.00 0.00 5 L 7.66 4.69 0.00 1.30 1.47 0.79 0.83 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 6 W 8.21 4.38 0.00 3.29 3.23 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 7 K 7.69 4.77 0.00 1.76 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 8 R 8.49 3.95 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 9 P 0.00 4.68 0.00 2.10 2.20 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 10 L 7.57 4.91 0.00 1.55 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.83 4.62 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 12 T 8.46 4.88 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 13 I 9.07 4.81 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.27 0.91 0.00 0.00 14 R 8.63 5.05 0.00 1.87 1.78 0.00 3.10 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 15 I 9.11 4.44 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 0.87 0.00 0.00 16 G 9.48 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 0.00 0.00 0.00 17 G 8.53 3.96 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 0.00 0.00 0.00 18 Q 7.65 4.61 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 19 L 8.28 5.08 0.00 1.54 1.62 0.92 0.86 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 20 K 9.08 4.73 0.00 1.61 1.62 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.32 7.81 21 E 8.68 5.04 0.00 1.96 1.82 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 2.21 2.29 0.00 22 A 8.95 4.83 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 23 L 8.92 4.82 0.00 1.72 1.64 0.95 0.73 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 24 L 8.75 4.44 0.00 1.54 1.61 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.24 4.93 0.00 2.81 2.77 0.00 0.00 6.55 7.87 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 26 T 8.73 4.07 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 1.20 0.00 0.00 27 G 8.26 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 28 A 7.57 4.67 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 29 D 8.97 4.43 0.00 2.62 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 30 D 8.03 5.50 0.00 2.56 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 31 T 7.98 4.92 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 1.24 0.00 0.00 32 V 8.60 4.92 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 1.05 0.00 0.00 0.93 0.00 0.00 33 I 8.77 5.09 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.91 0.00 0.00 34 E 9.24 4.79 0.00 1.90 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 2.36 2.13 0.00 35 E 8.70 3.78 0.00 1.82 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 2.28 2.37 0.00 *37 N 8.60 4.42 0.00 2.69 2.79 0.00 0.00 6.79 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 7.90 4.64 0.00 0.29 0.89 0.44 0.93 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 39 P 0.00 4.70 0.00 2.08 2.01 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 40 G 8.29 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 *42 W 8.36 4.55 0.00 2.88 1.74 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 43 K 8.53 4.63 0.00 1.74 1.70 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.36 7.81 44 P 0.00 5.00 0.00 2.02 2.18 0.00 3.62 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 45 K 8.84 4.36 0.00 1.84 1.55 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 *47 I 8.43 4.26 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.95 0.00 0.00 48 G 8.21 3.48 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 0.00 49 G 8.18 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 50 I 8.53 3.63 1.83 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 1.32 0.70 0.87 0.00 0.00 51 G 9.38 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 52 G 6.07 3.70 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 0.00 0.00 0.00 53 F 8.50 5.09 0.00 3.02 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 54 I 8.50 4.76 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.91 0.00 0.00 55 K 8.55 4.70 0.00 1.68 1.81 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.51 7.81 56 V 9.08 4.66 2.14 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 0.84 0.00 0.00 0.98 0.00 0.00 57 R 8.82 4.76 0.00 1.45 1.06 0.00 2.58 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 58 Q 9.47 4.69 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 59 Y 9.11 5.00 0.00 3.13 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 60 D 8.95 5.04 0.00 2.60 2.62 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 61 Q 8.33 3.36 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 62 I 7.92 4.36 2.00 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 1.33 1.00 0.89 0.00 0.00 63 P 0.00 4.87 0.00 1.93 1.99 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 9.02 4.59 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 0.99 0.00 0.00 0.99 0.00 0.00 65 E 9.11 4.94 0.00 2.08 1.78 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 2.22 2.26 0.00 66 I 8.93 4.59 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 1.23 0.69 0.91 0.00 0.00 *68 G 8.15 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 69 H 8.27 4.78 0.00 3.42 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.51 4.85 0.00 1.64 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 71 A 9.07 4.93 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 72 I 9.15 4.81 1.88 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 1.17 0.70 0.95 0.00 0.00 73 G 8.64 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 74 T 8.67 4.86 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 1.33 0.00 0.00 75 V 9.07 4.48 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 1.07 0.00 0.00 0.94 0.00 0.00 76 L 9.17 5.15 0.00 1.69 1.58 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.44 4.73 2.14 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 0.88 0.00 0.00 0.89 0.00 0.00 78 G 8.20 4.04 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 0.00 0.00 0.00 79 P 0.00 5.07 0.00 2.18 2.11 0.00 3.86 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 80 T 7.39 4.11 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 1.29 0.00 0.00 81 P 0.00 4.40 0.00 2.20 2.15 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 82 V 7.33 4.40 2.06 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 0.79 0.00 0.00 0.92 0.00 0.00 83 N 8.79 4.82 0.00 2.81 2.72 0.00 0.00 6.64 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 84 I 8.96 4.96 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.96 0.00 0.00 85 I 9.06 4.38 1.86 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 1.15 1.02 0.91 0.00 0.00 86 G 8.37 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 87 R 9.04 4.12 0.00 1.84 2.00 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 88 N 7.93 4.33 0.00 2.86 3.08 0.00 0.00 6.92 7.90 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 89 L 7.77 4.42 0.00 1.71 1.74 0.93 0.68 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 90 L 8.00 4.01 0.00 1.69 1.72 1.00 0.41 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 91 T 8.15 3.93 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 1.29 0.00 0.00 92 Q 7.68 4.09 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 93 I 7.28 4.44 1.83 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 1.71 0.54 0.93 0.00 0.00 94 G 7.42 3.63 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 0.00 *96 T 8.12 4.12 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 97 L 8.16 4.73 0.00 1.71 1.74 0.95 0.94 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 98 N 8.47 5.06 0.00 2.67 2.66 0.00 0.00 6.78 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 99 F 8.24 4.49 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.