NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6312 8.1476 118.3347 55.0710 33.3350 174.0039 2 V 4.1693 8.2865 117.8716 61.7417 32.6235 173.7344 3 K 4.9712 10.0644 122.4119 54.4724 38.2580 176.2107 4 I 5.1346 8.0133 120.4847 60.1190 40.6579 175.2665 5 R 4.8474 9.0814 123.1693 55.6187 33.3948 173.2214 6 L 4.8075 8.5159 119.0708 53.8318 42.8608 176.5370 7 A 4.5715 8.7080 126.8424 49.9782 20.2968 176.2708 8 R 3.9333 8.4843 122.2337 58.0801 31.0044 174.9736 9 F 4.5378 8.3431 119.7500 57.7271 43.1720 173.8798 10 G 4.0641 9.0275 106.8514 45.3327 0.0000 173.8005 11 S 4.2856 8.1689 115.7507 57.7828 63.4108 173.5859 12 K 4.0918 8.3212 122.0943 58.1443 32.2417 176.0200 13 H 4.1979 8.7410 121.4583 56.6599 26.5984 174.8052 14 N 4.9960 7.9100 112.8454 51.2715 39.0699 172.0291 15 P 4.1033 0.0000 0.0000 63.7151 32.7110 176.2936 16 H 4.4788 7.5716 111.9949 54.2555 30.5796 173.8593 17 Y 4.5656 7.1681 116.4466 58.2296 39.5410 177.4834 18 R 4.6736 9.0261 120.6041 54.4373 33.2516 174.4400 19 I 4.1929 8.4353 129.1680 61.9941 38.1203 175.8500 20 V 4.7236 8.9404 126.1734 60.2058 35.7418 174.6220 21 V 5.3272 8.7571 115.0466 59.6949 33.4632 174.5198 22 T 5.1670 8.0166 118.7236 59.9978 72.5772 171.2903 23 D 5.1711 8.4627 119.5971 52.7886 42.7241 178.2667 24 A 4.1160 9.2190 129.8171 55.3786 18.4734 178.3424 25 R 4.4303 8.4691 113.1403 56.2625 30.0586 176.7432 26 R 4.3685 8.0977 119.0779 54.8774 31.5662 176.0224 27 K 4.3168 8.1330 117.6959 55.5397 33.3150 176.2478 28 R 3.5900 7.9140 115.5318 61.5620 30.3881 176.4309 29 D 4.5853 7.7541 120.3127 54.3472 41.4871 177.4526 30 G 3.8119 7.6629 112.2735 45.1785 0.0000 174.5519 31 K 4.0894 8.3906 123.9516 54.9694 31.3412 176.5500 32 Y 4.5369 7.5749 124.2182 56.2308 39.1280 176.2103 33 I 3.9594 8.5110 123.5862 64.3651 37.8795 176.0899 34 E 4.9345 7.7921 118.8923 55.3843 32.6661 174.8315 35 K 4.2804 8.7549 127.2019 54.9308 33.4292 176.6661 36 I 4.5595 8.0818 119.3699 58.7771 36.2294 175.7276 37 G 4.5770 8.6380 110.5718 47.7290 0.0000 170.1312 38 Y 5.2117 6.9891 117.3298 57.5246 41.2184 173.5958 39 Y 5.6962 8.2875 117.6158 58.3412 42.4623 172.9187 40 D 4.9398 8.7050 128.7054 51.5175 41.9705 174.7725 41 P 5.2025 0.0000 0.0000 63.2599 30.8225 177.3217 42 R 4.4298 8.3439 116.9247 55.4921 31.5415 175.9430 43 K 3.8585 8.2701 116.0082 57.2483 29.6636 176.1425 44 T 4.0292 7.7194 108.5523 63.7505 69.3449 174.4806 45 T 4.7012 7.6588 119.1979 60.7023 70.5621 173.5479 46 P 4.5276 0.0000 0.0000 65.0621 31.8891 176.4081 47 D 5.1228 7.5137 118.1551 52.7627 40.4878 175.8124 48 W 4.4967 8.8032 120.7442 59.0235 29.2904 177.1468 49 L 4.5089 6.1204 119.1187 52.6615 43.6623 175.2713 50 K 4.0334 7.5635 121.4482 56.1718 35.1416 173.9925 51 V 4.5630 8.1731 126.8805 61.7296 33.2383 172.3208 52 D 4.2877 8.7485 128.3263 55.2436 41.6851 177.2648 53 V 3.8746 8.4940 119.4046 63.3945 31.8735 178.0900 54 E 3.9752 8.2293 117.4731 59.3574 29.5356 179.1406 55 R 4.0288 8.3008 117.7555 59.0597 30.2229 178.5615 56 A 4.1362 7.6691 119.1642 55.7112 18.6307 179.6543 57 R 3.9451 7.9623 116.0562 59.7759 30.1556 177.9464 58 Y 4.1316 7.8641 120.0360 60.3891 37.8985 178.5302 59 W 4.6371 8.1015 118.8666 59.9850 29.3674 178.4202 60 L 4.4326 8.0064 118.7495 57.4401 41.1851 179.4117 61 S 4.2283 8.4493 114.6782 60.1940 62.6613 175.7592 62 V 4.2541 6.7767 115.5521 60.5774 31.8234 171.8778 63 G 3.7738 9.0883 116.7943 45.7735 0.0000 175.5137 64 A 4.7593 8.4056 127.6348 50.7108 20.0826 175.7626 65 Q 3.8814 7.7426 120.7452 55.2868 29.7387 175.7835 66 P 4.9386 0.0000 0.0000 60.5955 34.0288 174.9469 67 T 3.9805 7.9973 116.4529 64.0038 69.2472 174.7323 68 D 4.2981 8.6194 122.7998 58.2721 41.0300 179.0567 69 T 4.2022 7.8988 108.0750 62.6878 67.1197 174.7980 70 A 4.6260 8.0374 123.6780 52.6575 20.6569 179.1057 71 R 4.0006 8.0160 117.3268 60.0204 30.0649 178.0438 72 R 3.9068 8.2059 117.4519 60.2478 29.6705 178.0536 73 L 3.7674 7.7578 118.0953 57.2559 41.7004 179.4720 74 L 3.9814 7.5955 118.6567 57.6754 41.7903 178.6919 75 R 4.2500 8.9006 118.8912 59.6454 29.9277 180.4305 76 Q 4.4935 8.1795 118.2987 55.1276 29.1644 176.9496 77 A 4.2648 8.9406 118.5284 51.9778 20.9892 177.3661 78 G 3.7580 8.1337 106.2774 47.8858 0.0000 173.2226 79 V 3.9404 7.4990 118.4503 64.3860 33.8984 176.3942 80 F 4.5794 7.7095 115.3884 58.4729 39.6648 176.2468 81 R 4.1201 7.9559 120.0004 56.9570 30.1782 175.4943 82 Q 4.5689 8.1353 115.6846 54.6783 33.4448 177.5599 83 E 3.5162 8.6840 117.8432 57.3165 27.5907 173.9991 *84 A 4.1104 9.2078 129.6844 53.1654 18.9361 177.7337 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 8.15 4.63 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 2 V 8.29 4.17 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 0.74 0.00 0.00 0.83 0.00 0.00 3 K 10.06 4.97 0.00 1.60 1.69 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.24 7.81 4 I 8.01 5.13 1.90 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 1.47 1.06 0.93 0.00 0.00 5 R 9.08 4.85 0.00 1.80 2.02 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 6 L 8.52 4.81 0.00 1.48 1.80 0.97 0.22 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 7 A 8.71 4.57 1.38 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 0.00 0.00 8 R 8.48 3.93 0.00 1.73 1.62 0.00 3.16 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.42 0.00 9 F 8.34 4.54 0.00 3.11 2.85 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 0.00 0.00 0.00 0.00 10 G 9.03 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 0.00 0.00 0.00 11 S 8.17 4.29 0.00 3.89 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 12 K 8.32 4.09 0.00 1.63 1.61 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.93 1.29 7.81 13 H 8.74 4.20 0.00 3.35 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.91 5.00 0.00 2.63 2.85 0.00 0.00 7.00 8.94 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 15 P 0.00 4.10 0.00 1.99 1.78 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 16 H 7.57 4.48 0.00 3.17 3.27 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.17 4.57 0.00 2.86 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 18 R 9.03 4.67 0.00 2.52 2.12 0.00 3.21 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 19 I 8.44 4.19 2.25 0.00 0.00 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 1.53 0.76 0.96 0.00 0.00 20 V 8.94 4.72 2.16 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 0.88 0.00 0.00 0.03 0.00 0.00 21 V 8.76 5.33 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 0.53 0.00 0.00 0.51 0.00 0.00 22 T 8.02 5.17 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 1.32 0.00 0.00 23 D 8.46 5.17 0.00 2.71 2.53 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 0.00 0.00 0.00 0.00 24 A 9.22 4.12 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 25 R 8.47 4.43 0.00 1.88 1.94 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 R 8.10 4.37 0.00 1.84 1.88 0.00 3.25 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 27 K 8.13 4.32 0.00 1.92 1.91 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 28 R 7.91 3.59 0.00 1.78 1.86 0.00 3.28 0.00 0.00 3.24 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 29 D 7.75 4.59 0.00 2.60 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 30 G 7.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.39 4.09 0.00 1.66 1.73 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.31 7.81 32 Y 7.57 4.54 0.00 3.01 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 33 I 8.51 3.96 1.66 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 1.16 0.62 0.83 0.00 0.00 34 E 7.79 4.93 0.00 2.19 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 2.27 2.32 0.00 35 K 8.75 4.28 0.00 1.35 1.59 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.25 7.81 36 I 8.08 4.56 1.90 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 1.23 0.84 1.05 0.00 0.00 37 G 8.64 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 38 Y 6.99 5.21 0.00 3.07 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 39 Y 8.29 5.70 0.00 3.00 2.95 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 40 D 8.71 4.94 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.20 0.00 2.34 2.19 0.00 3.19 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 42 R 8.34 4.43 0.00 1.96 1.97 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 43 K 8.27 3.86 0.00 1.38 1.06 0.00 1.34 0.00 0.00 1.25 0.00 0.00 2.30 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.87 7.81 44 T 7.72 4.03 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 1.26 0.00 0.00 45 T 7.66 4.70 4.38 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 1.40 0.00 0.00 46 P 0.00 4.53 0.00 2.27 2.26 0.00 3.80 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 2.08 2.05 0.00 47 D 7.51 5.12 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 W 8.80 4.50 0.00 4.06 3.42 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 49 L 6.12 4.51 0.00 0.57 0.64 0.60 0.11 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 50 K 7.56 4.03 0.00 1.31 0.74 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.06 0.98 7.81 51 V 8.17 4.56 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 0.64 0.00 0.00 0.83 0.00 0.00 52 D 8.75 4.29 0.00 2.79 2.57 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 53 V 8.49 3.87 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 0.94 0.00 0.00 0.88 0.00 0.00 54 E 8.23 3.98 0.00 2.08 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 2.29 2.33 0.00 55 R 8.30 4.03 0.00 1.90 2.17 0.00 3.28 0.00 0.00 3.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 56 A 7.67 4.14 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 R 7.96 3.95 0.00 2.09 1.97 0.00 3.29 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 58 Y 7.86 4.13 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 59 W 8.10 4.64 0.00 3.54 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 60 L 8.01 4.43 0.00 2.07 1.77 1.04 0.58 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 61 S 8.45 4.23 0.00 3.87 4.08 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 62 V 6.78 4.25 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 0.34 0.00 0.00 0.72 0.00 0.00 63 G 9.09 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 64 A 8.41 4.76 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 65 Q 7.74 3.88 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 66 P 0.00 4.94 0.00 2.21 2.07 0.00 3.84 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 1.98 2.07 0.00 67 T 8.00 3.98 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 1.20 0.00 0.00 68 D 8.62 4.30 0.00 2.70 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 69 T 7.90 4.20 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 1.20 0.00 0.00 70 A 8.04 4.63 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 71 R 8.02 4.00 0.00 2.16 2.00 0.00 3.06 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 72 R 8.21 3.91 0.00 1.92 1.90 0.00 3.26 0.00 0.00 3.36 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 73 L 7.76 3.77 0.00 1.58 1.48 1.13 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.60 3.98 0.00 1.92 1.37 0.87 0.82 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 75 R 8.90 4.25 0.00 2.31 2.23 0.00 3.13 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 76 Q 8.18 4.49 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 77 A 8.94 4.26 1.08 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 78 G 8.13 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 79 V 7.50 3.94 1.71 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 -0.86 0.00 0.00 0.68 0.00 0.00 80 F 7.71 4.58 0.00 3.07 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 81 R 7.96 4.12 0.00 1.78 1.87 0.00 3.20 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 82 Q 8.14 4.57 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.92 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 83 E 8.68 3.52 0.00 2.15 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 2.20 2.23 0.00 *84 A 9.21 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.