NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6359 8.4249 119.2044 52.8338 40.6891 173.7392 3 K 4.5578 7.7642 113.9969 52.7067 35.2596 172.1889 4 E 4.6154 8.3283 114.3882 55.8726 31.7472 175.3315 5 T 4.3860 7.6252 109.6390 60.4013 70.6477 173.7176 6 Q 4.2860 8.2327 123.3652 54.4451 29.9351 173.7425 7 P 4.4980 0.0000 0.0000 62.7955 32.2447 175.4201 8 I 4.5782 7.7983 119.2988 58.5748 41.1732 174.6743 9 D 4.7479 8.3669 126.0355 52.2316 42.0930 177.5625 10 R 3.8309 8.3592 119.6847 59.5573 30.0889 177.9733 11 E 3.8997 8.1513 118.4251 59.8604 29.6964 178.8505 12 T 3.8922 8.0749 115.5234 66.3610 68.3787 176.4993 13 L 3.9484 8.2139 122.5692 58.2295 42.0726 179.0358 14 L 3.9728 8.3098 119.3027 57.6463 41.5244 179.6111 15 K 3.9304 8.1172 118.3928 59.5986 32.0596 179.1891 16 E 3.9565 8.2954 118.4592 59.3298 29.3965 179.3148 17 A 3.9799 8.2767 121.0384 55.3512 18.4507 179.5133 18 N 4.3489 8.5118 115.2576 56.2574 38.5197 177.8701 19 K 3.9998 8.1768 120.1434 59.3983 32.0153 179.3726 20 I 3.7395 7.7467 120.0947 64.3686 36.9137 178.5547 21 I 3.6599 7.7271 120.5473 64.4917 36.9336 178.6696 22 R 3.9252 8.1245 118.8933 59.2834 29.8912 178.9639 23 E 3.9514 8.3597 118.3287 59.8300 29.4683 179.1789 24 H 4.1182 8.5937 116.4592 58.6516 28.5106 177.3598 25 E 3.9120 8.2923 120.5565 59.3620 29.4296 178.1043 26 D 4.4359 8.2123 117.9208 57.8283 41.2861 178.4040 27 T 3.8066 7.9345 116.1374 66.5094 68.3950 176.6422 28 L 4.0685 8.1727 120.7537 57.5769 41.3272 179.1255 29 A 3.9646 7.5088 120.1413 54.9653 18.3039 178.3597 30 G 4.0403 8.2684 102.1512 45.6458 0.0000 173.4617 31 I 4.4175 7.5518 121.3960 59.8621 38.4537 175.0366 32 E 4.5901 8.4119 124.0450 54.5901 32.5544 174.0875 33 A 4.2001 8.6348 129.6279 52.0654 19.0539 176.8344 34 T 4.5522 8.7770 112.5657 61.4207 70.9788 174.0978 35 G 4.3010 8.0086 108.7430 43.8392 0.0000 171.8747 36 V 4.8449 8.0252 119.8354 60.1835 34.5596 173.6495 37 T 4.6689 8.6639 112.8090 59.9898 73.0471 171.9336 38 Q 4.9769 8.6658 124.5313 54.9230 31.4657 175.3187 39 R 4.4945 8.9143 124.9218 55.3228 32.4340 171.7903 40 N 4.3696 10.0112 122.5687 53.3940 36.1796 175.6172 41 G 3.9375 8.4157 104.5492 45.1647 0.0000 173.5377 42 V 4.4040 7.4734 120.5757 60.7767 33.5935 175.0112 43 L 4.4841 8.5597 128.4387 54.7785 42.5360 176.7231 44 V 4.3494 8.7799 122.9681 61.2186 34.0540 174.3695 45 F 4.8766 8.8892 126.8244 56.5882 40.0365 175.2325 46 T 4.7102 8.9229 111.3525 59.9863 72.6303 174.0511 47 G 4.1803 7.3027 107.1829 45.7091 0.0000 171.2145 48 D 4.0570 8.2488 121.1244 54.1162 41.0076 176.5724 49 Y 4.0717 8.1050 123.6366 57.3263 38.5292 175.4384 50 F 3.9609 7.9200 118.2086 58.4359 37.0537 175.8195 51 L 4.4027 7.8062 118.5303 54.5132 42.5878 177.5614 52 D 4.7650 8.6942 121.6690 52.6668 40.6274 176.9400 53 E 4.0125 8.6583 117.5574 59.1354 29.4116 177.9972 54 Q 4.2748 8.4628 116.3330 55.5885 28.9379 176.4900 55 G 3.9474 8.3896 106.4280 45.5277 0.0000 173.4848 56 L 4.7155 7.7479 118.9023 51.8551 43.6904 174.3975 57 P 4.6331 0.0000 0.0000 63.0328 32.1283 175.9043 58 T 4.6225 8.6154 111.5917 59.3182 71.6787 175.0080 59 A 4.0151 8.5446 122.1638 55.3551 18.3248 179.5813 60 K 3.8739 7.7431 117.0988 59.7042 32.2168 179.1679 61 S 4.6755 8.0258 116.5987 61.1637 62.5907 176.7431 62 T 4.1109 8.0894 118.6326 66.6316 67.9569 176.3666 63 A 3.8218 7.3437 120.5240 54.9954 18.3589 179.6661 64 V 3.2967 7.4449 115.5092 65.9671 32.0058 177.7739 65 F 4.4182 8.0391 117.5355 60.5198 38.6906 177.4182 66 N 4.4403 8.3288 112.4587 55.0950 38.4892 176.0828 *68 F 5.0014 7.9921 119.5941 57.3025 41.3207 177.2960 69 K 4.1247 8.5956 121.3624 59.7222 31.8727 178.2195 70 H 4.1705 8.5491 118.6062 59.4118 29.7213 177.1130 71 L 3.8560 8.0501 119.9099 57.7031 41.4733 179.2085 72 A 4.3004 8.3009 120.6668 55.4828 18.1460 179.2066 73 H 4.1288 8.3874 115.7688 59.6677 30.1302 177.6651 74 V 3.7363 8.0124 114.4155 64.2881 31.3640 178.6083 75 L 4.0867 8.4752 119.0683 57.6019 41.3420 179.5633 76 S 4.2125 7.9980 114.4850 61.4692 62.7812 176.1359 77 E 4.1036 7.6697 119.9097 58.3009 29.2448 178.4429 78 K 4.0871 7.6656 117.0424 56.5289 33.1434 175.8996 79 Y 5.0657 7.6073 114.6368 56.1697 41.6481 174.2833 80 H 5.1610 8.4121 115.7527 53.5192 31.5297 172.8566 81 L 4.2147 8.9547 124.3675 54.7554 42.6626 177.2290 82 V 4.0433 8.1198 117.9092 61.6226 32.3736 175.3522 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 N 8.42 4.64 0.00 2.70 2.91 0.00 0.00 6.81 5.80 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 3 K 7.76 4.56 0.00 1.82 1.69 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.49 7.81 4 E 8.33 4.62 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 2.15 2.26 0.00 5 T 7.63 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 1.21 0.00 0.00 6 Q 8.23 4.29 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 7 P 0.00 4.50 0.00 2.21 2.03 0.00 3.79 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 1.98 1.95 0.00 8 I 7.80 4.58 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 1.47 0.81 0.91 0.00 0.00 9 D 8.37 4.75 0.00 2.98 2.77 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 10 R 8.36 3.83 0.00 1.89 1.97 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 11 E 8.15 3.90 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 2.38 2.41 0.00 12 T 8.07 3.89 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 L 8.21 3.95 0.00 1.82 1.81 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.31 3.97 0.00 1.83 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.12 3.93 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.48 7.81 16 E 8.30 3.96 0.00 2.17 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 2.33 2.47 0.00 17 A 8.28 3.98 1.36 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 18 N 8.51 4.35 0.00 2.81 2.87 0.00 0.00 7.07 8.22 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 19 K 8.18 4.00 0.00 2.04 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 20 I 7.75 3.74 2.00 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 1.54 0.85 0.89 0.00 0.00 21 I 7.73 3.66 2.01 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 1.49 0.80 0.90 0.00 0.00 22 R 8.12 3.93 0.00 1.82 1.98 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 23 E 8.36 3.95 0.00 2.32 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 2.32 2.35 0.00 24 H 8.59 4.12 0.00 3.32 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.29 3.91 0.00 2.02 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 0.00 2.32 2.33 0.00 26 D 8.21 4.44 0.00 2.80 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 27 T 7.93 3.81 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 1.14 0.00 0.00 28 L 8.17 4.07 0.00 1.86 1.74 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.51 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 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 31 I 7.55 4.42 2.03 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 1.29 0.94 0.93 0.00 0.00 32 E 8.41 4.59 0.00 1.89 1.77 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 2.19 2.31 0.00 33 A 8.63 4.20 0.97 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 0.00 0.00 34 T 8.78 4.55 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 1.18 0.00 0.00 35 G 8.01 4.30 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 0.00 36 V 8.03 4.84 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.04 0.00 0.00 37 T 8.66 4.67 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 1.15 0.00 0.00 38 Q 8.67 4.98 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 39 R 8.91 4.49 0.00 1.69 1.74 0.00 3.47 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 40 N 10.01 4.37 0.00 2.82 2.89 0.00 0.00 7.27 7.65 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 41 G 8.42 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.47 4.40 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 1.07 0.00 0.00 1.01 0.00 0.00 43 L 8.56 4.48 0.00 1.61 1.21 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.78 4.35 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 1.06 0.00 0.00 0.93 0.00 0.00 45 F 8.89 4.88 0.00 2.59 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 0.00 0.00 0.00 46 T 8.92 4.71 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 1.30 0.00 0.00 47 G 7.30 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 0.00 0.00 0.00 0.00 48 D 8.25 4.06 0.00 2.34 1.96 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 49 Y 8.11 4.07 0.00 2.88 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 50 F 7.92 3.96 0.00 3.20 3.06 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 51 L 7.81 4.40 0.00 1.70 1.68 1.06 1.24 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 52 D 8.69 4.77 0.00 2.93 2.88 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 53 E 8.66 4.01 0.00 2.00 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 0.00 2.34 2.29 0.00 54 Q 8.46 4.27 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 55 G 8.39 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 0.00 0.00 0.00 56 L 7.75 4.72 0.00 1.91 1.59 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.63 0.00 2.09 2.22 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 58 T 8.62 4.62 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 1.32 0.00 0.00 59 A 8.54 4.02 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 60 K 7.74 3.87 0.00 1.88 1.82 0.00 1.36 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.08 1.21 7.81 61 S 8.03 4.68 0.00 4.31 4.12 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 62 T 8.09 4.11 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 1.30 0.00 0.00 63 A 7.34 3.82 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.44 3.30 1.88 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 -0.15 0.00 0.00 0.97 0.00 0.00 65 F 8.04 4.42 0.00 3.29 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 66 N 8.33 4.44 0.00 2.94 3.02 0.00 0.00 7.22 7.95 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 *68 F 7.99 5.00 0.00 3.30 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 69 K 8.60 4.12 0.00 2.12 2.12 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.58 7.81 70 H 8.55 4.17 0.00 3.36 3.38 0.00 5.84 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 71 L 8.05 3.86 0.00 1.58 0.97 0.44 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.30 4.30 1.66 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 0.00 0.00 73 H 8.39 4.13 0.00 3.21 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.01 3.74 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 0.77 0.00 0.00 0.92 0.00 0.00 75 L 8.48 4.09 0.00 2.03 2.04 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.00 4.21 0.00 3.96 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 77 E 7.67 4.10 0.00 2.10 1.95 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 2.28 2.47 0.00 78 K 7.67 4.09 0.00 1.32 0.74 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.55 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.32 7.81 79 Y 7.61 5.07 0.00 3.04 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 80 H 8.41 5.16 0.00 3.23 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.95 4.21 0.00 1.55 1.58 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.12 4.04 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 0.77 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.