NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2867 8.3349 116.7947 58.4939 65.0363 174.0011 5 L 4.0325 8.2746 116.3092 53.7544 37.2037 173.0745 6 K 4.1776 7.7960 115.9387 57.1797 34.7432 177.2923 7 K 4.2310 8.0905 121.1939 56.4476 32.2445 175.5081 8 G 3.8926 9.1591 114.0557 44.4329 0.0000 171.2928 9 V 4.2101 8.0811 115.7476 61.9762 33.0722 175.9348 10 F 3.9812 8.4644 110.4992 57.7778 37.1292 175.5900 11 V 3.3519 7.5368 122.8659 62.2633 31.0690 175.9531 12 D 4.3532 8.5986 123.8275 54.1196 42.1610 177.7282 13 D 4.3948 8.7548 124.4432 57.6422 41.0151 178.4256 14 H 4.1554 8.3077 113.1800 57.7026 28.5097 176.0383 15 L 4.2843 7.3834 122.6497 57.3543 42.4554 177.8383 16 L 3.8683 7.2867 117.4217 57.9418 41.2536 178.9347 17 E 3.8439 8.4494 119.4823 59.3185 29.4115 179.1981 18 K 3.8036 7.6482 119.4729 59.0705 32.5240 179.0094 19 V 4.4149 7.8852 117.2057 63.3268 32.5029 176.5428 20 L 4.5934 7.5643 116.1290 56.1550 45.3509 179.1046 21 E 4.0376 7.7254 116.5062 59.0442 29.5871 178.3246 22 L 4.1072 7.7627 117.9381 57.0820 42.3606 179.0279 23 N 4.0202 8.2467 117.1180 56.1379 39.1278 174.0273 24 A 3.9741 8.0391 123.4972 53.6751 18.1202 177.0762 25 K 3.7358 7.7677 123.3224 63.6472 28.4599 177.6771 26 G 3.8497 7.7023 103.3420 41.0000 0.0000 173.8617 27 E 4.6506 8.3682 126.9285 55.1382 33.5421 176.1984 28 K 4.4750 8.4845 125.7792 57.9621 31.9918 174.1578 29 R 4.5024 8.6444 112.9306 57.8341 35.1902 172.9676 30 L 3.8814 7.9690 120.7618 55.2786 41.3350 175.3071 31 I 4.4794 7.6565 124.3976 58.6013 39.5149 174.2260 32 K 4.3383 8.3741 127.4769 56.1970 33.9687 174.8507 33 T 4.2686 7.0380 114.0544 62.6921 70.7265 173.6736 34 W 5.0514 8.3648 117.5878 57.8001 32.8198 175.5046 35 S 4.9340 9.5696 114.1844 57.7473 62.6585 176.2133 36 R 3.7742 7.8915 121.3022 60.2614 28.9101 178.5551 37 R 4.0626 8.2807 116.3065 58.5173 30.3308 176.7820 38 S 4.4720 8.6857 113.2388 57.4458 64.3418 173.6831 39 T 4.2855 7.6053 117.5914 63.2325 69.2217 175.9053 40 I 4.1142 8.0443 126.3453 58.9770 35.3523 175.4487 41 V 3.4898 7.4789 122.4255 62.0432 32.3813 173.7595 42 P 4.1962 0.0000 0.0000 63.8858 32.1058 174.9785 43 E 4.3327 8.7818 121.4949 56.9238 28.0444 176.3544 44 M 3.8904 7.4548 116.8389 58.0136 32.3096 176.8693 45 V 3.5982 7.0458 111.1130 62.3650 31.9220 174.4412 46 G 3.6753 7.7672 116.6853 44.4841 0.0000 172.9420 47 H 3.7709 6.5812 117.1086 55.5900 29.4070 175.5997 48 T 4.1234 8.1806 115.7190 60.5915 68.7103 174.4416 49 I 3.9477 7.8468 126.8853 60.2985 38.3723 176.3390 50 A 4.9407 7.5546 127.2539 49.2016 17.1021 176.6858 51 V 3.5113 7.5427 122.2440 63.2562 33.3585 175.9935 52 Y 5.1737 7.8557 127.3582 55.8923 40.5163 175.2929 53 N 4.5715 6.9230 115.2219 51.8662 37.0374 176.5270 54 G 4.0974 8.0206 108.8116 46.3992 0.0000 174.8428 55 K 4.2429 6.4797 117.3789 57.4752 34.5286 175.0532 56 Q 4.5480 7.3276 114.4704 55.9488 32.5594 172.8062 57 H 5.0906 8.7023 116.6862 54.6755 29.3158 176.1932 58 V 3.9984 9.0898 119.9444 59.4149 32.2479 173.7779 59 P 4.7535 0.0000 0.0000 63.3392 29.7636 174.5233 60 V 4.2231 8.7659 127.6179 60.9205 33.3505 175.7970 61 Y 4.1854 8.5874 126.5982 57.2209 40.5204 174.2825 62 I 4.3145 6.8342 120.0397 59.5666 40.8161 173.9226 63 T 4.8823 8.3795 123.7477 60.1475 69.6997 173.8178 64 E 4.5326 8.6717 121.5174 56.8531 29.4474 177.0605 65 N 4.7576 7.5982 118.6071 54.2586 39.9496 175.4189 66 M 4.9356 7.4796 116.1914 54.6861 31.2279 177.3526 67 V 4.0047 7.3211 120.4078 66.1025 32.3656 177.5122 68 G 3.7785 7.9691 105.0010 47.0645 0.0000 173.0317 69 H 4.8776 7.7612 117.1409 54.7349 30.6414 175.5167 70 K 5.0004 8.9994 125.4997 56.2581 31.9873 177.7209 71 L 5.0032 8.4346 118.5565 56.3805 44.4314 179.0414 72 G 3.8416 8.1996 107.2227 48.4896 0.0000 174.5193 73 E 3.9934 7.4425 118.2810 56.2668 28.8641 177.7778 74 F 4.7733 7.4368 116.8991 56.0332 40.4899 175.1756 75 A 4.5845 7.7291 117.3624 50.4402 20.2594 174.0180 76 P 4.2544 0.0000 0.0000 62.9746 31.8844 177.9692 77 T 3.9768 8.5195 112.1439 63.6463 69.2840 174.8675 78 R 4.4670 7.6736 119.8199 54.8685 32.0668 175.1610 79 T 4.5001 8.2174 115.2675 63.0279 70.3081 172.8340 80 Y 4.2348 9.2059 128.6557 57.5762 38.8645 169.6933 81 R 3.9242 8.0902 117.9881 55.7591 30.6485 176.9570 *82 G 3.7274 8.4031 106.4116 46.1608 0.0000 172.8057 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 4 S 8.33 4.29 0.00 3.89 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 5 L 8.27 4.03 0.00 1.82 2.27 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.80 4.18 0.00 1.88 1.94 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.37 7.81 7 K 8.09 4.23 0.00 1.70 1.79 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.47 7.81 8 G 9.16 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 0.00 0.00 0.00 9 V 8.08 4.21 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 0.87 0.00 0.00 0.90 0.00 0.00 10 F 8.46 3.98 0.00 3.34 3.30 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 11 V 7.54 3.35 1.79 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 0.57 0.00 0.00 0.82 0.00 0.00 12 D 8.60 4.35 0.00 2.69 2.48 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 13 D 8.75 4.39 0.00 2.79 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 14 H 8.31 4.16 0.00 3.34 3.47 0.00 5.51 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.38 4.28 0.00 1.63 1.60 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.29 3.87 0.00 1.92 1.67 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.45 3.84 0.00 2.01 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 2.32 2.35 0.00 18 K 7.65 3.80 0.00 2.08 1.95 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.35 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.46 7.81 19 V 7.89 4.41 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 0.84 0.00 0.00 0.90 0.00 0.00 20 L 7.56 4.59 0.00 1.66 1.58 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.73 4.04 0.00 1.76 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 2.38 0.00 22 L 7.76 4.11 0.00 1.70 1.60 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.25 4.02 0.00 2.80 2.84 0.00 0.00 7.11 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 24 A 8.04 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 3.74 0.00 1.95 2.00 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.42 7.81 26 G 7.70 3.85 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 0.00 0.00 0.00 27 E 8.37 4.65 0.00 1.83 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 2.23 2.41 0.00 28 K 8.48 4.47 0.00 1.62 1.84 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.43 7.81 29 R 8.64 4.50 0.00 1.82 1.97 0.00 3.10 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 30 L 7.97 3.88 0.00 1.61 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.66 4.48 1.86 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 1.31 1.29 0.90 0.00 0.00 32 K 8.37 4.34 0.00 1.49 0.97 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.33 7.81 33 T 7.04 4.27 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 1.14 0.00 0.00 34 W 8.36 5.05 0.00 3.45 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 S 9.57 4.93 0.00 4.08 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 0.00 36 R 7.89 3.77 0.00 2.17 2.37 0.00 2.91 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 37 R 8.28 4.06 0.00 1.99 2.20 0.00 3.33 0.00 0.00 3.58 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 38 S 8.69 4.47 0.00 3.85 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 39 T 7.61 4.29 3.99 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 1.18 0.00 0.00 40 I 8.04 4.11 2.22 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 1.19 1.51 0.85 0.00 0.00 41 V 7.48 3.49 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 0.96 0.00 0.00 0.85 0.00 0.00 42 P 0.00 4.20 0.00 2.06 1.98 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 2.02 2.07 0.00 43 E 8.78 4.33 0.00 2.13 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 2.22 2.24 0.00 44 M 7.45 3.89 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 45 V 7.05 3.60 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 0.64 0.00 0.00 0.90 0.00 0.00 46 G 7.77 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 0.00 0.00 0.00 47 H 6.58 3.77 0.00 3.03 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.18 4.12 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 1.11 0.00 0.00 49 I 7.85 3.95 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.90 0.00 0.00 50 A 7.55 4.94 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 51 V 7.54 3.51 2.12 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 0.97 0.00 0.00 0.98 0.00 0.00 52 Y 7.86 5.17 0.00 2.48 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 53 N 6.92 4.57 0.00 2.75 2.81 0.00 0.00 5.96 7.20 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 54 G 8.02 4.10 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 0.00 55 K 6.48 4.24 0.00 1.54 1.58 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.30 7.81 56 Q 7.33 4.55 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.59 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 57 H 8.70 5.09 0.00 3.05 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.09 4.00 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 0.73 0.00 0.00 1.03 0.00 0.00 59 P 0.00 4.75 0.00 2.09 2.12 0.00 3.76 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 2.00 1.99 0.00 60 V 8.77 4.22 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 0.83 0.00 0.00 0.83 0.00 0.00 61 Y 8.59 4.19 0.00 2.94 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 62 I 6.83 4.31 1.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.05 0.66 0.00 0.00 63 T 8.38 4.88 4.34 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 1.25 0.00 0.00 64 E 8.67 4.53 0.00 2.12 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 0.00 2.29 2.34 0.00 65 N 7.60 4.76 0.00 2.90 2.95 0.00 0.00 6.74 7.54 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 66 M 7.48 4.94 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 67 V 7.32 4.00 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 1.17 0.00 0.00 0.90 0.00 0.00 68 G 7.97 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 69 H 7.76 4.88 0.00 3.74 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.00 5.00 0.00 1.85 1.95 0.00 1.92 0.00 0.00 1.69 0.00 0.00 3.53 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.74 1.63 7.81 71 L 8.43 5.00 0.00 1.79 1.75 0.95 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.20 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 73 E 7.44 3.99 0.00 1.38 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 2.21 2.20 0.00 74 F 7.44 4.77 0.00 3.19 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 75 A 7.73 4.58 1.22 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 0.00 0.00 0.00 76 P 0.00 4.25 0.00 2.17 2.08 0.00 3.77 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 1.98 1.97 0.00 77 T 8.52 3.98 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 1.20 0.00 0.00 78 R 7.67 4.47 0.00 1.84 1.93 0.00 3.16 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 79 T 8.22 4.50 4.27 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 1.24 0.00 0.00 80 Y 9.21 4.23 0.00 2.83 3.25 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 0.00 81 R 8.09 3.92 0.00 1.81 1.88 0.00 3.51 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 *82 G 8.40 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.