NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2089 8.3349 116.7809 56.8921 64.8507 170.6438 5 L 3.6116 8.0387 126.4691 52.5519 41.1724 172.8462 6 K 4.5484 9.1140 118.4877 57.4270 37.7119 175.7014 7 K 4.3659 8.3780 118.4062 56.8491 34.1777 175.5756 8 G 4.3193 7.8416 105.8204 43.7694 0.0000 172.3468 9 V 4.2454 7.9044 115.0737 61.1618 32.8782 175.6747 10 F 4.1637 8.4047 111.4516 58.0023 36.8359 175.1400 11 V 3.7668 7.0562 119.5829 61.0675 32.1313 175.6648 12 D 4.4474 8.6074 124.4550 54.8540 40.9581 176.1681 13 D 4.9479 8.8358 123.9187 54.9043 40.8399 177.2018 14 H 4.8237 7.9625 115.5152 55.9269 29.2875 175.8359 15 L 4.0304 7.4038 121.6365 56.9125 42.3434 178.2522 16 L 3.9498 7.7431 118.4218 57.9579 41.6058 179.1255 17 E 3.9822 7.9421 118.8855 58.7259 29.3990 177.9360 18 K 4.2171 7.3604 116.7332 57.0109 32.4240 177.3224 19 V 4.2448 7.7632 116.2035 62.9968 32.5334 175.7614 20 L 4.3497 8.2690 116.9992 55.4509 42.3305 176.8980 21 E 4.4531 7.5851 116.0638 56.9309 30.8528 177.2715 22 L 4.2191 7.6807 119.0378 56.2080 41.8631 177.3783 23 N 4.6930 7.3958 115.3591 54.0553 40.0852 175.7104 24 A 4.2082 7.5086 122.7840 52.2317 16.2014 177.2249 25 K 4.0229 8.3474 119.1547 55.2403 30.9444 175.7095 26 G 4.2033 7.7509 106.1389 45.3133 0.0000 174.9601 27 E 4.5153 7.6475 126.0096 56.2137 30.7914 177.6673 28 K 4.6251 8.3298 126.6693 56.5620 31.4085 178.1560 29 R 4.4112 8.2944 118.9936 57.6648 34.2240 174.3828 30 L 3.9441 7.9762 120.0627 55.5553 41.2573 175.1746 31 I 4.5757 7.9988 123.6320 59.1430 41.3275 173.5510 32 K 4.7924 8.6542 128.5337 54.9970 34.4881 175.2678 33 T 4.7876 8.1171 117.5796 60.3161 71.8536 173.0721 34 W 4.9174 8.9621 122.1414 56.8305 30.4580 176.4973 35 S 4.9507 7.5841 109.0251 57.4754 62.1109 174.9700 36 R 4.4507 7.9370 113.8577 57.6085 30.1494 177.9851 37 R 4.2480 7.6788 114.7695 57.8895 30.2302 176.6552 38 S 4.9243 7.8731 113.2309 57.2383 65.7672 173.3735 39 T 4.5284 7.6190 116.4130 62.7195 69.5497 175.0238 40 I 3.9243 8.0724 125.9831 61.2034 37.8069 176.0791 41 V 3.9375 8.2891 126.9510 60.8013 32.4904 173.6243 42 P 4.2916 0.0000 0.0000 64.2055 31.8533 174.9784 43 E 4.1646 8.9116 119.4778 56.9232 29.3654 176.0195 44 M 4.2517 7.6197 115.3715 55.7132 31.5549 176.0112 45 V 3.8425 7.2940 113.6746 64.0988 31.3877 175.4839 46 G 3.9403 8.6513 115.0913 44.1148 0.0000 173.9199 47 H 4.5713 7.2830 117.9293 53.8227 27.2706 173.7678 48 T 3.6568 7.6583 111.0863 62.4755 69.7211 173.6514 49 I 4.7596 8.2052 126.3127 59.2528 39.5766 174.8530 50 A 5.0718 8.6990 129.5188 50.6281 19.9863 176.3009 51 V 4.7038 8.2774 121.7666 61.0938 35.4522 173.3892 52 Y 5.3670 8.2661 126.6251 55.9887 39.0963 174.9073 53 N 4.7571 9.5837 122.6692 52.3768 38.7225 173.8863 54 G 3.4186 6.4148 111.7026 45.1620 0.0000 173.9761 55 K 4.3044 7.2801 119.5887 57.2535 34.2002 174.9094 56 Q 4.3831 6.8203 114.5446 55.6828 31.8062 172.0108 57 H 4.8867 8.6971 117.7226 54.6736 30.5129 175.1514 58 V 3.9422 8.4156 119.3046 59.0590 32.1401 176.7194 59 P 4.5539 0.0000 0.0000 62.0794 30.1685 177.9423 60 V 3.7140 7.4979 117.9080 62.3611 32.2642 175.6215 61 Y 4.1746 8.6123 126.2885 57.9095 40.4546 174.9112 62 I 4.2294 6.6539 121.9839 59.6197 41.1317 173.5571 63 T 4.9633 8.1068 123.4080 59.5642 70.9416 174.1888 64 E 4.0316 8.9244 120.6343 58.7052 29.5850 177.8328 65 N 4.3632 8.3153 116.7687 55.5069 38.7144 174.5248 66 M 4.8908 8.0425 115.0258 53.4731 33.1853 174.4980 67 V 4.2752 8.6096 121.0847 64.3649 34.5140 176.6753 68 G 3.7047 8.0987 106.1543 48.0491 0.0000 173.5596 69 H 4.5868 8.0256 116.9570 55.3435 29.8722 174.9050 70 K 5.0765 8.3004 119.9058 55.2888 32.9245 177.9168 71 L 4.5122 8.6405 118.0856 55.6557 41.0686 178.1236 72 G 4.1017 7.7873 107.8571 45.8910 0.0000 175.2885 73 E 4.0093 8.3137 118.7068 58.5338 29.7459 177.0745 74 F 4.6783 7.9404 116.5302 56.3444 39.5461 176.4045 75 A 4.3614 7.6800 124.5933 50.3971 20.3843 175.1806 76 P 4.3494 0.0000 0.0000 63.8567 31.9599 176.7619 77 T 4.1538 8.5184 112.1586 63.0355 69.6824 175.1018 78 R 4.6853 7.6472 118.6975 54.2997 32.8308 175.2895 79 T 4.3936 8.2116 116.8390 63.8050 70.2479 173.5495 80 Y 3.5990 8.4920 121.4331 58.7275 36.1706 169.6737 81 R 3.8346 7.6877 116.7379 55.9792 31.2708 177.5725 *82 G 3.7274 8.4391 107.7271 46.0091 0.0000 172.8671 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 4.21 0.00 3.86 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 5 L 8.04 3.61 0.00 2.01 1.98 1.10 0.46 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 6 K 9.11 4.55 0.00 1.83 1.87 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 7 K 8.38 4.37 0.00 1.74 1.88 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.46 7.81 8 G 7.84 4.32 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 0.00 9 V 7.90 4.25 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 0.78 0.00 0.00 0.90 0.00 0.00 10 F 8.40 4.16 0.00 3.31 3.14 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 0.00 0.00 0.00 0.00 11 V 7.06 3.77 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 0.60 0.00 0.00 0.87 0.00 0.00 12 D 8.61 4.45 0.00 2.73 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 13 D 8.84 4.95 0.00 2.70 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 14 H 7.96 4.82 0.00 3.31 3.53 0.00 5.25 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.40 4.03 0.00 1.57 1.67 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.74 3.95 0.00 1.70 1.70 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.94 3.98 0.00 2.24 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 2.31 2.32 0.00 18 K 7.36 4.22 0.00 1.81 1.79 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 19 V 7.76 4.24 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 0.97 0.00 0.00 0.94 0.00 0.00 20 L 8.27 4.35 0.00 1.68 1.66 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.59 4.45 0.00 2.23 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 0.00 2.31 2.30 0.00 22 L 7.68 4.22 0.00 1.72 1.58 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.40 4.69 0.00 2.82 2.99 0.00 0.00 7.13 7.84 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 24 A 7.51 4.21 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 25 K 8.35 4.02 0.00 2.08 2.11 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 G 7.75 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 0.00 0.00 0.00 0.00 27 E 7.65 4.52 0.00 1.93 1.80 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 2.31 2.39 0.00 28 K 8.33 4.63 0.00 1.74 1.50 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.29 4.41 0.00 1.91 2.03 0.00 3.10 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 30 L 7.98 3.94 0.00 1.62 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.00 4.58 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 1.19 1.50 0.93 0.00 0.00 32 K 8.65 4.79 0.00 1.46 1.05 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.30 7.81 33 T 8.12 4.79 4.26 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 1.21 0.00 0.00 34 W 8.96 4.92 0.00 3.38 3.07 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 0.00 0.00 0.00 0.00 35 S 7.58 4.95 0.00 4.02 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 36 R 7.94 4.45 0.00 2.08 2.16 0.00 3.42 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 37 R 7.68 4.25 0.00 2.12 2.19 0.00 3.17 0.00 0.00 3.53 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 38 S 7.87 4.92 0.00 3.81 4.09 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 39 T 7.62 4.53 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 1.25 0.00 0.00 40 I 8.07 3.92 2.04 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 1.10 0.74 0.84 0.00 0.00 41 V 8.29 3.94 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 0.98 0.00 0.00 0.86 0.00 0.00 42 P 0.00 4.29 0.00 2.19 2.03 0.00 3.79 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 1.96 1.94 0.00 43 E 8.91 4.16 0.00 2.14 2.24 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 2.21 2.28 0.00 44 M 7.62 4.25 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 45 V 7.29 3.84 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 0.60 0.00 0.00 0.88 0.00 0.00 46 G 8.65 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 47 H 7.28 4.57 0.00 3.21 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.66 3.66 4.21 0.00 0.00 0.00 0.00 0.00 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 49 I 8.21 4.76 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.86 0.00 0.00 50 A 8.70 5.07 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 51 V 8.28 4.70 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 1.12 0.00 0.00 0.93 0.00 0.00 52 Y 8.27 5.37 0.00 2.61 2.78 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 53 N 9.58 4.76 0.00 2.82 2.81 0.00 0.00 6.27 7.00 0.00 0.00 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 6.41 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 0.00 0.00 0.00 55 K 7.28 4.30 0.00 1.58 1.64 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.40 7.81 56 Q 6.82 4.38 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 57 H 8.70 4.89 0.00 3.01 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.42 3.94 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 0.84 0.00 0.00 0.97 0.00 0.00 59 P 0.00 4.55 0.00 2.20 2.13 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 60 V 7.50 3.71 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 0.82 0.00 0.00 0.99 0.00 0.00 61 Y 8.61 4.17 0.00 3.07 2.86 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 62 I 6.65 4.23 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.97 0.69 0.00 0.00 63 T 8.11 4.96 4.43 0.00 0.00 0.00 0.00 0.00 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 64 E 8.92 4.03 0.00 2.11 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 0.00 2.28 2.34 0.00 65 N 8.32 4.36 0.00 2.73 3.00 0.00 0.00 6.70 7.66 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 66 M 8.04 4.89 0.00 1.93 1.87 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 2.11 2.56 0.00 67 V 8.61 4.28 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 0.83 0.00 0.00 0.96 0.00 0.00 68 G 8.10 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 69 H 8.03 4.59 0.00 3.69 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.30 5.08 0.00 1.89 2.07 0.00 2.45 0.00 0.00 2.11 0.00 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.63 1.47 7.81 71 L 8.64 4.51 0.00 1.86 1.75 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.79 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 73 E 8.31 4.01 0.00 1.61 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 74 F 7.94 4.68 0.00 3.01 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 75 A 7.68 4.36 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 4.35 0.00 2.17 2.05 0.00 3.75 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 1.96 1.94 0.00 77 T 8.52 4.15 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 7.65 4.69 0.00 1.79 1.87 0.00 3.19 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 79 T 8.21 4.39 4.29 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 1.25 0.00 0.00 80 Y 8.49 3.60 0.00 3.01 3.10 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 81 R 7.69 3.83 0.00 1.77 1.76 0.00 3.40 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 *82 G 8.44 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.