NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 P 4.3611 0.0000 0.0000 61.8066 32.5024 177.9129 *21 E 4.0233 7.8352 116.7114 56.7525 30.1159 177.9457 22 T 4.0638 8.8766 112.4023 63.8524 71.1347 174.2604 23 H 5.3666 7.8393 118.0082 54.1282 31.6197 173.7963 24 I 4.7144 9.0691 119.8327 59.5098 41.9724 173.4753 25 N 5.4650 9.4154 125.9144 52.1701 40.4021 174.2020 26 L 5.3364 9.2102 122.8014 52.8311 46.5089 175.2517 27 K 4.7827 8.8085 122.6520 54.5498 35.2851 174.7222 28 V 4.7647 8.9367 126.7063 61.1614 34.0198 174.2417 29 S 5.2270 8.8261 121.8434 56.4706 65.8885 173.6650 30 D 5.0304 8.6733 123.9352 52.3340 39.4959 177.2425 31 G 4.0989 9.0309 109.6987 45.5749 0.0000 174.8897 32 S 4.4338 8.1254 109.7966 58.6083 66.0379 174.0895 33 S 4.7677 9.5008 117.1140 55.9301 63.5468 172.0822 34 E 5.4485 8.7394 125.0004 54.6366 32.3536 175.0354 35 I 4.5732 8.9545 123.4995 59.5202 40.7891 174.2860 36 F 5.0832 8.7620 125.0840 56.2322 40.4870 175.1661 37 F 5.0687 9.6728 120.8726 55.6598 43.7596 173.9616 38 K 5.0885 8.8378 121.1823 55.0113 34.6217 175.0038 39 I 4.8407 8.5917 120.2863 58.5802 41.9084 174.6843 40 K 4.5214 8.4971 122.8457 55.8810 32.8903 177.8871 41 K 4.0340 9.1554 124.7693 58.9862 32.0984 178.5925 42 T 4.3293 7.7277 106.7553 61.4365 69.1641 174.1994 43 T 4.3495 7.4218 119.7222 61.7921 69.2920 173.1890 44 P 4.4812 0.0000 0.0000 62.8640 32.0150 177.1263 45 L 3.8800 8.6707 120.7162 55.4749 41.5392 179.1848 46 R 3.7292 7.2486 120.0732 59.8037 29.8369 178.2542 47 R 3.8503 7.8098 116.7958 59.0527 30.0812 178.5553 48 L 3.2464 7.5565 119.4462 58.2923 42.0355 178.8488 49 M 3.3809 7.7560 118.6655 58.2188 31.6478 178.7046 50 E 4.0321 8.5013 118.9671 59.1020 29.6034 179.2301 51 A 4.0463 8.3344 121.2679 55.1204 18.3036 179.3433 52 F 4.0897 8.5779 118.9761 61.4928 39.4785 177.1092 53 A 4.2344 8.6330 122.7554 55.7920 18.1960 180.2404 54 K 3.9067 8.3476 122.3641 60.2574 31.5695 181.2409 55 R 4.1687 7.8038 118.1066 58.7059 30.0160 178.2975 56 Q 4.2585 7.4189 115.1614 55.0521 29.0366 176.2072 57 G 3.9135 8.0694 108.3264 46.2619 0.0000 173.7001 58 K 4.5977 8.0322 120.3370 54.5848 34.6981 176.9368 59 E 4.3490 8.3915 117.4216 55.6190 30.6614 178.5894 60 M 4.3236 8.7918 121.9952 58.1176 32.1911 177.8143 61 D 4.7266 8.1167 115.3663 54.1095 40.2589 176.4341 62 S 4.7116 8.0453 114.1943 58.3435 64.7434 173.5279 63 L 5.1780 7.6877 120.9359 52.9931 44.3401 175.9335 64 R 4.5956 9.0733 122.5952 54.4893 32.7557 174.9860 65 F 5.0495 8.9201 122.7843 56.1009 40.8153 174.6722 66 L 5.3185 9.2223 124.4799 53.0196 44.8047 175.4448 67 Y 4.8314 8.7128 123.2022 55.8919 41.2846 174.9468 68 D 3.8297 9.5194 127.9232 55.1619 38.3506 175.4591 69 G 3.9077 8.4613 107.4194 45.2159 0.0000 174.2233 70 I 4.0054 7.5508 121.9409 60.2562 37.8727 174.8717 71 R 4.5575 8.4751 126.3205 55.7723 30.1108 175.9427 72 I 4.1495 8.7160 128.9716 61.4820 38.0068 175.4949 73 Q 4.6269 9.4396 128.0119 53.9205 30.8325 174.8793 74 A 4.0437 8.6623 131.6280 54.8140 18.9129 177.0210 *75 D 4.9629 8.8641 119.4255 53.2002 38.4868 174.7053 76 Q 4.3952 8.2051 116.5446 56.1419 29.5969 175.3410 77 T 4.8659 8.7069 111.8147 59.3995 72.5492 174.0086 78 P 4.0740 0.0000 0.0000 65.5879 31.3515 178.5363 79 E 3.8933 8.2051 118.0912 59.3312 29.3090 178.3515 80 D 4.4087 8.1126 118.2070 57.3004 41.0412 178.1801 81 L 4.4184 7.3952 115.3233 53.6342 42.0250 175.9524 82 D 4.4176 7.8220 117.0350 55.4314 40.0545 173.8529 83 M 4.2946 7.8126 117.6406 54.8747 32.8389 176.4434 84 E 4.7971 9.3400 116.6470 53.3528 33.7294 176.0387 85 D 4.5470 8.5454 117.9435 57.0196 41.4119 176.3958 86 N 4.5712 9.4307 122.4042 53.8650 36.7523 174.1546 87 D 4.7936 7.9417 118.7198 54.6021 42.3167 175.1472 88 I 5.0517 8.3917 120.2087 59.7324 40.1687 175.1162 89 I 4.6955 8.7160 127.1416 59.7502 39.5820 174.4229 90 E 4.7705 9.3110 127.1837 55.0705 31.1548 175.0616 91 A 4.5656 8.6389 126.6939 50.7747 20.6279 175.3834 92 H 4.8479 9.0931 120.0100 54.0639 31.9780 174.4571 93 R 4.3888 8.4569 122.0748 55.9771 30.6628 175.7978 94 E 4.1211 8.6154 126.7422 56.8853 30.3755 176.1039 95 Q 4.7224 8.6009 123.1369 53.9781 31.6168 174.9304 96 I 4.7009 7.7465 113.9556 59.1765 40.9343 174.4841 97 G 3.9861 7.9596 106.7152 45.2571 0.0000 173.9323 98 G 3.7197 8.7373 108.9013 45.3783 0.0000 173.4899 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 *20 P 0.00 4.36 0.00 2.11 2.00 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 *21 E 7.84 4.02 0.00 2.06 1.68 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 2.20 1.93 0.00 22 T 8.88 4.06 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 1.17 0.00 0.00 23 H 7.84 5.37 0.00 3.05 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.07 4.71 1.86 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 1.23 1.48 0.97 0.00 0.00 25 N 9.42 5.46 0.00 3.00 2.83 0.00 0.00 6.72 7.57 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 26 L 9.21 5.34 0.00 1.61 1.52 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.81 4.78 0.00 1.47 1.49 0.00 1.05 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.05 0.50 7.81 28 V 8.94 4.76 2.15 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 0.20 0.00 0.00 0.94 0.00 0.00 29 S 8.83 5.23 0.00 3.81 3.55 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 30 D 8.67 5.03 0.00 2.87 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 31 G 9.03 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 32 S 8.13 4.43 0.00 3.94 3.93 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 0.00 0.00 0.00 33 S 9.50 4.77 0.00 3.80 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 34 E 8.74 5.45 0.00 1.78 1.85 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 2.21 2.34 0.00 35 I 8.95 4.57 2.10 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 1.22 0.81 0.27 0.00 0.00 36 F 8.76 5.08 0.00 2.81 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 37 F 9.67 5.07 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 38 K 8.84 5.09 0.00 1.77 1.70 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.46 7.81 39 I 8.59 4.84 1.87 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 0.78 0.92 0.00 0.00 40 K 8.50 4.52 0.00 1.86 1.71 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 41 K 9.16 4.03 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.50 7.81 42 T 7.73 4.33 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 1.18 0.00 0.00 43 T 7.42 4.35 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 1.17 0.00 0.00 44 P 0.00 4.48 0.00 2.11 1.82 0.00 3.55 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 45 L 8.67 3.88 0.00 1.50 1.45 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.25 3.73 0.00 1.62 1.88 0.00 3.06 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 47 R 7.81 3.85 0.00 1.78 1.93 0.00 3.33 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 48 L 7.56 3.25 0.00 1.26 1.53 0.62 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 49 M 7.76 3.38 0.00 0.86 1.75 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.33 0.00 50 E 8.50 4.03 0.00 1.95 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 0.00 2.33 2.44 0.00 51 A 8.33 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.58 4.09 0.00 3.44 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 4.23 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 54 K 8.35 3.91 0.00 1.76 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 55 R 7.80 4.17 0.00 1.87 1.85 0.00 3.03 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 56 Q 7.42 4.26 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 57 G 8.07 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 58 K 8.03 4.60 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.50 7.81 59 E 8.39 4.35 0.00 1.89 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 2.31 1.90 0.00 60 M 8.79 4.32 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 61 D 8.12 4.73 0.00 2.81 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 62 S 8.05 4.71 0.00 3.94 4.13 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 0.00 0.00 0.00 0.00 63 L 7.69 5.18 0.00 1.37 1.04 1.00 0.79 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 64 R 9.07 4.60 0.00 1.63 1.81 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 65 F 8.92 5.05 0.00 2.98 2.93 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 0.00 0.00 0.00 66 L 9.22 5.32 0.00 1.56 1.55 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.71 4.83 0.00 3.00 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 68 D 9.52 3.83 0.00 2.10 2.41 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 0.00 69 G 8.46 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 70 I 7.55 4.01 2.07 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 1.19 0.68 0.96 0.00 0.00 71 R 8.48 4.56 0.00 1.83 1.89 0.00 3.25 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 72 I 8.72 4.15 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.97 0.86 0.00 0.00 73 Q 9.44 4.63 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 74 A 8.66 4.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.96 0.00 2.76 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 76 Q 8.21 4.40 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 77 T 8.71 4.87 4.37 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 1.21 0.00 0.00 78 P 0.00 4.07 0.00 2.10 2.02 0.00 3.69 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 2.04 2.03 0.00 79 E 8.21 3.89 0.00 2.09 1.94 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 2.29 2.33 0.00 80 D 8.11 4.41 0.00 2.95 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 81 L 7.40 4.42 0.00 1.43 1.72 0.88 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.82 4.42 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 M 7.81 4.29 0.00 1.75 1.76 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.95 0.00 84 E 9.34 4.80 0.00 1.79 1.75 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 2.12 2.07 0.00 85 D 8.55 4.55 0.00 2.63 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 86 N 9.43 4.57 0.00 2.95 3.06 0.00 0.00 7.07 8.16 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 87 D 7.94 4.79 0.00 2.71 2.80 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 88 I 8.39 5.05 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.90 0.00 0.00 89 I 8.72 4.70 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 1.02 0.00 0.00 90 E 9.31 4.77 0.00 1.94 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 2.24 2.27 0.00 91 A 8.64 4.57 0.79 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 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.09 4.85 0.00 2.93 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.46 4.39 0.00 1.81 1.82 0.00 3.25 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 94 E 8.62 4.12 0.00 2.03 1.85 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 2.33 2.31 0.00 95 Q 8.60 4.72 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 96 I 7.75 4.70 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 1.35 0.66 0.91 0.00 0.00 97 G 7.96 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 0.00 0.00 0.00 0.00 98 G 8.74 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.