NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 V 3.9295 8.0544 120.3949 62.6060 32.6635 175.3082 47 D 4.4162 8.3826 126.2659 53.0682 40.2279 175.0484 48 L 4.2134 9.2200 129.0807 57.5718 42.9860 179.4969 49 Q 4.0765 8.2390 116.7417 58.3335 28.7378 177.2046 50 S 4.4231 7.7022 110.6955 58.8975 63.7332 174.3034 51 L 4.3890 7.5579 122.0877 53.3541 42.4089 175.5893 52 P 4.4842 0.0000 0.0000 62.2838 33.2862 177.6569 53 T 3.9348 8.5239 116.2422 67.4493 68.2923 176.9448 54 R 3.9482 8.0224 118.7323 59.1884 30.1297 178.8748 55 A 4.0228 8.0027 120.2020 55.0890 18.5693 178.7984 56 Y 4.0340 8.4108 118.3848 60.9250 38.9139 178.4386 57 L 3.8710 8.2754 119.8750 57.9966 41.5512 179.2558 58 D 4.3522 8.2199 117.8399 57.4457 40.8141 178.4939 59 Q 4.1972 8.1402 117.5552 57.6897 28.9304 177.7935 60 T 4.1735 7.3512 109.4759 63.5857 69.9709 176.6615 61 V 4.2258 7.5722 113.7496 60.7166 33.6324 178.2239 62 V 3.5190 7.6270 117.8543 65.4478 31.4708 176.0044 63 P 4.1896 0.0000 0.0000 65.6834 31.3074 178.4694 64 I 2.3308 7.1751 116.7367 63.4605 37.5737 177.6978 65 L 3.9667 7.5161 119.2627 57.5328 41.4678 179.0504 66 L 4.0793 7.6907 118.0982 57.8754 41.9186 179.1114 67 Q 4.2676 7.9297 119.3709 58.9095 28.9268 179.4849 68 G 3.0368 8.2646 105.2011 44.6954 0.0000 175.1670 *70 A 4.2085 7.9719 125.0280 51.8512 20.6858 180.2694 71 V 3.5566 7.6618 115.0004 65.8389 31.4048 177.7953 72 L 3.6962 8.0879 120.2391 58.2248 41.6724 178.9074 73 A 3.9122 7.7704 118.6735 54.9631 18.4389 179.0868 74 K 3.9947 7.8557 117.1820 59.5517 32.4171 178.4487 75 E 4.0669 8.3584 117.5068 56.0793 30.8319 176.6329 76 R 3.5936 7.9234 117.5085 56.4507 28.0822 174.1655 77 P 4.3620 0.0000 0.0000 61.4444 32.6950 175.1900 78 P 4.3610 0.0000 0.0000 65.4487 31.3836 176.4995 79 N 4.9921 7.7177 116.9103 49.7214 38.6278 172.7530 80 P 4.3430 0.0000 0.0000 65.7346 31.6432 178.7655 81 I 3.7107 7.7254 119.0744 64.1490 37.1181 177.7956 82 E 3.9341 8.1851 119.6891 59.1667 29.4727 178.3193 83 F 4.0429 8.6834 121.1496 61.3175 39.4008 176.8871 84 L 4.0026 8.4817 119.9276 57.9834 42.0007 178.7178 85 A 3.9626 8.2426 120.9157 55.3221 18.2933 179.5652 86 S 3.9799 8.1582 111.6837 61.5099 62.4201 175.6303 87 Y 3.6343 8.0053 122.6287 60.5494 38.4347 178.0977 88 L 4.0174 8.1883 119.9518 57.8900 41.5220 179.5837 89 L 3.9660 7.5104 117.3008 57.8227 41.6445 179.5324 90 K 4.0657 8.0399 117.4452 58.3208 32.3325 178.1284 91 N 4.7981 7.7743 114.5539 52.6077 39.2179 176.5708 92 K 4.0579 7.9104 121.5370 60.0594 32.2717 178.8568 93 A 4.1163 7.9636 120.6449 55.0373 18.3421 178.9085 94 Q 3.9163 8.0114 117.2359 58.2001 29.1503 176.7271 95 F 4.5828 7.9888 116.1409 56.7582 40.1507 175.2541 96 E 4.1900 8.1226 124.1681 56.5194 29.6353 176.5171 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 46 V 8.05 3.93 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 0.98 0.00 0.00 0.94 0.00 0.00 47 D 8.38 4.42 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.22 4.21 0.00 1.91 2.02 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.24 4.08 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 50 S 7.70 4.42 0.00 3.95 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 51 L 7.56 4.39 0.00 1.92 1.72 1.00 0.87 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 52 P 0.00 4.48 0.00 2.18 1.98 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 53 T 8.52 3.93 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 1.25 0.00 0.00 54 R 8.02 3.95 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 55 A 8.00 4.02 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 56 Y 8.41 4.03 0.00 3.06 3.18 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 57 L 8.28 3.87 0.00 1.91 1.71 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.22 4.35 0.00 2.83 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 59 Q 8.14 4.20 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 60 T 7.35 4.17 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 0.78 0.00 0.00 61 V 7.57 4.23 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 0.72 0.00 0.00 0.87 0.00 0.00 62 V 7.63 3.52 2.21 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 1.05 0.00 0.00 1.02 0.00 0.00 63 P 0.00 4.19 0.00 2.34 2.24 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 64 I 7.18 2.33 1.22 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 1.49 0.67 0.82 0.00 0.00 65 L 7.52 3.97 0.00 1.80 1.66 0.88 0.94 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 66 L 7.69 4.08 0.00 1.74 1.72 0.92 0.76 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 67 Q 7.93 4.27 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 68 G 8.26 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 0.00 0.00 0.00 *70 A 7.97 4.21 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 71 V 7.66 3.56 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 1.25 0.00 0.00 1.00 0.00 0.00 72 L 8.09 3.70 0.00 1.94 1.59 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.77 3.91 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 74 K 7.86 3.99 0.00 1.83 1.95 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 75 E 8.36 4.07 0.00 1.65 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 2.41 2.47 0.00 76 R 7.92 3.59 0.00 1.80 1.86 0.00 3.27 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 77 P 0.00 4.36 0.00 1.94 1.32 0.00 3.49 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.73 0.00 78 P 0.00 4.36 0.00 2.20 2.23 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 79 N 7.72 4.99 0.00 2.79 2.80 0.00 0.00 6.87 8.03 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 80 P 0.00 4.34 0.00 2.27 2.28 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 81 I 7.73 3.71 1.90 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 1.54 0.57 0.93 0.00 0.00 82 E 8.19 3.93 0.00 2.07 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 2.41 2.39 0.00 83 F 8.68 4.04 0.00 3.20 3.21 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 0.00 84 L 8.48 4.00 0.00 1.96 1.85 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.24 3.96 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 86 S 8.16 3.98 0.00 3.84 3.83 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 87 Y 8.01 3.63 0.00 2.79 2.97 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 88 L 8.19 4.02 0.00 1.88 1.69 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.51 3.97 0.00 1.73 1.69 0.90 0.77 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 90 K 8.04 4.07 0.00 1.41 1.67 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.48 7.81 91 N 7.77 4.80 0.00 2.49 2.81 0.00 0.00 6.65 6.22 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 92 K 7.91 4.06 0.00 1.99 2.22 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.46 7.81 93 A 7.96 4.12 1.30 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 94 Q 8.01 3.92 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 1.76 2.18 0.00 95 F 7.99 4.58 0.00 3.08 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 96 E 8.12 4.19 0.00 2.08 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 2.48 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.