NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 V 4.0215 8.0129 117.9084 60.7786 34.2885 177.2648 41 I 4.0844 7.5000 120.8254 60.8113 37.8612 177.7367 42 L 4.2461 8.8710 121.3519 61.2857 41.0784 175.8672 43 D 4.5370 8.1171 120.9062 58.5128 39.7622 183.5857 44 Q 4.5622 7.7186 120.6565 59.8003 28.6149 183.0697 45 E 4.6789 7.8782 119.4628 61.4461 31.1010 184.2427 46 K 4.1769 9.0596 128.5322 60.2537 31.4302 181.2502 *47 Y 4.2128 7.9744 122.1015 63.8263 36.4710 182.3025 48 D 4.6365 8.3874 124.9086 59.7470 39.4733 181.2395 49 R 4.3106 8.5714 126.2597 62.0902 29.7949 181.0797 50 I 4.1291 7.8062 121.3741 66.0442 35.1525 182.8239 51 L 4.8156 8.5274 124.7209 57.4434 40.8784 180.3077 52 K 4.8166 7.4798 120.5412 55.8933 32.8962 181.5354 53 E 4.7884 7.9207 115.4001 57.8830 34.1032 182.9388 54 V 3.6772 8.2328 117.0120 64.4216 31.6641 181.2404 55 P 4.4503 0.0000 0.0000 64.7443 30.4964 179.9537 56 T 4.1566 7.6715 112.0222 64.7915 70.3661 182.7451 *57 Y 4.1320 8.4376 121.0234 58.8234 35.7940 180.7804 58 R 4.9194 8.7703 119.5340 56.9378 35.6389 177.4193 *59 Y 4.3513 7.7294 119.4886 59.4641 42.7291 172.6888 60 V 4.7569 8.2170 122.0667 61.7513 34.0082 175.5275 61 S 4.1379 8.5859 116.8552 65.4922 61.8998 173.1306 62 V 3.9649 7.8840 122.5208 66.5638 31.7100 182.7631 63 S 4.6806 7.9718 119.6108 63.7344 62.3596 181.0002 64 V 4.0440 8.4519 124.4791 65.6294 31.3633 180.8154 65 L 4.4176 7.5632 122.2529 61.8717 41.2593 184.7064 66 V 3.9962 8.0929 116.8467 62.9277 32.0027 181.1954 67 D 4.3707 9.6201 114.2772 55.6821 38.0959 168.4383 68 R 3.7625 7.9854 120.2641 57.6946 26.2631 180.1125 69 L 4.2856 8.1148 124.6203 53.8890 41.7552 177.0459 70 K 4.8535 8.2774 127.5020 52.3198 36.3972 174.8185 71 I 4.1552 8.2062 114.8659 60.5246 34.9047 172.5755 72 G 4.2146 9.0017 107.5355 46.3990 0.0000 174.9600 73 G 4.2295 7.2754 112.3424 45.9842 0.0000 175.1702 74 S 4.5874 8.0088 122.7314 56.1299 66.4406 174.4539 75 L 4.0751 8.3952 124.5173 59.0669 40.2356 179.6460 76 A 4.3049 8.9083 125.0911 56.1593 19.2778 180.4694 77 R 4.0267 8.3057 121.1164 62.2581 28.8605 182.2297 78 I 3.7842 7.8155 117.7064 66.2668 35.2939 182.2867 79 A 4.2237 8.3780 123.8167 56.6148 18.0231 179.2997 80 L 3.9301 8.1137 121.5121 61.0895 40.5436 181.9219 81 R 4.2251 7.8770 122.5920 58.8479 29.8084 179.9580 *82 H 4.7307 7.9282 114.8590 56.1627 28.5491 182.1221 83 L 4.2589 9.3971 120.6862 57.5482 40.5195 183.3349 84 E 4.0246 7.7016 114.6135 60.5519 31.0061 185.0000 85 K 4.9400 7.4649 129.6223 54.2032 32.7116 179.8390 86 E 4.6667 7.5997 120.7645 56.3386 35.6897 176.5051 87 G 4.6892 8.9700 117.0108 46.7146 0.0000 171.8641 88 I 3.7726 6.6781 128.7796 59.3244 38.1441 175.8307 89 I 4.8655 7.2126 122.7162 59.8272 39.2836 178.9808 90 K 4.6923 8.6592 122.8017 57.6421 33.0765 170.3786 91 P 5.7389 0.0000 0.0000 64.6401 32.8752 168.7046 92 I 5.6108 7.4622 116.5451 62.7012 38.9556 173.8639 93 S 4.8075 8.8195 124.1854 58.5590 65.5907 177.0538 94 K 4.3010 8.8076 124.5286 57.1326 32.1349 179.1225 *95 H 4.1681 9.9993 120.8373 59.0500 29.1098 179.0890 96 S 4.7490 7.8497 123.8942 58.6815 61.2092 181.6942 97 K 5.1487 8.1636 123.7373 57.0832 33.1887 171.7529 98 Q 4.6598 7.4398 122.0060 53.5117 32.4813 173.4069 99 A 5.4849 8.1260 122.7087 50.3730 18.3886 176.4707 100 I 3.6766 7.7764 119.6126 60.4665 36.1524 178.7735 *101 Y 4.9495 8.2831 130.7037 55.9468 36.6604 173.0818 102 T 4.1463 7.8612 119.3390 61.6762 68.5558 176.2499 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 40 V 8.01 4.02 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 0.71 0.00 0.00 0.93 0.00 0.00 41 I 7.50 4.08 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 1.50 1.01 0.91 0.00 0.00 42 L 8.87 4.25 0.00 1.64 1.75 0.92 0.97 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 43 D 8.12 4.54 0.00 2.68 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 44 Q 7.72 4.56 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 45 E 7.88 4.68 0.00 1.96 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 2.24 1.92 0.00 46 K 9.06 4.18 0.00 1.63 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 *47 Y 7.97 4.21 0.00 2.34 2.32 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 48 D 8.39 4.64 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 4.31 0.00 1.90 1.89 0.00 3.24 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 50 I 7.81 4.13 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 1.38 0.54 0.91 0.00 0.00 51 L 8.53 4.82 0.00 1.73 1.58 0.92 1.04 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 52 K 7.48 4.82 0.00 1.74 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.21 7.81 53 E 7.92 4.79 0.00 1.82 1.89 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 2.21 1.86 0.00 54 V 8.23 3.68 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 0.82 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.45 0.00 2.08 1.99 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 56 T 7.67 4.16 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 *57 Y 8.44 4.13 0.00 2.32 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 0.00 0.00 0.00 58 R 8.77 4.92 0.00 1.76 1.70 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *59 Y 7.73 4.35 0.00 2.18 1.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.76 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 0.69 0.00 0.00 0.93 0.00 0.00 61 S 8.59 4.14 0.00 3.73 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 62 V 7.88 3.96 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 0.94 0.00 0.00 0.93 0.00 0.00 63 S 7.97 4.68 0.00 3.73 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 64 V 8.45 4.04 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 0.90 0.00 0.00 0.93 0.00 0.00 65 L 7.56 4.42 0.00 1.72 1.62 0.92 0.82 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 66 V 8.09 4.00 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 0.63 0.00 0.00 0.93 0.00 0.00 67 D 9.62 4.37 0.00 2.85 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 68 R 7.99 3.76 0.00 2.01 1.92 0.00 3.23 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 69 L 8.11 4.29 0.00 1.66 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.28 4.85 0.00 1.71 1.59 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.96 7.81 71 I 8.21 4.16 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 1.10 0.91 0.00 0.00 72 G 9.00 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 0.00 0.00 0.00 0.00 73 G 7.28 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 0.00 0.00 0.00 0.00 74 S 8.01 4.59 0.00 3.59 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.40 4.08 0.00 1.64 1.46 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.91 4.30 1.32 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 77 R 8.31 4.03 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 78 I 7.82 3.78 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 1.45 0.53 0.91 0.00 0.00 79 A 8.38 4.22 1.38 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 0.00 0.00 0.00 80 L 8.11 3.93 0.00 1.70 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.88 4.23 0.00 1.68 1.87 0.00 3.22 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 *82 H 7.93 4.73 0.00 2.94 2.98 0.00 7.16 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.40 4.26 0.00 1.67 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.70 4.02 0.00 1.98 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 2.23 1.89 0.00 85 K 7.46 4.94 0.00 1.77 1.04 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.00 7.81 86 E 7.60 4.67 0.00 1.93 1.12 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 2.13 1.85 0.00 87 G 8.97 4.69 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 0.00 0.00 0.00 88 I 6.68 3.77 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 1.16 0.53 0.91 0.00 0.00 89 I 7.21 4.87 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 1.27 0.68 0.91 0.00 0.00 90 K 8.66 4.69 0.00 1.77 1.62 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 0.99 7.81 91 P 0.00 5.74 0.00 2.10 2.04 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.26 0.00 92 I 7.46 5.61 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 1.20 1.25 0.91 0.00 0.00 93 S 8.82 4.81 0.00 3.36 3.65 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 0.00 0.00 0.00 0.00 94 K 8.81 4.30 0.00 1.51 1.11 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.98 7.81 *95 H 10.00 4.17 0.00 2.92 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.85 4.75 0.00 3.62 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.16 5.15 0.00 1.79 1.66 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.11 0.76 7.81 98 Q 7.44 4.66 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 99 A 8.13 5.48 1.23 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 0.00 0.00 100 I 7.78 3.68 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 1.27 0.73 0.91 0.00 0.00 *101 Y 8.28 4.95 0.00 2.33 2.19 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 0.00 102 T 7.86 4.15 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 * Residues marked with a * may have inaccurate shift predictions.