NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.6180 8.4444 117.3677 54.5990 29.7922 171.6891 5 D 4.8511 8.1250 118.1233 52.7216 43.7100 172.0226 6 E 4.2697 9.3779 119.4343 56.8643 31.4444 176.2550 7 R 5.1315 8.3361 122.2519 55.0563 34.2740 174.2714 8 T 4.8329 9.0940 117.2383 60.1525 71.7098 172.1115 9 F 5.1028 8.8599 128.3527 57.6013 41.0122 174.2902 10 V 4.6566 8.3634 125.5077 61.1388 34.8650 173.7664 11 M 4.7830 8.8231 126.7176 53.4968 35.4856 174.2186 12 V 4.2392 8.6748 126.9592 62.8871 33.0486 175.8916 13 K 4.5763 8.9685 127.6398 54.6835 33.9359 175.9685 14 P 4.7920 0.0000 0.0000 65.2063 30.9456 178.7409 15 D 4.5538 8.2768 117.7142 56.4669 39.5027 178.5090 16 G 3.7344 8.1057 105.9353 46.3677 0.0000 175.7729 17 V 3.7079 7.6546 120.6639 66.0794 31.4259 178.0851 18 Q 4.0379 7.9886 116.6735 58.7812 28.6636 177.3093 19 R 4.2606 8.0910 114.5520 55.6387 30.1524 176.3949 20 G 3.8131 7.7613 105.6730 47.4657 0.0000 175.1533 21 L 4.5916 7.9673 117.5273 54.0246 42.0015 177.7274 22 I 3.8209 7.6837 122.1736 64.6119 37.0878 178.3891 23 G 3.5859 7.9248 105.9011 47.8235 0.0000 175.3389 24 D 4.4495 8.0012 120.7302 57.1256 40.6869 178.8740 25 I 3.8425 7.9957 120.6629 64.3454 37.2488 178.4236 26 V 3.8193 8.2305 119.5000 66.5743 31.2812 178.1511 27 T 4.1161 8.1624 115.3278 66.6525 68.2151 176.7542 28 R 3.8883 7.7094 119.3376 59.4351 30.0921 179.2041 29 L 3.7312 7.4138 118.6200 57.3617 41.4193 179.4803 30 E 4.2534 8.3244 119.0240 59.7228 29.2994 179.3411 31 T 4.1016 7.9806 108.2143 64.0030 69.1045 176.3446 32 K 4.0359 7.6216 122.0059 58.6659 32.2020 176.8845 33 G 3.9710 7.3381 104.2585 44.9778 0.0000 173.6227 34 L 4.6643 7.7177 119.5506 53.9027 43.2518 176.0745 35 K 4.7126 8.8210 123.2047 54.6833 34.1449 175.2161 36 M 3.4686 8.6184 127.7499 55.6835 32.5538 175.8154 37 V 4.5597 8.3109 121.8981 62.4429 34.6464 174.8134 38 G 4.0228 7.3254 105.9373 45.1984 0.0000 172.5018 39 G 4.3563 8.6361 106.0220 45.1345 0.0000 172.9459 40 K 4.7035 8.7502 128.1616 55.0507 35.6787 174.5854 41 F 5.4011 9.2705 131.1538 58.2417 40.1652 174.2168 42 M 4.5790 8.1963 121.8003 54.5811 34.7184 173.3706 43 R 4.6951 8.3819 119.8944 54.7918 32.3710 175.2380 44 I 4.4376 8.1263 124.8153 59.3638 39.7201 175.8909 45 D 4.8215 8.3793 127.4126 52.4592 42.6089 177.8915 46 E 3.8240 8.4952 118.7237 61.2768 29.5461 178.3702 47 E 4.1226 8.1289 119.1478 59.4828 29.6144 179.2625 48 L 3.7953 8.4119 119.9584 58.0460 42.0915 178.8614 49 A 3.9825 8.0916 120.9297 55.3179 18.0770 179.3996 50 H 4.4586 8.5732 115.3105 59.1157 28.6344 177.5392 51 E 4.0173 7.9619 119.5592 58.5767 29.4892 177.7452 52 H 4.4150 7.7896 117.6542 58.2414 30.8350 176.1888 53 Y 4.9751 7.7736 118.5287 57.0904 38.2480 177.7668 54 A 4.3524 8.3242 124.5406 54.7544 18.8867 180.5065 55 E 4.0480 8.2487 111.4583 59.0582 29.6950 177.2076 56 H 4.8439 8.2123 118.5649 56.1674 28.9709 177.0279 57 E 2.5400 7.8477 120.6541 59.2887 29.5468 182.9727 58 D 4.3921 7.9562 119.0795 56.1680 40.3317 180.2767 59 K 4.2034 7.3652 119.7038 54.0574 32.0686 177.7994 60 P 4.6343 0.0000 0.0000 64.6227 32.0701 176.8522 61 F 4.8040 7.9986 113.8111 56.8143 38.5243 177.2546 62 F 3.7956 7.6876 123.9012 61.8157 39.1529 176.9460 63 D 4.4542 8.2677 118.5093 56.4306 39.4027 178.5143 64 G 4.1531 8.0919 106.7335 46.9298 0.0000 175.3132 65 L 4.0638 7.9174 122.6855 58.1285 41.9885 179.3761 66 V 3.5988 7.7721 118.4551 65.9495 31.4874 178.0103 67 S 4.1297 8.1438 114.0792 61.4164 62.5533 176.4526 68 F 4.3843 8.1553 124.1996 61.1808 39.1675 176.7583 69 I 3.6590 7.4424 109.6015 61.9842 37.6447 176.6519 70 T 4.5371 7.1637 111.1122 61.7071 69.1000 174.9688 71 S 4.3282 7.7734 115.5874 58.6805 63.6555 173.7080 72 G 3.8656 7.1133 109.4160 44.4654 0.0000 170.4799 73 P 4.3914 0.0000 0.0000 62.9806 32.6793 175.4759 74 V 4.8604 8.2520 113.1512 59.4889 36.4112 174.4879 75 F 5.0569 9.0310 122.8448 56.8010 41.4489 173.1821 76 A 4.8214 8.4321 128.6550 50.7529 21.2019 175.5523 77 M 5.1606 8.7933 120.2228 53.8395 37.7001 174.1332 78 V 5.0054 8.0667 119.0875 61.0332 35.0801 174.1649 79 W 5.1732 9.3609 126.9991 54.8235 32.7089 173.8967 80 E 5.6924 9.0700 124.8025 53.0099 32.0478 175.3781 81 G 4.2492 8.2090 112.0174 46.0100 0.0000 171.2301 82 A 4.1503 8.2508 123.7761 53.1223 18.5612 177.0089 83 D 4.7348 9.3118 121.3901 54.5296 40.0479 175.5092 84 A 4.0885 7.8538 121.5293 55.1278 17.8938 180.2428 85 T 3.8662 7.7568 113.1279 66.8588 68.3986 176.9068 86 R 3.6278 7.8914 120.1228 59.1378 30.0754 178.4310 87 Q 3.9504 7.9433 118.1078 58.6606 28.7346 178.3611 88 V 3.4698 7.8194 119.2985 66.3060 31.6143 178.4051 89 R 3.9428 7.7103 116.8558 58.8864 29.5772 179.0978 90 Q 4.0087 7.6070 117.5266 58.7160 29.0522 177.8188 91 L 4.0702 8.0819 120.2287 58.1403 41.6196 179.6597 92 M 4.0343 8.1785 118.7723 56.3886 31.9594 177.7817 93 G 3.9751 7.6914 102.6302 44.1388 0.0000 172.3850 94 A 4.0696 8.2869 120.6994 52.7160 18.6623 178.2002 95 T 3.8949 8.4642 117.1771 66.1588 68.9874 174.4457 96 D 4.5051 7.9318 121.6192 52.6745 41.0207 176.4497 97 A 4.0461 8.4380 130.9848 55.1669 18.5130 179.0181 98 Q 4.1651 7.9227 113.7358 57.8343 28.7434 176.5033 99 D 4.8070 7.9757 115.6052 53.6100 42.5509 176.1904 100 A 4.3193 7.4239 121.1214 51.6574 19.3626 177.0452 101 A 4.4098 8.3880 121.5755 50.2075 20.5294 175.2312 102 P 4.2586 0.0000 0.0000 64.6655 31.5698 174.7658 103 G 4.1302 10.0200 111.8004 46.1855 0.0000 175.2565 104 T 4.2277 7.7700 109.7441 60.8276 70.8917 175.2918 105 I 3.4923 8.2948 124.4176 65.1921 37.2888 179.1427 106 R 4.1207 8.1672 118.4652 58.9950 29.6086 179.5061 107 G 3.5405 7.8696 105.1756 47.8125 0.0000 175.2704 108 D 4.4151 8.0317 120.4811 56.3571 40.9938 177.5492 109 Y 5.0270 8.0032 115.0111 57.1350 39.2944 175.4874 110 G 4.3458 7.5417 107.3552 43.9731 0.0000 173.0584 111 N 4.7512 7.6675 115.7152 51.3957 38.0614 173.0578 112 D 4.3618 7.7093 124.2030 54.4916 44.1425 176.6129 113 L 4.1990 8.5683 123.7022 57.6207 41.7219 178.4229 114 G 3.5153 8.0513 107.2058 48.4386 0.0000 174.0031 115 H 4.0933 8.1982 121.3771 53.5497 27.1405 174.5743 116 N 5.0138 7.9318 123.0831 52.3792 38.3431 176.2488 117 L 4.4096 9.1996 123.8573 55.5656 40.8138 174.2621 118 I 5.1634 7.3467 114.9570 59.5217 41.6030 173.0697 119 H 5.1032 9.5774 126.8194 54.3827 32.8551 172.7026 120 G 4.4289 8.1851 110.3663 44.0616 0.0000 172.3371 121 S 4.8370 8.6632 118.4565 58.0922 64.6299 173.6352 122 D 4.9332 8.8045 123.0975 53.4940 40.9435 176.8037 123 H 4.3974 8.9092 123.2654 58.2845 28.9350 176.0584 124 E 4.1935 7.7543 118.3018 56.4792 29.0879 176.4873 125 D 4.6122 8.0404 119.8344 51.6067 41.9234 173.7223 126 E 4.1139 8.6739 124.1465 57.8588 30.1308 178.2033 127 G 3.9303 9.0838 110.0505 46.1258 0.0000 175.0703 128 A 4.0701 8.2075 123.1618 54.8171 18.2119 179.4376 129 N 4.9233 8.2152 116.5260 55.9798 37.2075 177.1630 130 E 3.9869 8.1832 121.0169 58.6062 29.6288 179.2046 131 R 3.9136 8.1636 118.8496 59.5318 30.0384 178.4984 132 E 4.0187 8.5467 118.5207 59.1252 29.4846 179.2599 133 I 3.8569 8.1642 120.0457 64.5433 37.0071 178.3776 134 A 4.0950 7.9179 120.2094 54.6138 18.2073 179.1361 135 L 3.7946 7.7201 118.4171 58.2905 42.2572 178.7226 136 F 4.2717 7.6508 114.4663 57.2475 39.5693 175.7476 137 F 4.9953 7.7681 115.4746 55.6016 42.5309 173.6030 138 D 5.1321 8.6950 121.5083 52.2786 43.8194 177.5296 139 D 4.3842 8.5942 120.1631 57.5577 40.8707 178.2077 140 D 4.6162 8.0796 115.7487 54.5108 39.7014 176.2770 141 E 4.4489 8.3689 119.3203 56.3421 29.7346 175.6869 142 L 4.7722 7.5938 119.6452 52.4745 43.4543 176.4689 143 V 3.6941 8.3017 124.9989 63.0467 32.2206 175.1012 144 D 5.0714 8.7978 128.1616 52.7501 41.5526 175.6489 145 W 5.2061 8.7569 119.5001 55.0151 31.3880 174.6316 146 D 4.3853 8.5067 118.9097 52.3307 40.2969 176.2865 147 R 3.8044 7.3121 125.0410 55.2578 29.6020 176.7043 148 D 4.5722 8.7510 126.8632 57.1536 40.6833 177.8239 149 A 4.4850 7.9431 118.9821 53.4090 18.6795 179.1387 150 S 4.1370 8.6438 114.7555 61.0573 62.6204 176.3539 151 A 3.9274 7.7853 122.9608 54.2683 18.1086 178.8253 152 W 4.5470 7.9157 115.0213 58.0176 29.6960 178.1946 153 V 3.7181 7.3072 118.1111 63.7995 31.6820 175.5771 154 Y 4.9220 7.4406 115.6700 55.7772 41.2253 176.0603 155 E 3.8643 9.2109 125.2958 60.2110 30.2773 179.4468 156 D 4.3474 8.4023 119.7990 56.3403 40.0242 179.9410 157 L 4.0660 7.3081 116.9119 56.6832 41.1353 178.6886 158 A 4.0279 7.4128 125.5711 52.5876 18.1800 177.0125 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 H 8.44 4.62 0.00 2.95 2.94 0.00 7.14 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 5 D 8.12 4.85 0.00 2.63 2.54 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 0.00 0.00 0.00 0.00 6 E 9.38 4.27 0.00 2.09 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 2.41 2.37 0.00 7 R 8.34 5.13 0.00 1.70 1.79 0.00 3.21 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 1.53 1.63 0.00 8 T 9.09 4.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 9 F 8.86 5.10 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.36 4.66 2.20 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 0.84 0.00 0.00 0.92 0.00 0.00 11 M 8.82 4.78 0.00 1.77 1.04 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 12 V 8.67 4.24 2.28 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 1.01 0.00 0.00 1.10 0.00 0.00 13 K 8.97 4.58 0.00 2.17 1.74 0.00 2.15 0.00 0.00 2.07 0.00 0.00 3.07 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.52 1.54 7.81 14 P 0.00 4.79 0.00 1.65 1.98 0.00 3.01 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 15 D 8.28 4.55 0.00 2.98 3.15 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 16 G 8.11 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 17 V 7.65 3.71 2.26 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 1.22 0.00 0.00 1.11 0.00 0.00 18 Q 7.99 4.04 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 19 R 8.09 4.26 0.00 1.87 1.92 0.00 3.30 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 20 G 7.76 3.81 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 0.00 0.00 0.00 21 L 7.97 4.59 0.00 1.61 1.31 0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.68 3.82 1.74 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.71 0.65 0.00 0.00 23 G 7.92 3.59 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 0.00 0.00 0.00 24 D 8.00 4.45 0.00 2.68 2.82 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 0.00 0.00 0.00 25 I 8.00 3.84 2.14 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 1.52 0.78 0.96 0.00 0.00 26 V 8.23 3.82 2.23 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 1.37 0.00 0.00 1.29 0.00 0.00 27 T 8.16 4.12 4.51 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 1.25 0.00 0.00 28 R 7.71 3.89 0.00 2.02 1.92 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 29 L 7.41 3.73 0.00 0.27 0.25 -0.16 0.57 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 30 E 8.32 4.25 0.00 2.32 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 0.00 2.70 2.91 0.00 31 T 7.98 4.10 4.25 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 1.28 0.00 0.00 32 K 7.62 4.04 0.00 1.82 2.05 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.48 7.81 33 G 7.34 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 0.00 0.00 0.00 0.00 34 L 7.72 4.66 0.00 1.89 2.02 0.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.82 4.71 0.00 1.80 1.81 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.63 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.34 0.78 7.81 36 M 8.62 3.47 0.00 1.79 0.94 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 2.03 2.21 0.00 37 V 8.31 4.56 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 0.81 0.00 0.00 1.09 0.00 0.00 38 G 7.33 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.64 4.36 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 0.00 40 K 8.75 4.70 0.00 1.65 1.47 0.00 1.57 0.00 0.00 0.88 0.00 0.00 2.64 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.37 7.81 41 F 9.27 5.40 0.00 3.15 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 42 M 8.20 4.58 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 43 R 8.38 4.70 0.00 1.74 1.78 0.00 3.12 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 44 I 8.13 4.44 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.82 0.91 0.00 0.00 45 D 8.38 4.82 0.00 2.90 2.75 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 0.00 0.00 0.00 46 E 8.50 3.82 0.00 1.99 2.01 0.00 0.00 0.00 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 1.98 0.00 47 E 8.13 4.12 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 48 L 8.41 3.80 0.00 1.73 1.74 0.41 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.09 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.57 4.46 0.00 3.37 3.46 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.96 4.02 0.00 1.95 1.98 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 2.21 2.26 0.00 52 H 7.79 4.41 0.00 3.12 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.77 4.98 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.35 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.05 0.00 2.07 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 2.19 2.03 0.00 56 H 8.21 4.84 0.00 3.36 3.13 0.00 5.66 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.85 2.54 0.00 2.00 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 2.27 2.15 0.00 58 D 7.96 4.39 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 4.20 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.27 7.81 60 P 0.00 4.63 0.00 2.27 2.26 0.00 4.05 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 61 F 8.00 4.80 0.00 3.29 3.26 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 0.00 62 F 7.69 3.80 0.00 3.13 2.95 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 63 D 8.27 4.45 0.00 3.06 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 64 G 8.09 4.15 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 0.00 65 L 7.92 4.06 0.00 1.94 1.79 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.77 3.60 1.84 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 0.87 0.00 0.00 0.36 0.00 0.00 67 S 8.14 4.13 0.00 4.16 4.16 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 0.00 0.00 0.00 68 F 8.16 4.38 0.00 3.34 3.40 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 69 I 7.44 3.66 1.81 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 1.87 0.94 0.96 0.00 0.00 70 T 7.16 4.54 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 1.23 0.00 0.00 71 S 7.77 4.33 0.00 4.04 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 0.00 72 G 7.11 3.87 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 0.00 0.00 0.00 73 P 0.00 4.39 0.00 1.36 1.81 0.00 3.60 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 2.05 2.02 0.00 74 V 8.25 4.86 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 0.56 0.00 0.00 0.85 0.00 0.00 75 F 9.03 5.06 0.00 3.32 3.03 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 0.00 0.00 0.00 0.00 76 A 8.43 4.82 1.21 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 77 M 8.79 5.16 0.00 1.88 2.17 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 78 V 8.07 5.01 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 0.97 0.00 0.00 0.11 0.00 0.00 79 W 9.36 5.17 0.00 3.29 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 80 E 9.07 5.69 0.00 2.02 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 0.00 2.17 2.17 0.00 81 G 8.21 4.25 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 0.00 0.00 0.00 82 A 8.25 4.15 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 83 D 9.31 4.73 0.00 2.95 2.73 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 84 A 7.85 4.09 1.42 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 85 T 7.76 3.87 4.31 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 1.29 0.00 0.00 86 R 7.89 3.63 0.00 1.80 2.20 0.00 3.17 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 87 Q 7.94 3.95 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 88 V 7.82 3.47 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 1.01 0.00 0.00 0.82 0.00 0.00 89 R 7.71 3.94 0.00 1.87 1.99 0.00 3.47 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 90 Q 7.61 4.01 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 91 L 8.08 4.07 0.00 1.87 1.65 0.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.18 4.03 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 93 G 7.69 3.98 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 0.00 0.00 0.00 94 A 8.29 4.07 1.25 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 0.00 0.00 95 T 8.46 3.89 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 1.23 0.00 0.00 96 D 7.93 4.51 0.00 2.69 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 97 A 8.44 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.92 4.17 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 99 D 7.98 4.81 0.00 2.61 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 0.00 100 A 7.42 4.32 1.25 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 0.00 0.00 101 A 8.39 4.41 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 0.00 102 P 0.00 4.26 0.00 1.91 1.99 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 103 G 10.02 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 0.00 0.00 0.00 104 T 7.77 4.23 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 1.25 0.00 0.00 105 I 8.29 3.49 1.89 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 1.60 0.54 1.13 0.00 0.00 106 R 8.17 4.12 0.00 1.93 1.99 0.00 3.42 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 107 G 7.87 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.03 4.42 0.00 1.97 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 0.00 109 Y 8.00 5.03 0.00 3.04 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 0.00 110 G 7.54 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.67 4.75 0.00 2.79 2.80 0.00 0.00 5.83 8.06 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 0.00 112 D 7.71 4.36 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.57 4.20 0.00 1.71 1.95 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.05 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 0.00 0.00 0.00 115 H 8.20 4.09 0.00 3.06 3.17 0.00 5.79 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 0.00 116 N 7.93 5.01 0.00 2.80 2.99 0.00 0.00 6.45 7.79 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 0.00 117 L 9.20 4.41 0.00 2.03 2.02 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.35 5.16 1.92 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 1.22 1.01 1.02 0.00 0.00 119 H 9.58 5.10 0.00 3.40 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.19 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 0.00 0.00 0.00 0.00 121 S 8.66 4.84 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.80 4.93 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.91 4.40 0.00 3.35 3.34 0.00 5.58 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 0.00 124 E 7.75 4.19 0.00 1.98 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 2.18 1.91 0.00 125 D 8.04 4.61 0.00 2.68 2.54 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 0.00 0.00 0.00 0.00 126 E 8.67 4.11 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 127 G 9.08 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 0.00 0.00 0.00 128 A 8.21 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.22 4.92 0.00 3.26 3.21 0.00 0.00 6.75 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 0.00 130 E 8.18 3.99 0.00 2.19 2.07 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 2.43 2.33 0.00 131 R 8.16 3.91 0.00 1.91 2.10 0.00 3.10 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 132 E 8.55 4.02 0.00 2.34 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 2.48 2.72 0.00 133 I 8.16 3.86 2.09 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 1.60 1.18 0.95 0.00 0.00 134 A 7.92 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.72 3.79 0.00 1.71 1.08 0.62 0.18 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 0.00 136 F 7.65 4.27 0.00 2.87 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 0.00 137 F 7.77 5.00 0.00 3.20 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 0.00 138 D 8.70 5.13 0.00 2.72 2.57 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 0.00 0.00 0.00 0.00 139 D 8.59 4.38 0.00 2.80 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 0.00 140 D 8.08 4.62 0.00 2.80 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 0.00 141 E 8.37 4.45 0.00 2.39 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 2.35 2.34 0.00 142 L 7.59 4.77 0.00 1.50 1.52 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.30 3.69 1.98 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 0.64 0.00 0.00 0.84 0.00 0.00 144 D 8.80 5.07 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 W 8.76 5.21 0.00 3.48 2.91 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 0.00 146 D 8.51 4.39 0.00 2.68 2.62 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 0.00 147 R 7.31 3.80 0.00 0.67 1.32 0.00 2.97 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 148 D 8.75 4.57 0.00 2.80 2.77 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 0.00 0.00 0.00 149 A 7.94 4.48 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 0.00 150 S 8.64 4.14 0.00 3.90 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 0.00 151 A 7.79 3.93 1.06 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 0.00 0.00 152 W 7.92 4.55 0.00 3.29 3.24 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 0.00 153 V 7.31 3.72 1.55 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 0.90 0.00 0.00 154 Y 7.44 4.92 0.00 3.08 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 0.00 155 E 9.21 3.86 0.00 2.14 2.23 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 2.39 2.31 0.00 156 D 8.40 4.35 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.31 4.07 0.00 1.72 1.62 0.92 0.83 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 0.00 158 A 7.41 4.03 1.03 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.