NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3659 8.2729 122.1667 53.7079 34.9208 177.9647 5 K 3.7832 8.3974 121.9479 59.3159 31.8319 179.4750 6 F 4.4302 8.7364 121.9875 62.0100 39.8452 177.4912 7 V 3.6547 8.1093 120.4638 66.7813 31.5199 180.1454 8 E 4.1419 8.3923 119.2112 61.2192 29.5949 181.2367 9 A 4.2632 8.3527 121.6456 54.3653 18.4063 179.9103 10 R 3.7603 7.7437 120.2169 60.1300 30.1142 179.3344 11 R 3.9902 8.0067 122.4099 62.3113 29.5329 180.8308 12 E 4.1876 8.0907 119.3291 60.5994 29.5542 180.8907 13 L 4.0988 7.7681 120.1553 58.4499 42.0594 178.9608 14 N 4.3984 8.1968 117.3454 56.7216 38.4430 177.5966 *15 E 4.2063 8.4134 122.1673 61.6060 29.9831 183.1546 16 K 4.4112 7.9453 126.9906 59.8398 32.0166 183.3923 17 V 4.1686 7.7787 125.1305 62.8328 30.8038 180.1903 *19 S 4.5696 8.1105 119.5864 59.2412 64.5666 177.9981 20 R 4.3073 8.6726 119.1694 55.4695 30.9113 178.9839 21 G 3.8537 8.3999 102.7560 47.3210 0.0000 172.3369 22 T 4.7208 7.8371 109.6063 59.1049 73.2608 174.4859 23 L 4.0112 8.3666 119.6438 58.1228 41.5073 179.5088 24 N 4.3960 8.1289 115.9058 56.5533 38.5510 177.4107 25 T 4.0364 7.8882 116.8189 66.6413 68.5281 176.8265 26 K 3.9717 8.1051 120.3437 59.6325 32.0902 179.6212 27 R 3.9778 8.4064 118.5843 59.0951 29.8722 178.9631 28 F 3.9419 8.4515 120.4880 61.4113 39.4754 177.2742 29 F 4.1443 8.9008 117.4977 60.6527 38.6813 177.4380 30 N 4.4293 8.5932 116.3219 56.3158 38.3816 177.4960 31 L 3.9191 7.9149 120.4829 57.5702 41.4268 178.8483 32 D 4.1919 7.6710 117.3323 57.3749 41.4735 178.1040 33 S 4.3347 8.1728 113.3168 61.4154 62.4434 175.9202 34 A 4.0592 8.0328 123.4778 55.2153 17.9353 179.4570 35 V 3.7172 7.5283 108.1937 62.8450 31.7463 176.4636 36 Y 4.5722 7.4078 114.9155 57.6016 38.5002 176.2803 37 R 4.2550 7.7086 119.8142 54.8672 30.8084 174.7686 38 P 4.5417 0.0000 0.0000 63.1286 32.7080 176.1112 39 G 3.9489 8.4120 112.7822 44.5049 0.0000 174.7106 40 K 4.0776 8.8589 120.8395 58.7246 32.5763 177.2121 41 L 4.4054 7.7000 119.2470 53.6067 42.8736 176.1987 42 D 4.9793 8.3809 123.2660 52.6048 41.8641 177.9495 43 V 3.6780 8.1921 119.9125 64.7076 31.3306 178.0131 44 K 3.8208 8.1507 119.8718 59.8096 31.8382 178.6424 45 T 3.8800 8.4237 115.7631 66.6446 68.3127 176.9380 46 K 4.0442 8.2296 120.4081 59.5995 32.0249 179.3469 47 E 4.0638 8.7299 119.2609 59.2895 29.2862 179.3819 48 L 4.0198 8.2781 119.4121 57.9468 41.5880 179.3859 49 M 4.1862 8.4385 119.1520 58.3269 31.8083 178.9629 50 G 3.5409 8.6082 106.2852 47.5684 0.0000 175.4750 51 L 3.9642 8.0034 122.7355 57.8833 42.1716 179.1562 52 V 3.5747 7.9781 117.9775 66.0691 31.6033 177.7836 53 A 4.0215 8.1802 120.4690 55.4254 18.2580 179.7884 54 S 4.1500 8.4010 113.8286 61.9052 62.8264 177.2272 55 T 3.9279 8.1021 118.4829 66.7653 68.1273 177.5171 56 V 3.7102 7.7420 112.8794 63.8620 31.6200 177.6764 57 L 4.2810 7.6892 115.7933 53.6162 42.6596 176.4465 58 R 3.3901 7.5902 117.2418 57.4545 27.9009 176.9057 59 C 4.7190 7.9555 118.3557 54.8810 45.1400 173.5776 60 D 4.2890 8.6511 128.4431 57.5649 40.5156 178.4279 61 D 4.3780 8.0658 118.8793 57.4135 40.7983 179.4308 62 C 4.3917 8.1385 116.6857 59.9719 37.8266 175.7520 63 I 3.7012 7.9956 121.6619 64.5764 36.7226 178.4992 64 R 3.4116 7.8694 118.7046 59.2183 29.7305 178.3685 65 Y 4.2198 8.0323 119.0085 61.3815 38.8454 178.1141 66 H 4.1468 8.5145 116.9498 58.3595 28.6729 177.7723 67 L 3.9619 8.3780 121.5942 57.7649 41.4528 179.4598 68 V 3.5525 7.8892 118.0022 66.2968 31.4629 178.2516 69 R 3.9552 7.6119 117.4991 59.4052 29.8167 178.8839 70 C 4.1058 8.4544 116.9090 62.7368 28.1429 176.3692 71 V 3.5103 7.9206 119.8766 66.1790 30.9274 177.9581 72 Q 4.0362 8.1612 116.8663 58.6722 28.5540 177.9384 73 E 4.5056 7.9709 116.9441 55.8361 29.6836 176.9343 74 G 3.8267 7.8874 106.7047 45.3894 0.0000 174.0820 75 A 4.2525 7.7851 122.4095 51.7755 19.0296 179.0694 76 S 4.4829 8.9516 117.2355 57.4908 65.7517 175.4218 77 D 3.8083 8.3070 122.1420 57.3505 40.4552 178.7797 78 E 3.9968 7.8867 119.2168 59.1959 29.7093 178.5265 79 E 3.9422 8.2341 118.6810 59.4697 29.4668 179.3035 80 I 3.6352 7.6292 119.7475 64.5886 37.1102 178.5999 81 F 4.5535 8.2014 118.8923 60.6069 38.2776 177.6066 82 E 4.0132 8.5479 118.2019 59.2757 29.3210 179.3529 83 A 4.0300 8.0909 120.8329 55.2511 18.4556 179.7265 84 L 4.0445 8.3714 117.8616 57.9898 41.6305 179.5122 85 D 4.3720 8.4421 119.1267 57.2869 40.6909 178.8156 86 I 3.6921 7.5595 119.5293 64.4244 37.1077 178.2514 87 A 4.0011 7.9134 121.2775 54.9995 18.1580 179.5092 88 L 3.8666 8.1709 118.9183 58.4061 42.0467 179.4498 89 V 3.6005 7.6514 116.7865 65.8886 31.5351 177.9027 90 V 3.8243 7.8921 117.2719 65.7410 31.5828 177.6833 91 G 3.8676 8.2188 102.9417 44.4548 0.0000 174.0164 92 G 3.9926 8.1399 107.6369 44.6325 0.0000 174.4612 93 S 4.1210 8.4750 112.7242 60.9966 62.4805 176.1893 94 I 3.7155 7.8080 115.6086 63.6094 37.3632 177.6207 95 V 3.8327 8.0471 120.1861 65.1363 31.2154 177.7297 96 I 3.6962 7.7724 120.2715 64.2377 37.0372 176.1820 97 P 4.1929 0.0000 0.0000 66.1069 31.0161 178.3807 98 H 4.2084 8.0240 114.4372 58.5703 28.6196 177.4516 99 L 3.9984 8.0804 122.3301 58.0400 41.9099 179.1460 100 R 3.9134 8.2695 118.3346 59.5223 30.0802 179.2983 101 R 3.9416 7.9729 117.3854 59.0235 29.9474 178.8887 102 A 4.0593 8.3788 121.0299 55.3749 18.3726 179.9297 103 V 3.7649 8.2654 117.0797 65.9429 31.6356 178.4013 104 G 3.6657 8.1570 105.6320 47.9125 0.0000 175.4651 105 F 4.1632 8.4456 123.4172 60.6799 39.3512 176.9388 106 L 3.8075 8.2745 120.2106 58.2140 41.9329 178.7269 107 E 3.9551 8.3548 118.5854 59.4037 29.3715 179.0217 108 E 3.8476 8.0009 119.1166 59.1710 29.5962 178.8634 109 L 3.7709 7.6210 119.0331 57.8853 41.5885 179.7727 110 R 3.8382 8.2569 118.3640 59.0689 30.0460 178.7864 111 E 3.8823 8.2500 119.2487 59.3558 29.5425 178.7150 112 M 3.9951 7.9554 118.7600 58.4073 32.0496 178.1540 113 E 3.8635 8.3004 119.5844 59.3777 29.5229 178.8205 114 K 3.9571 7.9906 118.4318 59.0021 32.3028 177.4793 115 N 4.7853 7.7610 113.5988 52.3590 38.7796 175.6095 116 G 3.7726 7.6988 108.4052 45.9600 0.0000 173.1199 117 E 4.3256 8.2237 121.2207 54.4243 29.8545 176.2734 118 T 3.8924 8.3315 123.8359 63.5741 69.0308 174.5271 119 I 4.0263 8.2194 127.4757 60.6693 36.3991 175.0381 120 S 4.8638 8.2963 118.7684 56.2461 66.2795 174.2872 121 L 4.3990 8.2280 119.0807 55.0667 42.3968 176.7534 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 K 8.27 4.37 0.00 1.70 1.71 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 5 K 8.40 3.78 0.00 1.83 1.88 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.12 7.81 6 F 8.74 4.43 0.00 2.99 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.11 3.65 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 0.76 0.00 0.00 0.93 0.00 0.00 8 E 8.39 4.14 0.00 1.96 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 2.25 2.22 0.00 9 A 8.35 4.26 1.33 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 0.00 0.00 0.00 10 R 7.74 3.76 0.00 1.58 1.87 0.00 3.06 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 11 R 8.01 3.99 0.00 1.85 1.93 0.00 3.31 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 12 E 8.09 4.19 0.00 1.99 1.99 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 2.24 2.19 0.00 13 L 7.77 4.10 0.00 1.89 1.92 0.95 0.61 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 14 N 8.20 4.40 0.00 2.86 2.87 0.00 0.00 7.01 7.28 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 *15 E 8.41 4.21 0.00 2.04 1.87 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 2.26 2.20 0.00 16 K 7.95 4.41 0.00 1.80 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.32 7.81 17 V 7.78 4.17 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 *19 S 8.11 4.57 0.00 3.65 3.84 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 0.00 0.00 0.00 0.00 20 R 8.67 4.31 0.00 1.72 1.78 0.00 3.33 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 21 G 8.40 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.84 4.72 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 1.20 0.00 0.00 23 L 8.37 4.01 0.00 1.72 1.78 0.92 0.63 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 24 N 8.13 4.40 0.00 2.77 2.92 0.00 0.00 7.15 7.05 0.00 0.00 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 T 7.89 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 1.20 0.00 0.00 26 K 8.11 3.97 0.00 2.00 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.59 7.81 27 R 8.41 3.98 0.00 2.06 2.03 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 28 F 8.45 3.94 0.00 3.22 3.41 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 29 F 8.90 4.14 0.00 3.30 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 30 N 8.59 4.43 0.00 2.93 2.89 0.00 0.00 7.00 6.25 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 31 L 7.91 3.92 0.00 1.52 1.45 0.82 0.83 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 32 D 7.67 4.19 0.00 2.38 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 33 S 8.17 4.33 0.00 4.01 4.04 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 34 A 8.03 4.06 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 35 V 7.53 3.72 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.46 0.00 0.00 36 Y 7.41 4.57 0.00 3.08 3.16 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 37 R 7.71 4.25 0.00 1.94 1.89 0.00 3.19 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 38 P 0.00 4.54 0.00 2.18 2.07 0.00 3.74 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 2.00 1.98 0.00 39 G 8.41 3.95 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 0.00 0.00 0.00 40 K 8.86 4.08 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 41 L 7.70 4.41 0.00 1.70 1.58 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.38 4.98 0.00 2.96 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 43 V 8.19 3.68 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 1.06 0.00 0.00 1.02 0.00 0.00 44 K 8.15 3.82 0.00 1.84 2.00 0.00 1.70 0.00 0.00 1.94 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 45 T 8.42 3.88 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 1.22 0.00 0.00 46 K 8.23 4.04 0.00 1.96 2.02 0.00 1.91 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.71 7.81 47 E 8.73 4.06 0.00 1.98 1.99 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 2.57 2.50 0.00 48 L 8.28 4.02 0.00 1.87 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.44 4.19 0.00 2.08 2.32 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 2.80 2.57 0.00 50 G 8.61 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 51 L 8.00 3.96 0.00 1.88 1.91 0.96 0.77 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 52 V 7.98 3.57 2.22 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 0.97 0.00 0.00 1.04 0.00 0.00 53 A 8.18 4.02 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 54 S 8.40 4.15 0.00 4.10 4.04 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 55 T 8.10 3.93 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 1.24 0.00 0.00 56 V 7.74 3.71 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 0.78 0.00 0.00 1.01 0.00 0.00 57 L 7.69 4.28 0.00 1.73 1.70 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.59 3.39 0.00 1.86 1.67 0.00 3.13 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 59 C 7.96 4.72 0.00 2.94 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 60 D 8.65 4.29 0.00 2.73 2.65 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 61 D 8.07 4.38 0.00 2.74 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 62 C 8.14 4.39 0.00 3.16 3.23 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 63 I 8.00 3.70 2.00 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 1.54 0.72 0.91 0.00 0.00 64 R 7.87 3.41 0.00 1.30 0.66 0.00 2.50 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 65 Y 8.03 4.22 0.00 3.36 3.11 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 0.00 0.00 0.00 66 H 8.51 4.15 0.00 3.25 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.38 3.96 0.00 2.01 1.83 1.12 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.89 3.55 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 1.08 0.00 0.00 1.20 0.00 0.00 69 R 7.61 3.96 0.00 1.85 1.82 0.00 3.37 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.26 0.00 70 C 8.45 4.11 0.00 3.03 2.94 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 71 V 7.92 3.51 2.13 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 0.96 0.00 0.00 0.87 0.00 0.00 72 Q 8.16 4.04 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 73 E 7.97 4.51 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 2.45 2.45 0.00 74 G 7.89 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 0.00 0.00 0.00 75 A 7.79 4.25 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 76 S 8.95 4.48 0.00 3.97 3.95 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 77 D 8.31 3.81 0.00 2.50 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 0.00 0.00 0.00 78 E 7.89 4.00 0.00 2.05 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 2.54 2.49 0.00 79 E 8.23 3.94 0.00 2.14 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 80 I 7.63 3.64 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.86 0.00 0.00 81 F 8.20 4.55 0.00 3.03 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 82 E 8.55 4.01 0.00 2.19 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 0.00 2.38 2.58 0.00 83 A 8.09 4.03 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 84 L 8.37 4.04 0.00 1.95 1.81 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.44 4.37 0.00 2.91 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 86 I 7.56 3.69 2.05 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 1.47 0.73 0.92 0.00 0.00 87 A 7.91 4.00 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 88 L 8.17 3.87 0.00 1.85 1.85 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.65 3.60 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 0.86 0.00 0.00 0.99 0.00 0.00 90 V 7.89 3.82 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 0.88 0.00 0.00 1.00 0.00 0.00 91 G 8.22 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 92 G 8.14 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 93 S 8.48 4.12 0.00 4.06 4.14 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 94 I 7.81 3.72 1.89 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 1.60 0.61 0.92 0.00 0.00 95 V 8.05 3.83 2.27 0.00 0.00 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 0.99 0.00 0.00 96 I 7.77 3.70 1.97 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 1.52 0.63 0.90 0.00 0.00 97 P 0.00 4.19 0.00 1.98 2.03 0.00 3.72 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 2.09 2.16 0.00 98 H 8.02 4.21 0.00 3.34 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.08 4.00 0.00 1.79 1.88 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.27 3.91 0.00 2.14 1.96 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 101 R 7.97 3.94 0.00 2.00 1.96 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 102 A 8.38 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.27 3.76 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 1.06 0.00 0.00 1.03 0.00 0.00 104 G 8.16 3.67 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 0.00 0.00 0.00 105 F 8.45 4.16 0.00 3.20 3.23 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 0.00 106 L 8.27 3.81 0.00 1.92 1.88 0.83 0.92 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 0.00 107 E 8.35 3.96 0.00 2.20 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 2.36 2.53 0.00 108 E 8.00 3.85 0.00 1.96 1.86 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 2.12 2.28 0.00 109 L 7.62 3.77 0.00 1.68 1.51 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.26 3.84 0.00 1.87 1.94 0.00 3.24 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 111 E 8.25 3.88 0.00 2.14 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 2.37 0.00 112 M 7.96 4.00 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 113 E 8.30 3.86 0.00 2.11 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 0.00 2.28 2.29 0.00 114 K 7.99 3.96 0.00 1.89 2.01 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 115 N 7.76 4.79 0.00 2.75 2.81 0.00 0.00 7.07 6.94 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 0.00 116 G 7.70 3.77 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 0.00 0.00 0.00 117 E 8.22 4.33 0.00 1.91 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 2.27 2.26 0.00 118 T 8.33 3.89 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 0.00 119 I 8.22 4.03 1.84 0.00 0.00 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 1.43 0.69 0.88 0.00 0.00 120 S 8.30 4.86 0.00 3.93 3.82 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 0.00 121 L 8.23 4.40 0.00 1.92 1.63 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.