NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 3.9585 8.2993 119.9845 56.5456 33.8373 174.8018 12 F 4.6532 7.7343 115.7004 55.2412 38.6040 173.8619 13 R 4.3889 9.5367 124.3263 56.8558 30.4009 181.3836 14 V 2.6488 6.9986 113.3890 60.7103 34.2480 175.4620 15 R 3.6984 7.8503 119.0372 56.6685 28.1467 177.4796 16 N 4.4012 8.2008 116.2387 56.1063 39.5616 177.4401 17 R 4.0820 7.4667 118.3448 56.4108 30.0711 178.0050 18 I 2.8263 8.3802 115.5027 61.9949 38.1905 174.2107 19 K 4.3752 8.6321 120.9409 56.3378 32.1381 176.0707 20 R 4.5233 7.8776 116.8622 54.5321 30.8943 175.7070 21 T 4.5260 8.4464 119.0500 63.5840 71.0472 174.6186 22 G 3.8275 8.0238 109.6349 46.3220 0.0000 174.3206 23 R 3.3387 8.5757 118.9107 55.7171 29.3400 174.9361 24 L 3.5321 8.1315 116.1088 55.6426 39.1095 173.3211 25 R 4.5966 8.5362 123.4878 53.8860 32.3412 175.8101 26 L 4.5562 7.6560 129.9157 53.7452 40.0655 175.7849 27 S 4.6932 8.3395 116.7896 58.5528 64.0157 174.9351 28 V 4.5136 8.0154 129.2536 63.2212 32.9761 175.2372 29 F 5.6923 8.1972 132.9503 58.7371 41.0181 173.0733 30 R 4.5861 8.0958 129.0467 54.8320 31.7618 175.4169 31 S 4.3743 8.0672 128.5239 58.5102 60.8500 174.4428 32 L 4.8071 8.0994 118.6276 53.5019 42.8344 175.1432 33 K 4.5118 7.4580 121.8716 56.6955 39.2922 175.1494 34 H 5.3796 7.8653 114.7171 52.8364 32.6742 172.5911 35 I 5.0278 8.3956 121.7309 59.5252 40.6137 173.5196 36 Y 5.1631 9.6695 126.5194 56.2320 41.4250 174.5383 37 A 5.1243 8.5493 124.2239 50.5959 23.1985 175.0131 38 Q 4.9080 8.8325 119.7167 55.2414 33.4159 173.2335 39 I 4.7032 8.8036 128.2447 60.6227 38.6276 174.9244 40 I 4.9654 8.9290 128.0729 59.3973 41.2122 173.9968 41 D 5.0757 9.1395 125.5887 52.8913 43.1741 176.1810 42 D 4.8091 8.5442 126.1685 53.9655 42.7922 177.0555 43 E 4.2602 9.2426 118.9081 57.4685 28.6075 175.7609 44 K 4.5124 8.2425 116.9908 54.2356 33.2430 174.0267 45 G 4.1011 7.5389 106.7880 45.6117 0.0000 170.6010 46 V 4.5644 8.3778 124.8747 61.9594 35.5975 171.9015 47 T 4.7054 8.5409 121.3766 62.1694 70.9621 171.9606 48 L 4.6479 8.8350 120.3243 55.8183 43.9938 176.7508 49 V 4.2046 7.5653 118.5993 62.8435 33.4759 174.7937 50 S 4.9314 8.4301 119.1346 57.4147 66.1134 174.3052 51 A 4.6344 8.7546 123.9582 51.1578 20.8880 176.0906 52 S 3.9602 8.2124 116.5212 59.3235 64.4464 173.2465 53 S 4.0198 7.8521 115.3294 59.3691 61.5269 174.8573 54 L 4.3062 7.9796 122.3082 55.3055 42.7949 178.4833 55 A 4.3055 6.9646 118.9027 52.6073 17.6046 176.5997 56 L 4.5701 8.7015 117.2129 55.2683 45.6260 178.7223 57 K 4.4361 8.8361 121.8224 57.1696 32.2678 177.7082 58 L 3.0885 9.7679 110.2007 56.9227 42.8133 174.4419 59 K 4.3431 7.9650 124.5439 56.1997 33.9378 175.6300 60 G 4.0578 8.3813 113.6916 46.6648 0.0000 171.3895 61 N 4.6988 7.9967 119.7679 51.3452 39.0020 174.3085 62 K 3.5905 8.3946 123.4977 60.3177 32.3871 178.5909 63 T 3.8126 8.2154 113.0763 65.5700 69.0830 175.4509 64 E 4.0076 8.3730 121.8737 58.8725 30.0149 179.7196 65 V 3.2881 8.5577 117.9463 65.9050 31.5423 175.1897 66 A 4.4719 8.8874 127.8436 53.9485 16.4949 176.9823 67 R 5.0589 8.0060 126.1368 57.4235 28.2427 177.0496 68 Q 3.5909 7.6192 119.5810 58.7825 28.6090 179.3685 69 V 3.9415 8.1529 120.0816 63.6591 31.7769 178.4704 70 G 3.8124 7.7521 106.0702 47.1481 0.0000 175.6424 71 R 3.9211 8.9876 121.4031 59.1854 29.9882 178.4282 72 A 4.0185 7.5867 119.3081 55.6476 18.2269 179.6525 73 L 3.9541 7.4854 116.7522 57.7398 41.7138 178.9674 74 A 3.7407 8.3981 116.0606 56.4507 17.9613 178.8909 75 E 3.6764 7.2996 114.5862 58.7295 30.1179 180.3273 76 K 4.4033 7.9969 120.4682 60.0342 32.6988 177.9950 77 A 4.0550 9.3570 123.1887 53.6766 18.1985 179.6718 78 L 3.8539 8.8188 116.9753 57.4698 41.8537 179.6273 79 A 4.0708 8.1117 120.9551 54.6666 18.3454 178.8359 80 L 4.4456 8.3784 115.6192 55.7534 41.3020 176.4050 81 G 3.7760 7.9493 103.8941 48.1510 0.0000 174.4102 82 I 4.6707 7.0928 118.0701 59.3577 41.7766 175.0073 83 K 4.4547 8.7967 128.2271 56.3379 38.9990 176.3124 84 Q 4.2151 9.0869 111.7794 56.4782 30.0792 177.6936 85 V 4.4367 8.0984 114.9556 60.9754 36.4293 171.4285 86 A 5.0423 7.9994 121.4280 49.7465 20.8317 179.1778 87 F 5.0423 8.9499 122.9223 57.6680 39.8134 172.1482 88 D 4.3693 7.1148 114.4712 54.4013 45.5457 172.4123 89 R 3.5668 8.8938 123.5378 56.2377 30.8136 176.7673 90 G 3.4504 7.8931 114.7638 47.2254 0.0000 173.5119 91 P 4.0784 0.0000 0.0000 65.1249 31.3502 179.1744 92 Y 3.9743 7.8761 116.4448 59.0720 39.3257 175.8052 93 K 3.0893 7.4631 123.3249 54.8117 29.6108 170.7495 94 Y 4.2072 6.2585 119.9150 57.7763 39.3378 175.0161 95 H 4.0910 8.1592 133.6205 56.1563 33.2690 174.8840 96 G 3.6279 7.8248 102.0542 47.9021 0.0000 173.0623 97 R 3.8955 7.5460 117.4068 56.1401 29.8278 176.0651 98 V 4.3812 7.8198 118.4038 62.2120 34.2653 173.1004 99 K 4.5613 8.2395 121.3606 55.9288 33.4009 176.3747 100 A 4.2192 7.8131 124.7310 52.1832 16.6994 177.0253 101 L 4.5968 7.5543 120.2988 52.6517 45.7843 176.7537 102 A 4.2524 8.2047 125.1162 52.9215 19.9230 178.0266 103 E 3.6783 9.4281 120.9599 57.0852 26.7182 176.9966 104 G 3.8115 9.3849 108.6104 47.2112 0.0000 173.2261 105 A 4.5105 8.0569 126.0291 52.5729 19.1921 178.6315 106 R 4.7775 7.9953 118.9392 57.1910 30.5844 175.8029 107 E 3.5997 8.8313 120.0292 56.9153 30.2652 172.8620 108 G 3.4398 8.3677 105.4950 45.8362 0.0000 173.9069 *109 G 3.7078 7.6988 110.1160 45.7122 0.0000 172.1037 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 11 K 8.30 3.96 0.00 1.70 1.76 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 12 F 7.73 4.65 0.00 3.06 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 13 R 9.54 4.39 0.00 1.84 2.02 0.00 3.34 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 14 V 7.00 2.65 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 0.79 0.00 0.00 0.88 0.00 0.00 15 R 7.85 3.70 0.00 1.89 1.90 0.00 3.43 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 16 N 8.20 4.40 0.00 2.40 2.54 0.00 0.00 7.20 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 17 R 7.47 4.08 0.00 1.87 1.95 0.00 3.00 0.00 0.00 3.17 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 18 I 8.38 2.83 1.83 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 1.28 0.55 0.94 0.00 0.00 19 K 8.63 4.38 0.00 1.67 1.84 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 20 R 7.88 4.52 0.00 1.77 1.81 0.00 3.30 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 21 T 8.45 4.53 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 1.20 0.00 0.00 22 G 8.02 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 23 R 8.58 3.34 0.00 1.93 1.94 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 24 L 8.13 3.53 0.00 1.80 1.69 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.54 4.60 0.00 1.84 1.72 0.00 2.98 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 26 L 7.66 4.56 0.00 1.97 1.75 1.27 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.34 4.69 0.00 3.83 3.75 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 28 V 8.02 4.51 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 1.24 0.00 0.00 1.00 0.00 0.00 29 F 8.20 5.69 0.00 3.02 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 30 R 8.10 4.59 0.00 1.78 1.78 0.00 3.27 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 31 S 8.07 4.37 0.00 3.48 3.57 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 32 L 8.10 4.81 0.00 1.58 1.57 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.46 4.51 0.00 1.49 1.52 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.47 7.81 34 H 7.87 5.38 0.00 3.33 3.03 0.00 5.92 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.40 5.03 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.95 0.00 0.00 36 Y 9.67 5.16 0.00 2.94 2.92 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 0.00 0.00 0.00 37 A 8.55 5.12 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 38 Q 8.83 4.91 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 39 I 8.80 4.70 1.98 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 1.27 0.79 0.93 0.00 0.00 40 I 8.93 4.97 1.86 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 1.11 0.95 0.97 0.00 0.00 41 D 9.14 5.08 0.00 2.73 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 42 D 8.54 4.81 0.00 2.81 2.58 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 43 E 9.24 4.26 0.00 2.13 2.14 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 2.18 2.31 0.00 44 K 8.24 4.51 0.00 1.87 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.37 7.81 45 G 7.54 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 46 V 8.38 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 47 T 8.54 4.71 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 1.41 0.00 0.00 48 L 8.84 4.65 0.00 1.48 1.55 0.98 0.76 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 49 V 7.57 4.20 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 1.10 0.00 0.00 0.95 0.00 0.00 50 S 8.43 4.93 0.00 3.91 3.80 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 51 A 8.75 4.63 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 52 S 8.21 3.96 0.00 3.13 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 53 S 7.85 4.02 0.00 4.19 3.49 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 54 L 7.98 4.31 0.00 0.70 1.26 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 A 6.96 4.31 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 56 L 8.70 4.57 0.00 1.46 1.81 0.92 0.81 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 57 K 8.84 4.44 0.00 1.91 1.44 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.17 1.07 7.81 58 L 9.77 3.09 0.00 1.67 1.90 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.97 4.34 0.00 1.85 2.04 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.43 7.81 60 G 8.38 4.06 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 0.00 61 N 8.00 4.70 0.00 2.75 2.69 0.00 0.00 7.11 6.75 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 62 K 8.39 3.59 0.00 1.81 1.69 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.41 7.81 63 T 8.22 3.81 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 64 E 8.37 4.01 0.00 2.28 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 2.40 2.39 0.00 65 V 8.56 3.29 2.38 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 0.91 0.00 0.00 0.93 0.00 0.00 66 A 8.89 4.47 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 67 R 8.01 5.06 0.00 2.18 1.99 0.00 3.12 0.00 0.00 3.32 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 68 Q 7.62 3.59 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 69 V 8.15 3.94 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 0.93 0.00 0.00 1.05 0.00 0.00 70 G 7.75 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 71 R 8.99 3.92 0.00 1.84 2.01 0.00 3.33 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 1.83 1.81 0.00 72 A 7.59 4.02 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 73 L 7.49 3.95 0.00 1.98 1.78 1.01 0.88 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 74 A 8.40 3.74 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.30 3.68 0.00 2.04 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 2.35 2.40 0.00 76 K 8.00 4.40 0.00 2.03 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.69 7.81 77 A 9.36 4.06 1.41 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 0.00 0.00 78 L 8.82 3.85 0.00 1.82 1.74 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.11 4.07 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 80 L 8.38 4.45 0.00 1.71 1.76 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.95 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.09 4.67 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 1.31 1.55 0.93 0.00 0.00 83 K 8.80 4.45 0.00 1.74 1.44 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.43 7.81 84 Q 9.09 4.22 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 85 V 8.10 4.44 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 0.68 0.00 0.00 1.01 0.00 0.00 86 A 8.00 5.04 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 87 F 8.95 5.04 0.00 3.06 2.85 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 88 D 7.11 4.37 0.00 2.50 2.25 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 89 R 8.89 3.57 0.00 1.62 1.85 0.00 3.43 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 90 G 7.89 3.45 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 0.00 91 P 0.00 4.08 0.00 2.00 1.59 0.00 3.67 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 92 Y 7.88 3.97 0.00 3.15 2.96 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 0.00 0.00 0.00 93 K 7.46 3.09 0.00 1.85 1.75 0.00 1.64 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.35 7.81 94 Y 6.26 4.21 0.00 2.71 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 95 H 8.16 4.09 0.00 3.03 2.77 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.82 3.63 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 0.00 0.00 0.00 97 R 7.55 3.90 0.00 1.98 2.01 0.00 3.21 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 98 V 7.82 4.38 2.14 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 0.71 0.00 0.00 0.70 0.00 0.00 99 K 8.24 4.56 0.00 1.57 1.72 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.51 7.81 100 A 7.81 4.22 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 0.00 101 L 7.55 4.60 0.00 1.56 1.56 0.92 1.10 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 0.00 102 A 8.20 4.25 1.27 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 0.00 0.00 103 E 9.43 3.68 0.00 2.16 1.88 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 2.19 2.24 0.00 104 G 9.38 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 0.00 105 A 8.06 4.51 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 0.00 106 R 8.00 4.78 0.00 1.83 1.98 0.00 3.39 0.00 0.00 4.01 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 107 E 8.83 3.60 0.00 2.10 1.90 0.00 0.00 0.00 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 2.33 0.00 108 G 8.37 3.44 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 0.00 *109 G 7.70 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.