NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.3457 8.2649 123.5843 52.2660 19.1779 176.4479 18 R 4.1744 8.5293 121.8638 56.1853 30.9494 174.8968 19 S 4.7106 7.7055 110.4758 56.3300 67.0504 173.5242 20 L 4.4887 8.7574 123.5664 55.0792 42.5256 176.2101 21 S 4.7603 8.6685 119.1931 57.2230 66.5624 172.6483 22 I 4.9377 8.1849 122.1859 59.9403 39.1440 175.4665 23 T 3.9143 9.1307 124.1963 64.3891 68.7673 173.3315 24 T 3.2633 8.7038 126.6728 63.5556 65.1419 169.0983 25 P 4.7331 0.0000 0.0000 62.1234 33.1004 175.3546 26 E 4.8830 7.8662 121.0303 56.3085 30.9860 173.4481 27 E 4.8973 9.0045 127.1062 54.3885 33.8738 173.8869 28 M 5.2047 8.6297 122.3002 53.6575 35.0485 175.3186 29 I 4.8131 8.6567 122.7017 59.8600 42.1091 174.2002 30 E 4.9414 8.6594 124.1005 55.0668 33.5689 174.5283 31 K 4.8095 8.3659 118.9470 54.3125 37.2673 175.5082 32 A 4.5774 9.5873 123.7580 50.9258 20.2305 177.0749 33 K 4.0845 8.1585 121.0021 57.8168 32.4208 177.5314 34 G 3.9474 9.0781 115.0738 45.2142 0.0000 172.9479 35 E 4.4002 7.4497 118.5934 55.7076 30.7713 175.4904 36 T 5.0064 8.4492 115.3025 61.0581 70.8637 173.8680 37 A 4.7799 8.2583 126.5970 50.3234 22.6643 174.7764 38 Y 4.8723 8.4237 120.5444 55.7971 40.4907 174.6235 39 L 4.2768 7.7928 127.9931 52.9563 42.7164 174.4058 40 P 4.6281 0.0000 0.0000 62.1076 33.5510 176.9832 41 C 4.8354 9.2067 122.1495 56.0571 41.3154 171.3438 42 K 5.3205 8.6022 124.5787 54.2019 34.1774 175.1582 43 F 5.6340 8.2596 119.4502 55.1314 41.3655 174.4652 44 T 4.6151 8.5170 109.1587 60.0031 71.2884 174.2369 45 L 4.5738 8.6502 126.7420 54.3541 43.6206 175.5806 46 S 4.6177 8.3119 111.6271 56.4373 65.9219 173.2228 47 P 4.1715 0.0000 0.0000 65.8235 31.1248 177.2403 48 E 4.5180 7.9379 112.7020 56.4070 29.9126 177.3185 49 D 4.7835 7.6302 120.9764 54.5243 38.6024 176.1117 50 Q 4.3400 7.9651 117.3413 55.5776 29.7722 176.3996 51 G 3.9107 7.9944 108.4138 43.7982 0.0000 171.8174 52 P 4.3875 0.0000 0.0000 61.8778 31.9665 176.0359 53 L 4.1366 8.4678 123.4348 55.8119 42.7374 176.0895 54 D 4.8239 9.4027 125.9382 52.7672 43.3142 173.2587 55 I 5.1598 9.1272 126.5112 59.3885 40.1224 174.5456 56 E 5.3585 9.1444 122.5012 54.8649 33.4970 173.8026 57 W 5.1482 9.3066 121.2410 55.0581 32.0892 174.9031 58 L 5.2481 9.0370 123.4233 52.9043 45.1822 175.0771 59 I 4.3441 9.2641 123.1359 59.1963 40.7307 174.4411 60 S 4.9751 8.6759 126.2113 56.0865 64.2750 171.7540 61 P 4.8006 0.0000 0.0000 61.5667 32.1794 176.8836 62 A 4.2737 7.9219 124.8847 51.1301 15.9492 177.8830 *66 K 4.0620 7.6610 119.8400 55.7234 33.9457 176.5269 67 V 4.3978 7.9058 121.0337 60.1661 34.8193 174.5072 68 D 4.2493 8.0868 118.0475 55.3897 38.6740 174.5842 69 Q 4.3851 8.3758 118.2215 54.8317 30.5049 177.6489 70 V 3.9570 8.5149 124.7712 63.4604 31.6511 175.1732 71 I 4.5596 8.7927 120.8099 62.2190 39.6033 175.6657 72 I 5.0615 7.6036 120.4189 59.5004 41.6491 173.4577 73 L 5.5459 9.6436 127.1103 53.2083 45.7529 174.8670 74 Y 5.2901 9.2987 123.6449 56.0936 41.5204 174.3884 75 S 4.2649 8.8204 120.0090 57.4261 67.0075 174.4486 76 G 4.0043 9.1787 108.2303 46.8878 0.0000 173.3237 77 D 4.3265 7.8466 114.2385 53.9004 38.5926 173.9085 78 K 4.5275 7.2832 116.3225 54.6108 36.0561 175.3402 79 I 4.9953 7.9516 121.7637 59.7949 39.0980 174.8306 80 Y 4.8126 8.8998 122.9933 56.4611 40.1591 176.1392 81 D 5.0192 8.6890 122.1014 53.4743 41.0558 175.6148 82 D 4.7949 7.6031 117.3984 54.2956 40.5880 175.1188 83 Y 4.4060 7.7216 119.0885 59.7911 39.9332 176.4717 84 Y 4.3915 7.8919 126.1344 55.5710 38.9106 173.8072 85 P 4.2489 0.0000 0.0000 65.8219 31.6675 178.7345 86 D 4.3898 7.8056 116.4117 57.0108 41.0175 177.0423 87 L 4.4668 8.2697 117.1011 54.0120 41.9657 175.9181 88 K 3.9047 7.6454 121.2997 58.5324 32.0399 176.8838 89 G 4.0092 9.1468 114.4633 45.5426 0.0000 173.2881 90 R 4.4826 8.1812 117.4023 55.6004 31.9160 175.1752 91 V 4.6762 7.5854 118.1955 61.6215 32.9826 174.6068 92 H 4.9812 8.6584 123.3754 54.0857 33.7356 172.6797 93 F 4.6212 8.8658 120.6402 57.7670 38.8801 175.9345 94 T 4.0699 9.0388 115.1646 64.4867 69.0954 175.4757 95 S 4.3310 8.0180 116.5359 57.5092 62.8828 173.3328 96 N 4.5245 8.6993 123.7847 53.9670 37.4554 174.7969 97 D 4.4021 7.7998 118.9268 53.1427 42.3583 173.9870 98 L 4.1754 8.1917 129.6600 56.8188 42.5115 178.9496 99 K 4.1174 7.7847 116.6205 59.1748 32.8924 178.0811 100 S 4.1017 8.0214 113.8876 59.4678 62.6374 174.0849 101 G 2.7332 6.2231 118.5858 45.1322 0.0000 171.5629 102 D 5.1405 7.1046 120.7847 52.4778 40.6103 174.3184 103 A 4.9339 8.8629 123.4601 52.0092 19.3014 177.6536 104 S 4.6173 8.5729 114.7113 59.6813 64.1488 173.4780 105 I 4.8705 7.6128 115.7148 58.8358 41.3082 173.6592 106 N 5.0956 9.0725 119.7951 51.2838 40.1216 173.6394 107 V 5.0201 7.6217 122.9140 61.2811 34.5796 175.4482 *114 D 4.6374 8.8168 115.6244 54.4394 42.9788 176.4335 115 I 3.8395 7.7376 119.1470 61.2877 37.8163 175.8078 116 G 3.9695 8.2016 111.3360 46.4237 0.0000 170.4195 117 T 4.9900 7.8369 116.3479 62.0972 70.8397 173.5461 118 Y 5.1636 9.9142 125.5865 56.3813 40.3352 174.4045 119 Q 4.8323 9.2531 126.4156 54.2822 32.0432 173.1869 120 C 3.9030 8.8962 127.6215 54.5802 46.3924 172.1804 121 K 4.9017 8.4938 126.6671 54.5161 34.4228 175.4302 122 V 4.4417 8.6490 125.2692 60.8188 34.3227 174.1609 123 K 4.8985 8.9125 127.3482 54.6603 35.0785 175.5862 124 K 4.8215 8.9901 125.8077 53.9298 33.1645 174.3297 125 A 4.1481 8.5238 126.2991 51.6014 19.0997 176.3323 126 P 4.3517 0.0000 0.0000 63.6494 32.2127 177.1051 127 G 3.6972 7.7000 109.4753 45.8384 0.0000 172.7247 128 V 4.8944 7.8588 122.0559 61.3192 35.0657 174.1344 129 A 4.7034 8.3809 125.2395 51.0419 22.8534 175.0108 130 N 5.4519 8.6549 117.1457 50.9489 40.9914 173.5544 131 K 4.6867 8.8683 120.9279 54.7624 36.0151 175.0184 132 K 4.9603 8.9703 126.5397 54.9524 34.7528 175.4091 133 I 5.0483 9.0068 123.0829 59.9998 42.0017 173.7825 134 H 5.5583 8.7803 122.0032 54.0131 31.4607 173.1180 135 L 5.5176 9.5174 124.7519 52.2956 44.8421 175.4327 136 V 4.6380 8.2723 124.5707 60.9049 34.1111 174.5115 137 V 4.0911 8.5878 127.8690 63.0859 32.7088 175.7247 138 L 4.4336 8.5536 124.3981 54.8567 41.9545 176.4144 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 17 A 8.26 4.35 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 18 R 8.53 4.17 0.00 1.90 2.00 0.00 3.22 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 19 S 7.71 4.71 0.00 3.82 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 20 L 8.76 4.49 0.00 1.89 1.61 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.67 4.76 0.00 3.90 3.90 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 0.00 0.00 0.00 22 I 8.18 4.94 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.94 0.00 0.00 23 T 9.13 3.91 4.27 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 1.23 0.00 0.00 24 T 8.70 3.26 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 1.23 0.00 0.00 25 P 0.00 4.73 0.00 2.08 2.22 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 26 E 7.87 4.88 0.00 1.94 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 2.23 2.40 0.00 27 E 9.00 4.90 0.00 2.09 1.74 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 2.21 2.28 0.00 28 M 8.63 5.20 0.00 1.93 1.96 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 2.54 2.63 0.00 29 I 8.66 4.81 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.44 0.89 0.00 0.00 30 E 8.66 4.94 0.00 1.80 1.81 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 2.24 2.36 0.00 31 K 8.37 4.81 0.00 1.64 1.80 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 32 A 9.59 4.58 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 33 K 8.16 4.08 0.00 1.93 1.75 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.40 7.81 34 G 9.08 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 35 E 7.45 4.40 0.00 2.07 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 2.31 2.27 0.00 36 T 8.45 5.01 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 1.30 0.00 0.00 37 A 8.26 4.78 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 0.00 0.00 0.00 0.00 0.00 38 Y 8.42 4.87 0.00 2.82 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 39 L 7.79 4.28 0.00 0.76 1.40 0.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.63 0.00 2.06 1.82 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 41 C 9.21 4.84 0.00 3.26 3.42 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 42 K 8.60 5.32 0.00 1.80 1.65 0.00 1.61 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.44 7.81 43 F 8.26 5.63 0.00 3.04 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 44 T 8.52 4.62 4.27 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 1.20 0.00 0.00 45 L 8.65 4.57 0.00 1.63 1.76 1.05 0.97 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 46 S 8.31 4.62 0.00 4.02 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 47 P 0.00 4.17 0.00 2.10 2.14 0.00 3.99 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 48 E 7.94 4.52 0.00 2.07 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 2.22 2.26 0.00 49 D 7.63 4.78 0.00 2.86 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 50 Q 7.97 4.34 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 51 G 7.99 3.91 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 0.00 0.00 0.00 52 P 0.00 4.39 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 53 L 8.47 4.14 0.00 1.77 1.82 0.70 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.40 4.82 0.00 2.91 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.13 5.16 2.22 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 1.16 0.00 0.00 56 E 9.14 5.36 0.00 2.02 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 2.14 2.25 0.00 57 W 9.31 5.15 0.00 3.23 3.20 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 0.00 58 L 9.04 5.25 0.00 1.50 1.46 0.86 0.87 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 59 I 9.26 4.34 1.40 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.12 0.43 0.00 0.00 60 S 8.68 4.98 0.00 3.67 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 61 P 0.00 4.80 0.00 2.06 1.90 0.00 3.85 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 62 A 7.92 4.27 1.26 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 0.00 0.00 *66 K 7.66 4.06 0.00 1.87 1.87 0.00 1.89 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 67 V 7.91 4.40 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 0.75 0.00 0.00 0.90 0.00 0.00 68 D 8.09 4.25 0.00 2.78 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 69 Q 8.38 4.39 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 70 V 8.51 3.96 1.74 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 0.49 0.00 0.00 0.80 0.00 0.00 71 I 8.79 4.56 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.90 0.00 0.00 72 I 7.60 5.06 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.76 0.52 0.00 0.00 73 L 9.64 5.55 0.00 2.00 1.77 0.93 0.70 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 Y 9.30 5.29 0.00 2.84 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 75 S 8.82 4.26 0.00 3.89 4.03 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 G 9.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.33 0.00 2.80 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 78 K 7.28 4.53 0.00 1.76 1.13 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.42 7.81 79 I 7.95 5.00 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 1.27 0.00 0.00 80 Y 8.90 4.81 0.00 3.30 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 81 D 8.69 5.02 0.00 2.73 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 82 D 7.60 4.79 0.00 2.52 2.43 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 83 Y 7.72 4.41 0.00 3.19 3.12 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 0.00 0.00 0.00 84 Y 7.89 4.39 0.00 3.10 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 85 P 0.00 4.25 0.00 2.03 2.02 0.00 3.06 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 86 D 7.81 4.39 0.00 2.93 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 87 L 8.27 4.47 0.00 2.07 1.77 0.99 0.77 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 88 K 7.65 3.90 0.00 1.81 1.83 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 89 G 9.15 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 0.00 0.00 0.00 90 R 8.18 4.48 0.00 1.98 1.94 0.00 3.13 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 91 V 7.59 4.68 2.05 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 0.64 0.00 0.00 0.95 0.00 0.00 92 H 8.66 4.98 0.00 3.19 3.12 0.00 5.67 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 93 F 8.87 4.62 0.00 3.00 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 94 T 9.04 4.07 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 1.42 0.00 0.00 95 S 8.02 4.33 0.00 4.06 3.90 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 0.00 0.00 0.00 96 N 8.70 4.52 0.00 2.87 2.92 0.00 0.00 5.87 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 97 D 7.80 4.40 0.00 2.59 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 98 L 8.19 4.18 0.00 1.24 0.70 -0.86 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.78 4.12 0.00 1.99 2.06 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.52 7.81 100 S 8.02 4.10 0.00 3.90 3.88 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 0.00 0.00 0.00 101 G 6.22 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 0.00 0.00 0.00 102 D 7.10 5.14 0.00 2.56 2.55 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 0.00 103 A 8.86 4.93 1.79 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 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.57 4.62 0.00 3.87 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 4.87 1.34 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.01 -0.15 0.00 0.00 106 N 9.07 5.10 0.00 2.70 2.94 0.00 0.00 6.81 7.68 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 0.00 107 V 7.62 5.02 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 1.07 0.00 0.00 0.59 0.00 0.00 *114 D 8.82 4.64 0.00 2.77 2.83 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 0.00 115 I 7.74 3.84 1.89 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 1.45 0.92 0.94 0.00 0.00 116 G 8.20 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 0.00 117 T 7.84 4.99 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 1.26 0.00 0.00 118 Y 9.91 5.16 0.00 2.93 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 0.00 119 Q 9.25 4.83 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.07 2.29 0.00 120 C 8.90 3.90 0.00 1.23 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 0.00 0.00 0.00 0.00 121 K 8.49 4.90 0.00 1.59 1.58 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.19 7.81 122 V 8.65 4.44 1.80 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 0.17 0.00 0.00 0.69 0.00 0.00 123 K 8.91 4.90 0.00 1.79 1.61 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.28 7.81 124 K 8.99 4.82 0.00 1.62 1.64 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.46 7.81 125 A 8.52 4.15 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 0.00 126 P 0.00 4.35 0.00 2.18 2.17 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 127 G 7.70 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 4.89 2.04 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 0.78 0.00 0.00 0.95 0.00 0.00 129 A 8.38 4.70 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 0.00 130 N 8.65 5.45 0.00 2.66 2.65 0.00 0.00 5.77 7.13 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 0.00 131 K 8.87 4.69 0.00 1.70 1.44 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.17 1.33 7.81 132 K 8.97 4.96 0.00 1.65 1.57 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.33 7.81 133 I 9.01 5.05 2.04 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 0.95 0.00 0.00 134 H 8.78 5.56 0.00 3.15 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 9.52 5.52 0.00 1.76 1.82 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.27 4.64 2.30 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 0.95 0.00 0.00 0.97 0.00 0.00 137 V 8.59 4.09 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 0.85 0.00 0.00 0.97 0.00 0.00 138 L 8.55 4.43 0.00 1.78 1.52 1.07 0.74 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 * Residues marked with a * may have inaccurate shift predictions.