NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4589 8.1749 117.3745 63.5596 70.0427 173.2283 2 S 4.5179 9.6753 120.7382 55.2402 66.3911 171.5500 3 I 5.2508 8.1546 118.2022 59.5517 41.1431 174.0597 4 M 4.8636 8.8326 119.2062 54.5420 34.8952 173.1960 5 A 5.1620 8.4352 120.7610 50.3331 22.4275 175.5452 6 V 4.5366 8.9944 122.4491 61.1620 34.7030 174.7627 7 T 4.8115 8.6789 118.1166 60.7371 70.4008 173.6691 8 F 4.9710 8.5929 118.3478 54.8662 41.4041 174.8214 9 K 3.7597 9.1249 120.8452 59.6855 31.5687 176.7717 10 D 4.7229 7.6421 114.4399 53.4059 42.9611 177.6841 11 G 4.4382 5.3800 110.4205 45.5700 0.0000 175.8119 12 V 5.0204 7.9513 119.6953 60.2710 33.8325 172.7573 13 I 4.7221 9.0152 122.0400 59.6192 40.9107 174.2766 14 L 5.1706 8.6135 125.5485 53.0369 44.0104 176.0220 15 G 4.3619 9.1049 109.1630 44.9294 0.0000 171.0923 16 A 5.1876 8.2026 120.8176 50.8839 22.1933 176.3250 17 D 4.7642 8.4063 120.2577 52.3720 41.9659 176.5956 18 S 4.9070 8.3374 111.9040 57.1100 64.8545 172.7339 19 R 5.0695 8.7143 121.3402 55.5869 31.5240 175.5619 20 T 4.7768 8.8707 116.2138 60.1240 71.5865 172.9970 21 T 5.1099 8.7033 115.6494 59.9704 72.2402 174.1937 22 T 4.4758 8.7743 112.8581 60.2949 69.9657 175.0018 23 G 4.0721 8.2477 122.0243 47.0625 0.0000 172.9007 24 A 4.4543 8.7212 127.3985 51.8008 19.5345 176.4277 25 Y 4.4275 7.6653 118.8176 56.3091 39.6932 174.7785 26 I 4.1266 7.3709 127.9674 59.8478 36.4797 175.3765 27 A 4.1609 8.3074 129.5205 54.3524 18.7882 177.4981 28 N 4.9130 8.2517 114.0723 52.0532 41.8080 174.5894 29 R 4.5730 8.6441 120.2238 56.1796 30.6701 176.1600 30 V 4.5794 7.7886 112.4903 61.3651 31.7968 176.3317 31 T 4.0225 8.4432 117.1980 63.8270 69.9176 174.0278 32 D 4.6923 8.6420 124.7546 52.8075 42.1101 175.5293 33 K 4.3693 8.6286 124.1348 56.5385 33.5965 176.3276 34 L 4.7079 8.2246 121.6605 53.9962 42.0962 175.8409 35 T 4.5421 8.9571 121.7138 61.6667 71.1240 173.9173 36 R 3.4148 7.8512 125.9802 54.9370 30.2325 176.1962 37 V 4.1152 7.9977 119.2882 62.0767 33.1057 174.7143 38 H 4.6326 7.5336 117.6380 54.9755 32.7195 173.5370 39 D 4.5956 8.4434 121.3795 57.3343 40.5966 179.4343 40 K 5.0429 8.1087 117.3901 56.1193 33.7713 175.9640 41 I 5.1030 8.2904 120.7619 59.8740 40.9919 175.0081 42 W 5.3438 9.6855 127.0485 54.9330 33.4302 174.0963 43 C 5.2964 9.5368 114.6447 57.3713 33.1716 172.5892 44 C 5.1881 9.0539 118.0763 58.2341 30.2956 172.9875 45 R 4.9481 8.4605 123.1154 54.5910 31.3880 175.9991 46 S 4.5528 8.9975 117.8423 57.7104 66.6879 173.3521 47 G 3.9628 8.7938 105.5133 44.0465 0.0000 172.7589 48 S 4.1153 9.1642 115.7709 58.1992 63.1240 175.9458 49 A 3.9726 8.9178 129.6809 55.2206 18.2620 179.0753 50 A 3.9573 8.0586 118.7863 55.6764 18.3260 179.2559 51 D 4.2996 8.2101 117.3069 57.7998 40.9743 179.0467 52 T 3.9257 8.4838 110.4790 65.0165 68.6576 176.2519 53 Q 3.9641 8.5172 120.9062 58.7951 28.8905 178.7162 54 A 4.0953 8.0382 121.6261 55.1243 18.2891 179.8028 55 I 3.6350 8.1397 118.2312 64.4888 37.2023 178.3188 56 A 4.1010 8.6720 121.8281 55.5824 18.1195 179.1978 57 D 4.3192 8.5975 117.5715 57.8358 40.8026 179.4086 58 I 3.8497 7.5919 119.6149 64.0546 37.1450 178.4982 59 V 3.4000 7.7961 119.2997 65.9794 31.2046 177.6364 60 Q 4.0836 8.1944 119.4566 59.4344 28.8173 177.8702 61 Y 4.0159 7.6867 120.3020 61.1943 38.9181 177.7146 62 H 3.7888 8.5073 117.3728 58.9242 28.7011 177.8155 63 L 4.0439 8.3551 121.0765 57.4253 41.4546 179.0347 64 E 3.9169 8.2815 119.5900 59.1521 29.6222 178.7088 65 L 3.7973 7.7314 120.4141 58.0694 42.0413 178.0749 66 Y 3.9903 8.0008 119.5479 61.0159 38.4451 178.4108 67 T 4.6958 8.0259 116.9125 66.6027 68.7357 176.1904 68 S 4.1451 7.5356 115.4417 61.5965 62.8843 176.2287 69 Q 4.0359 7.2416 118.0071 56.6389 29.3891 176.1621 70 Y 4.5047 7.5375 114.9567 57.7277 39.5085 175.6459 *72 G 4.1545 7.4834 108.3808 45.6842 0.0000 171.9106 73 T 4.2657 8.5526 116.7607 63.0918 68.9427 172.3719 74 P 4.3564 0.0000 0.0000 61.9167 32.5220 176.6174 75 S 4.4676 8.0301 115.6205 58.0108 65.6035 175.4972 76 T 3.8913 8.1852 118.0699 66.5812 68.1588 176.5310 77 E 3.9222 8.1550 120.8357 59.7071 29.5861 178.9762 78 T 3.7708 7.8832 115.4321 66.4237 68.4875 176.5423 79 A 3.9252 7.7294 122.5367 55.2119 18.4123 179.5875 80 A 4.1676 8.2439 119.2670 55.2455 18.2935 179.8629 81 S 4.0412 7.9979 111.9380 61.5943 62.5840 176.6071 82 V 3.5460 7.9360 121.0015 65.7356 31.1244 178.0919 83 F 4.0197 8.2757 117.6385 60.4045 38.8280 177.3886 84 K 3.9673 8.5776 119.6630 59.5263 31.9680 178.0727 85 E 3.9819 8.5259 119.8308 59.4828 29.3215 178.9134 86 L 4.0169 7.8493 118.4303 58.2084 41.5243 179.4288 87 C 4.2387 8.3680 115.7091 62.6500 28.3082 175.4089 88 Y 4.2434 8.6105 121.6595 60.7304 38.4082 177.1638 89 E 3.9910 8.2437 118.5478 58.2360 29.3784 176.8344 90 N 5.0287 7.7129 116.0322 52.4197 39.5484 176.3783 91 K 3.6715 7.7909 120.9180 60.1828 32.7325 177.7366 92 D 4.3292 7.5852 118.1671 56.5542 40.9587 177.4494 *94 N 5.0935 7.8890 114.5691 52.5858 40.0529 173.7137 95 L 5.1707 7.7148 116.5853 53.5931 45.7060 176.7348 96 T 4.7650 8.8393 116.5716 61.5132 69.2188 171.3186 97 A 4.9736 8.1879 123.2137 49.7954 22.7210 175.8538 98 G 4.0643 9.4019 110.3215 43.7538 0.0000 171.7634 99 I 4.9938 8.3071 126.8156 58.9904 40.1065 175.3149 100 I 4.3556 8.4096 126.7643 59.5227 39.5346 174.5636 101 V 4.6772 8.3457 126.9288 61.1475 33.0136 174.6218 102 A 4.8438 9.1533 129.4975 50.2556 22.0706 174.9055 103 G 4.5378 8.6976 107.5294 45.1336 0.0000 171.1628 104 Y 4.6973 8.8763 122.6825 55.4097 40.7096 175.2647 105 D 4.2005 7.6189 124.7705 54.2030 41.6245 175.0608 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 1 T 8.17 4.46 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 2 S 9.68 4.52 0.00 3.70 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 3 I 8.15 5.25 1.88 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 1.40 0.93 0.92 0.00 0.00 4 M 8.83 4.86 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 5 A 8.44 5.16 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 6 V 8.99 4.54 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 1.10 0.00 0.00 0.94 0.00 0.00 7 T 8.68 4.81 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 1.23 0.00 0.00 8 F 8.59 4.97 0.00 3.23 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 9 K 9.12 3.76 0.00 1.83 2.13 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.54 7.81 10 D 7.64 4.72 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 5.38 4.44 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 12 V 7.95 5.02 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 0.80 0.00 0.00 1.04 0.00 0.00 13 I 9.02 4.72 1.88 0.00 0.00 0.53 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 1.05 0.86 0.00 0.00 14 L 8.61 5.17 0.00 1.45 1.57 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.10 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 16 A 8.20 5.19 1.20 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 0.00 0.00 17 D 8.41 4.76 0.00 2.71 2.72 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 18 S 8.34 4.91 0.00 3.97 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 19 R 8.71 5.07 0.00 1.79 2.02 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 20 T 8.87 4.78 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 1.22 0.00 0.00 21 T 8.70 5.11 4.45 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 1.19 0.00 0.00 22 T 8.77 4.48 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 23 G 8.25 4.07 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 0.00 0.00 0.00 24 A 8.72 4.45 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 25 Y 7.67 4.43 0.00 3.00 3.01 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 26 I 7.37 4.13 1.55 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 0.81 0.00 0.00 27 A 8.31 4.16 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 28 N 8.25 4.91 0.00 2.70 2.59 0.00 0.00 6.80 7.61 0.00 0.00 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 R 8.64 4.57 0.00 1.89 1.92 0.00 2.99 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 30 V 7.79 4.58 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 0.70 0.00 0.00 0.99 0.00 0.00 31 T 8.44 4.02 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 1.23 0.00 0.00 32 D 8.64 4.69 0.00 2.70 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 33 K 8.63 4.37 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.49 7.81 34 L 8.22 4.71 0.00 1.89 1.90 0.98 0.90 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 35 T 8.96 4.54 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 1.18 0.00 0.00 36 R 7.85 3.41 0.00 0.67 1.12 0.00 3.11 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 37 V 8.00 4.12 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 0.91 0.00 0.00 1.06 0.00 0.00 38 H 7.53 4.63 0.00 3.16 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.44 4.60 0.00 2.70 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 40 K 8.11 5.04 0.00 1.85 1.97 0.00 1.78 0.00 0.00 1.99 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.29 5.10 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 1.03 0.00 0.00 42 W 9.69 5.34 0.00 3.20 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 43 C 9.54 5.30 0.00 2.71 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 44 C 9.05 5.19 0.00 2.84 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 45 R 8.46 4.95 0.00 1.75 1.87 0.00 3.15 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 46 S 9.00 4.55 0.00 3.87 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 47 G 8.79 3.96 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 0.00 0.00 0.00 48 S 9.16 4.12 0.00 3.84 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 49 A 8.92 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.30 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 52 T 8.48 3.93 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 1.30 0.00 0.00 53 Q 8.52 3.96 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 54 A 8.04 4.10 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 55 I 8.14 3.64 2.19 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 1.10 0.00 0.00 56 A 8.67 4.10 1.51 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 0.00 0.00 0.00 57 D 8.60 4.32 0.00 2.89 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 58 I 7.59 3.85 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 1.03 0.00 0.00 59 V 7.80 3.40 1.65 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 0.55 0.00 0.00 -0.23 0.00 0.00 60 Q 8.19 4.08 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 61 Y 7.69 4.02 0.00 3.04 3.10 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 62 H 8.51 3.79 0.00 3.38 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.36 4.04 0.00 1.61 1.61 0.86 0.51 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 64 E 8.28 3.92 0.00 2.01 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 0.00 2.24 2.29 0.00 65 L 7.73 3.80 0.00 1.33 1.48 0.81 0.46 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 66 Y 8.00 3.99 0.00 3.32 3.13 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 67 T 8.03 4.70 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 S 7.54 4.15 0.00 3.87 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 69 Q 7.24 4.04 0.00 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 70 Y 7.54 4.50 0.00 2.25 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 *72 G 7.48 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 73 T 8.55 4.27 4.32 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 1.28 0.00 0.00 74 P 0.00 4.36 0.00 1.72 1.22 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 75 S 8.03 4.47 0.00 4.03 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 76 T 8.19 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 1.26 0.00 0.00 77 E 8.16 3.92 0.00 2.00 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 2.35 2.39 0.00 78 T 7.88 3.77 4.12 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 0.86 0.00 0.00 79 A 7.73 3.93 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 A 8.24 4.17 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 81 S 8.00 4.04 0.00 4.01 4.07 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 82 V 7.94 3.55 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 0.77 0.00 0.00 0.87 0.00 0.00 83 F 8.28 4.02 0.00 3.32 3.05 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 0.00 0.00 0.00 0.00 84 K 8.58 3.97 0.00 1.80 2.11 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.57 7.81 85 E 8.53 3.98 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 2.32 2.45 0.00 86 L 7.85 4.02 0.00 1.99 1.74 0.85 0.89 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 87 C 8.37 4.24 0.00 3.03 3.09 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 0.00 0.00 0.00 0.00 88 Y 8.61 4.24 0.00 2.97 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 89 E 8.24 3.99 0.00 2.39 2.00 0.00 0.00 0.00 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 2.43 0.00 90 N 7.71 5.03 0.00 2.91 2.74 0.00 0.00 6.56 7.51 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 91 K 7.79 3.67 0.00 1.83 2.05 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.39 1.31 7.81 92 D 7.59 4.33 0.00 2.65 2.72 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 *94 N 7.89 5.09 0.00 2.73 2.88 0.00 0.00 7.05 7.85 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 95 L 7.71 5.17 0.00 1.59 1.54 0.99 0.86 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 96 T 8.84 4.77 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 1.22 0.00 0.00 97 A 8.19 4.97 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 98 G 9.40 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 99 I 8.31 4.99 1.68 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 1.25 0.67 0.20 0.00 0.00 100 I 8.41 4.36 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.75 0.89 0.00 0.00 101 V 8.35 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 0.85 0.00 0.00 0.65 0.00 0.00 102 A 9.15 4.84 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 0.00 103 G 8.70 4.54 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 0.00 104 Y 8.88 4.70 0.00 2.97 2.89 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 0.00 105 D 7.62 4.20 0.00 2.45 2.21 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 * Residues marked with a * may have inaccurate shift predictions.