NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1756 8.3444 121.7109 53.5882 31.6051 174.3840 2 E 4.4840 7.3967 113.2247 54.9432 32.3217 174.8264 3 C 4.9382 9.6411 127.5115 55.5405 47.3524 172.2844 4 T 4.4091 8.4547 123.9715 61.4059 70.0328 174.1327 5 K 4.2591 7.9506 124.9418 54.7174 32.6022 175.7548 6 F 4.4353 7.6096 124.7581 57.8647 39.7735 176.3229 7 K 4.6267 7.9257 124.3026 55.8851 32.8475 177.5739 8 V 3.9687 7.7399 118.7673 62.4843 31.9184 174.9248 9 S 4.7900 8.9871 121.0071 57.6080 64.0418 173.5501 10 S 4.3777 7.4573 113.4906 56.0500 67.4132 174.1229 11 C 2.4500 7.2624 120.8438 61.8089 31.1030 175.3700 12 R 3.7354 7.4312 119.6926 59.5209 29.5442 178.0945 13 E 4.3732 7.5906 118.2956 58.8406 29.7277 178.3795 14 C 4.4666 7.9632 118.4650 59.9462 42.0745 175.8283 15 I 3.6323 7.7455 121.2585 64.3353 36.4795 178.2841 16 E 4.2092 8.3660 119.3197 59.0373 28.9810 179.4207 17 S 4.2845 7.9013 114.7419 59.2255 63.3775 174.8182 18 G 4.1990 6.5811 111.8847 44.4883 0.0000 171.9852 19 P 4.3007 0.0000 0.0000 65.0835 31.4466 177.5851 20 G 4.2841 7.9014 105.8707 45.7044 0.0000 173.5817 21 C 4.8531 7.9657 118.5465 56.6984 37.4612 173.0695 22 T 4.9833 8.8738 112.0483 59.8154 73.0358 172.2715 23 W 5.3030 8.9442 131.0629 55.6671 33.9126 173.0432 24 C 4.6955 8.0932 128.6534 56.1454 43.0246 173.0192 25 Q 4.3740 8.7798 124.5569 56.0965 29.5276 175.8693 26 K 4.1324 7.6968 123.1517 56.0590 32.9485 176.9392 27 L 4.0461 8.8803 126.9048 58.1575 41.7833 179.2083 28 N 4.4260 8.2676 114.2915 56.1687 38.6492 175.9282 29 F 4.1409 8.1614 119.7642 60.3106 39.6001 174.8399 30 T 4.4099 7.4255 111.9754 59.8455 69.5924 172.8869 31 G 4.1440 7.8447 113.4371 42.6247 0.0000 172.5987 32 P 4.2212 0.0000 0.0000 65.6590 31.2057 178.6508 33 G 3.7225 7.9359 104.6555 47.8119 0.0000 173.8732 34 D 4.4834 7.5354 120.1671 53.3030 41.4962 174.5899 35 P 4.6073 0.0000 0.0000 62.2577 32.6836 177.1153 36 D 4.5000 8.6794 119.2143 57.2775 40.8021 178.8009 37 S 4.4648 8.1706 114.1525 60.4456 62.7746 176.0357 38 I 3.8708 7.4166 116.1755 63.7257 37.6347 177.9295 39 R 3.7930 7.8110 119.4766 56.9932 29.4746 174.6431 40 C 5.2623 7.3718 118.8872 55.6448 45.2383 171.9345 41 D 4.7394 8.6422 125.6144 52.9828 45.4399 174.2262 42 T 4.6387 8.3987 110.4154 61.1512 69.7493 175.3172 43 R 3.8552 8.8067 122.3359 59.4285 30.1194 177.0671 44 P 4.2798 0.0000 0.0000 65.4158 30.8330 178.5743 45 Q 3.9668 7.7529 116.0060 59.1823 28.6965 178.9885 46 L 4.0744 7.7521 119.3538 57.5800 41.4160 179.5331 47 L 4.2251 8.1240 121.7215 57.5672 41.9493 178.0657 48 M 4.4697 7.7567 113.3521 56.0003 31.6853 177.2015 49 R 4.4585 7.3870 117.5986 56.0136 30.9052 176.7637 50 G 4.0910 7.6990 107.2365 45.0858 0.0000 173.2049 51 C 4.3968 8.6928 121.1138 55.8844 40.1571 173.0577 52 A 4.3680 8.3845 129.0943 51.5526 19.1503 178.1336 53 A 3.9745 8.5725 123.2153 55.3052 18.5742 179.3581 54 D 4.6801 8.0335 111.9128 54.5801 39.8965 176.1068 55 D 4.8598 7.8587 119.4366 54.2565 42.8313 175.6506 56 I 4.4561 7.5021 120.5764 60.5771 37.7487 175.5410 57 M 4.2540 9.3208 128.8359 54.9904 33.0338 176.4138 58 D 5.2197 8.1666 121.4988 53.2818 42.1552 172.2760 59 P 4.4569 0.0000 0.0000 62.2544 32.6047 176.0757 60 T 4.9437 8.0182 118.2654 61.4450 71.4660 174.2817 61 S 5.1363 9.3024 121.2033 58.7139 63.6849 173.6344 62 L 4.7516 8.5240 121.4103 54.7820 43.8233 173.6562 63 A 5.1793 8.5776 121.4516 50.3575 21.4346 176.0486 64 E 4.5172 8.9568 121.8993 54.5269 32.7690 174.8706 65 T 4.2547 8.6293 124.7737 64.0553 68.6026 174.3188 66 Q 4.3395 8.4534 125.0767 57.6085 29.5395 175.9800 67 E 4.6956 7.8743 117.1994 54.6305 33.7231 174.6779 68 D 4.4381 8.5122 123.2697 53.1954 43.3394 174.7227 *73 Q 4.2200 8.7948 126.8949 55.5197 29.0967 176.7033 74 K 4.1486 8.3064 123.2894 58.9528 34.2988 178.2648 75 Q 4.3101 7.8151 116.1708 58.3990 30.3597 175.4914 76 L 5.1256 7.7412 119.2162 52.8285 43.2356 176.0394 77 S 4.8228 8.8635 118.2088 55.8074 66.0601 171.7535 78 P 4.8358 0.0000 0.0000 62.5920 32.1293 175.9471 79 Q 4.3160 8.6388 118.3527 57.7230 29.4345 176.9455 80 K 4.6938 8.1071 117.0814 54.4848 36.1664 175.9489 81 V 4.5438 8.1546 122.0824 61.4314 35.1379 174.2363 82 T 4.5360 8.8876 122.7875 61.6290 71.3792 172.8822 83 L 5.1546 8.3574 125.6519 53.1100 44.6596 175.2784 84 Y 4.4129 8.9508 121.3488 56.3888 39.9774 174.7312 85 L 4.6629 8.5120 124.9204 52.7335 43.7062 176.0630 86 R 4.1695 8.9734 126.3527 54.9186 31.3228 174.1746 87 P 4.3537 0.0000 0.0000 64.6641 31.6305 176.6935 88 G 3.8851 9.1635 111.0697 45.1704 0.0000 172.5163 89 Q 4.4185 7.7580 120.3707 53.5558 30.4249 174.9346 90 A 4.0755 8.6529 128.7610 52.1635 19.0950 176.0062 91 A 4.6960 8.4929 124.8083 50.4059 20.8202 176.3270 92 A 4.8864 8.4352 124.5259 50.3439 21.8986 175.3418 93 F 5.0136 8.0286 114.4916 55.6713 40.8978 173.2262 94 N 4.8118 8.7259 118.8024 51.5844 40.2753 174.5026 95 V 4.6872 8.1859 121.7961 61.5411 33.9132 174.5472 96 T 4.5919 9.0816 125.3445 62.1854 70.1050 173.6457 97 F 5.4848 8.7015 128.5834 56.6886 41.4633 174.8462 98 R 4.5314 6.6202 120.8464 55.6609 34.6597 174.0353 99 R 4.6216 7.9155 120.2200 55.9471 33.0177 174.6124 100 A 4.2298 8.1912 121.2643 52.3963 19.3350 175.8546 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 Q 8.34 4.18 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 2 E 7.40 4.48 0.00 2.06 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 2.13 2.36 0.00 3 C 9.64 4.94 0.00 3.07 2.88 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 4 T 8.45 4.41 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 0.57 0.00 0.00 5 K 7.95 4.26 0.00 1.79 1.80 0.00 1.39 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.51 1.42 7.81 6 F 7.61 4.44 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 7 K 7.93 4.63 0.00 1.80 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 8 V 7.74 3.97 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 1.00 0.00 0.00 0.99 0.00 0.00 9 S 8.99 4.79 0.00 3.89 3.92 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 10 S 7.46 4.38 0.00 3.77 3.76 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 0.00 0.00 0.00 0.00 11 C 7.26 2.45 0.00 1.76 2.42 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 12 R 7.43 3.74 0.00 1.78 1.77 0.00 3.19 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 13 E 7.59 4.37 0.00 2.05 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 2.32 2.11 0.00 14 C 7.96 4.47 0.00 3.28 3.30 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 0.00 15 I 7.75 3.63 1.83 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 1.70 0.92 0.91 0.00 0.00 16 E 8.37 4.21 0.00 2.21 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 2.32 2.46 0.00 17 S 7.90 4.28 0.00 4.00 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 18 G 6.58 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 0.00 0.00 0.00 0.00 19 P 0.00 4.30 0.00 2.20 2.22 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 20 G 7.90 4.28 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 0.00 21 C 7.97 4.85 0.00 3.11 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 22 T 8.87 4.98 4.40 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 1.27 0.00 0.00 23 W 8.94 5.30 0.00 3.41 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 24 C 8.09 4.70 0.00 2.11 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 0.00 0.00 0.00 25 Q 8.78 4.37 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 26 K 7.70 4.13 0.00 1.83 1.75 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.55 7.81 27 L 8.88 4.05 0.00 1.77 1.75 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.27 4.43 0.00 2.73 2.92 0.00 0.00 6.82 7.45 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 29 F 8.16 4.14 0.00 2.93 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 30 T 7.43 4.41 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 1.23 0.00 0.00 31 G 7.84 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 0.00 0.00 0.00 32 P 0.00 4.22 0.00 2.04 2.15 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 33 G 7.94 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 0.00 0.00 0.00 34 D 7.54 4.48 0.00 2.58 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 35 P 0.00 4.61 0.00 2.25 2.19 0.00 3.69 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 2.08 2.00 0.00 36 D 8.68 4.50 0.00 2.85 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 37 S 8.17 4.46 0.00 4.11 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 0.00 38 I 7.42 3.87 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.69 0.97 0.00 0.00 39 R 7.81 3.79 0.00 0.67 0.66 0.00 2.76 0.00 0.00 2.54 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 40 C 7.37 5.26 0.00 3.39 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 41 D 8.64 4.74 0.00 2.73 2.44 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 42 T 8.40 4.64 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 1.23 0.00 0.00 43 R 8.81 3.86 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 44 P 0.00 4.28 0.00 2.19 2.08 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 45 Q 7.75 3.97 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 46 L 7.75 4.07 0.00 1.64 1.53 0.80 0.17 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 47 L 8.12 4.23 0.00 2.00 1.76 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.76 4.47 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 49 R 7.39 4.46 0.00 2.23 2.11 0.00 3.18 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 50 G 7.70 4.09 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 0.00 0.00 0.00 51 C 8.69 4.40 0.00 2.71 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 52 A 8.38 4.37 1.36 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 53 A 8.57 3.97 1.30 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 0.00 0.00 0.00 54 D 8.03 4.68 0.00 2.79 2.79 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 55 D 7.86 4.86 0.00 2.50 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 56 I 7.50 4.46 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.88 0.00 0.00 57 M 9.32 4.25 0.00 1.94 2.15 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 2.74 2.72 0.00 58 D 8.17 5.22 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.46 0.00 2.08 1.95 0.00 3.68 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 2.01 2.09 0.00 60 T 8.02 4.94 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 1.29 0.00 0.00 61 S 9.30 5.14 0.00 3.79 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 62 L 8.52 4.75 0.00 1.67 1.73 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.58 5.18 1.36 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 64 E 8.96 4.52 0.00 2.13 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 2.23 2.29 0.00 65 T 8.63 4.25 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 66 Q 8.45 4.34 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 67 E 7.87 4.70 0.00 1.85 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 0.00 2.27 2.26 0.00 68 D 8.51 4.44 0.00 2.58 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 *73 Q 8.79 4.22 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 74 K 8.31 4.15 0.00 1.68 1.64 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 75 Q 7.82 4.31 0.00 1.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 76 L 7.74 5.13 0.00 1.59 1.71 1.01 1.00 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 77 S 8.86 4.82 0.00 3.86 3.65 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 78 P 0.00 4.84 0.00 2.37 2.07 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 79 Q 8.64 4.32 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 80 K 8.11 4.69 0.00 1.68 1.59 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.33 7.81 81 V 8.15 4.54 1.43 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 0.29 0.00 0.00 0.50 0.00 0.00 82 T 8.89 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 0.98 0.00 0.00 83 L 8.36 5.15 0.00 1.43 1.56 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.95 4.41 0.00 2.97 2.90 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 85 L 8.51 4.66 0.00 1.50 1.63 0.93 1.01 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 86 R 8.97 4.17 0.00 1.91 1.82 0.00 3.14 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 87 P 0.00 4.35 0.00 2.09 2.03 0.00 3.77 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 2.04 2.12 0.00 88 G 9.16 3.89 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 0.00 0.00 0.00 89 Q 7.76 4.42 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 90 A 8.65 4.08 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 91 A 8.49 4.70 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 92 A 8.44 4.89 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 93 F 8.03 5.01 0.00 3.11 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 94 N 8.73 4.81 0.00 2.77 2.79 0.00 0.00 6.70 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 95 V 8.19 4.69 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 0.98 0.00 0.00 1.05 0.00 0.00 96 T 9.08 4.59 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 1.24 0.00 0.00 97 F 8.70 5.48 0.00 3.04 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 98 R 6.62 4.53 0.00 1.68 1.56 0.00 3.16 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 99 R 7.92 4.62 0.00 1.58 1.79 0.00 3.30 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 100 A 8.19 4.23 1.16 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.