NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5959 8.3644 120.5344 53.9932 42.3037 174.3123 2 R 4.0099 8.2945 121.4669 54.7935 30.8110 170.6595 3 V 3.8769 9.1031 126.4154 61.7490 32.7878 175.4848 4 K 4.3371 8.3211 126.7662 55.9565 32.8701 176.6356 5 R 4.1298 8.0565 119.2604 54.6973 30.9520 175.2185 6 P 4.3537 0.0000 0.0000 62.4771 32.1921 176.0648 7 M 4.1274 8.3055 120.6751 55.2300 32.6773 176.8925 8 N 4.7153 8.4596 121.1164 51.4569 40.4309 175.8832 9 A 4.2054 8.5595 121.7647 55.7172 18.1609 179.5582 10 F 2.6372 7.7664 118.1048 61.2661 39.2440 177.0720 11 M 3.8289 8.8671 119.8961 57.4363 31.4087 179.0643 12 V 3.5887 7.4110 117.8344 65.6462 32.0651 177.6268 13 W 4.0779 8.0847 128.2335 60.5393 30.0958 177.9548 14 S 3.3685 7.9269 114.3719 61.2680 61.8049 176.1569 15 R 3.8370 7.2610 121.6011 59.5139 29.9008 178.2903 16 G 3.4826 8.0185 106.0206 47.4731 0.0000 175.5300 17 Q 3.7363 7.1767 120.3046 58.0181 28.7068 179.0368 18 R 3.8556 8.3073 122.4597 60.3563 30.0004 179.2873 19 R 3.9851 7.7970 121.8501 61.6310 29.6687 181.8536 20 K 4.8275 7.4435 120.7026 53.8265 31.2975 177.8651 21 M 4.4361 7.5209 123.5115 55.7929 37.7252 176.4062 22 A 3.9452 7.9425 121.1179 55.1269 18.4125 179.4726 23 Q 3.9548 8.0224 119.0254 60.0606 29.2995 178.3147 24 E 4.1981 8.1387 117.5187 60.1181 31.0669 178.5040 25 N 5.1287 7.7674 115.8088 51.0084 39.1864 171.2804 26 P 4.4567 0.0000 0.0000 63.1829 32.4519 178.7386 27 K 3.8809 8.5012 116.0523 55.5841 30.0989 170.9879 28 M 4.5267 7.7535 116.9496 55.7063 33.3655 175.9816 29 H 4.5957 8.6313 122.1910 55.2454 31.2140 176.3599 30 N 4.3398 8.7688 121.0763 56.6160 38.3348 177.5727 31 S 4.4036 8.2100 116.0563 62.0086 62.9424 176.4202 32 E 3.9652 8.1751 120.9893 59.1371 29.4273 178.7299 33 I 3.7072 7.7266 119.9501 64.5249 37.2353 178.3103 34 S 4.2485 8.9152 117.0518 61.7089 62.7331 176.8787 35 K 3.9210 8.2228 120.9077 59.7115 31.7710 179.3967 36 R 3.9718 8.1964 117.9465 59.4044 30.0772 178.8747 37 L 4.4499 8.7531 119.0863 58.3467 41.8528 179.4266 38 G 3.7742 9.0560 105.1922 48.2365 0.0000 175.0714 39 A 4.0423 8.0680 123.1117 54.6288 18.8152 178.8700 40 E 4.0859 8.6384 117.8678 59.2165 29.6219 178.7888 41 W 3.4859 8.7187 128.5468 60.2635 30.6008 177.7975 42 K 4.0471 7.7254 113.1089 57.4495 31.3318 177.3146 43 L 4.5139 7.2157 118.3823 54.3537 43.1783 177.0094 44 L 4.1942 7.3853 119.4980 54.1985 42.2353 176.7942 45 S 4.3909 9.1162 118.8417 57.7463 64.3096 175.9056 46 E 3.3340 8.6421 118.0274 58.9087 29.5197 179.6886 47 T 4.2661 7.6548 111.7001 65.9075 69.1530 176.2345 48 E 4.2915 8.7525 121.0145 57.8754 29.8676 178.3113 49 K 4.1797 7.9272 118.2698 59.1630 32.5226 179.3670 50 R 3.8284 7.7404 119.0914 58.7178 30.2636 176.3985 51 P 4.1521 0.0000 0.0000 65.6912 31.2733 178.2957 52 F 4.2175 8.8227 117.9389 60.0585 39.1392 177.9795 53 I 3.9177 8.0532 119.1973 64.4251 36.8400 178.0727 54 D 4.3632 8.3584 119.9670 57.4408 40.7414 178.4639 55 E 3.9187 8.5805 119.8910 59.0740 29.4935 178.6745 56 A 4.0534 8.4917 121.4636 54.8772 18.3238 179.5877 57 K 3.8776 7.8659 116.5426 59.8952 32.1179 179.6727 58 R 3.9296 7.7293 118.1703 59.3316 29.9518 179.1568 59 L 3.7353 8.0690 118.7537 57.7372 41.5245 179.6004 60 R 3.8920 8.2297 118.7281 59.2221 30.0096 178.4802 61 A 4.0180 8.2958 121.0813 54.9636 18.3998 179.2963 62 L 3.8872 8.7587 120.0243 58.5062 42.2356 178.6973 63 H 4.0633 8.4043 118.1699 59.5446 29.3468 177.2181 64 M 4.1458 7.9471 120.0574 58.3531 31.5888 178.7801 65 K 3.9875 7.7873 117.4675 59.4581 32.3957 178.5325 66 E 4.2593 7.9394 115.5546 56.9873 31.3680 176.9517 67 H 4.9502 7.7949 116.0526 53.5508 30.2299 172.2275 68 P 4.4486 0.0000 0.0000 64.2821 31.7966 177.4249 69 D 4.8188 7.9255 114.6176 53.7164 41.8216 175.8561 70 Y 4.1645 7.9518 123.3116 58.5385 39.1926 176.2907 71 K 4.3583 7.4982 126.7894 52.4020 35.6057 172.9517 72 Y 4.2710 8.2670 124.7572 56.8582 39.3514 176.0638 73 R 4.2104 7.7547 125.5081 53.2481 30.8813 171.6943 74 P 4.0985 0.0000 0.0000 62.0343 32.3526 176.8844 75 R 4.3108 8.2004 121.0852 53.8067 31.7355 174.6169 76 R 3.7569 8.8326 126.3717 56.7181 29.6514 176.5373 77 K 3.9521 8.4825 126.3968 54.9967 32.1893 173.7230 78 T 4.2872 8.3615 118.7390 64.5354 68.9460 173.9373 79 K 4.1440 8.6464 135.0000 56.0349 37.4831 172.0821 *80 T 4.2236 8.0237 115.4037 60.7420 69.0835 175.2277 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 D 8.36 4.60 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 4.01 0.00 1.88 1.85 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 3 V 9.10 3.88 2.24 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 0.36 0.00 0.00 0.99 0.00 0.00 4 K 8.32 4.34 0.00 1.75 1.71 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.46 7.81 5 R 8.06 4.13 0.00 1.68 1.67 0.00 2.68 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 6 P 0.00 4.35 0.00 2.08 1.80 0.00 3.53 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 7 M 8.31 4.13 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 8 N 8.46 4.72 0.00 2.99 2.94 0.00 0.00 6.11 7.75 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 9 A 8.56 4.21 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 2.64 0.00 2.07 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 11 M 8.87 3.83 0.00 1.94 2.23 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 2.60 2.74 0.00 12 V 7.41 3.59 2.40 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 1.02 0.00 0.00 1.01 0.00 0.00 13 W 8.08 4.08 0.00 2.82 2.71 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 14 S 7.93 3.37 0.00 3.68 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 15 R 7.26 3.84 0.00 1.86 2.21 0.00 3.21 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 16 G 8.02 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.18 3.74 0.00 1.51 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 18 R 8.31 3.86 0.00 1.83 2.03 0.00 3.17 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 1.57 1.66 0.00 19 R 7.80 3.99 0.00 1.87 1.91 0.00 3.32 0.00 0.00 3.20 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 20 K 7.44 4.83 0.00 1.79 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.25 7.81 21 M 7.52 4.44 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 22 A 7.94 3.95 1.38 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 0.00 0.00 0.00 23 Q 8.02 3.95 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 24 E 8.14 4.20 0.00 2.11 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 2.23 1.95 0.00 25 N 7.77 5.13 0.00 2.62 2.87 0.00 0.00 7.24 7.03 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 26 P 0.00 4.46 0.00 2.25 2.20 0.00 4.05 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 27 K 8.50 3.88 0.00 1.96 1.83 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.98 7.81 28 M 7.75 4.53 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 29 H 8.63 4.60 0.00 3.25 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.77 4.34 0.00 2.74 2.89 0.00 0.00 6.96 7.57 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 31 S 8.21 4.40 0.00 3.88 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 32 E 8.18 3.97 0.00 2.08 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 0.00 2.39 2.48 0.00 33 I 7.73 3.71 2.00 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 1.53 0.62 0.91 0.00 0.00 34 S 8.92 4.25 0.00 3.98 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 35 K 8.22 3.92 0.00 2.04 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.73 7.81 36 R 8.20 3.97 0.00 2.07 2.05 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 37 L 8.75 4.45 0.00 2.02 2.27 0.82 0.81 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 38 G 9.06 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 39 A 8.07 4.04 1.42 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 0.00 0.00 40 E 8.64 4.09 0.00 2.25 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 2.58 2.48 0.00 41 W 8.72 3.49 0.00 3.10 3.21 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 42 K 7.73 4.05 0.00 1.80 1.80 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.55 7.81 43 L 7.22 4.51 0.00 1.79 1.62 0.91 0.94 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 44 L 7.39 4.19 0.00 0.92 1.12 0.01 0.71 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 45 S 9.12 4.39 0.00 3.88 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 46 E 8.64 3.33 0.00 1.91 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 2.32 1.93 0.00 47 T 7.65 4.27 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 1.21 0.00 0.00 48 E 8.75 4.29 0.00 1.89 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 2.32 2.30 0.00 49 K 7.93 4.18 0.00 1.63 1.73 0.00 1.31 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.30 0.88 7.81 50 R 7.74 3.83 0.00 2.16 1.92 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 51 P 0.00 4.15 0.00 1.80 2.14 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 52 F 8.82 4.22 0.00 3.61 3.43 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 53 I 8.05 3.92 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.39 1.00 0.00 0.00 54 D 8.36 4.36 0.00 2.91 2.70 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 55 E 8.58 3.92 0.00 2.02 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 2.36 2.41 0.00 56 A 8.49 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 3.88 0.00 2.08 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.71 7.81 58 R 7.73 3.93 0.00 1.96 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 59 L 8.07 3.74 0.00 1.87 1.72 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.23 3.89 0.00 1.95 2.13 0.00 3.10 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 61 A 8.30 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 62 L 8.76 3.89 0.00 1.83 1.86 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.40 4.06 0.00 3.37 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.95 4.15 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.67 0.00 65 K 7.79 3.99 0.00 1.90 1.87 0.00 1.69 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 1.48 1.71 7.81 66 E 7.94 4.26 0.00 1.75 1.70 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 2.24 2.35 0.00 67 H 7.79 4.95 0.00 3.18 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.45 0.00 2.06 2.15 0.00 3.72 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.33 0.00 69 D 7.93 4.82 0.00 2.69 2.71 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 70 Y 7.95 4.16 0.00 2.99 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 71 K 7.50 4.36 0.00 1.75 1.49 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 0.96 7.81 72 Y 8.27 4.27 0.00 2.82 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 73 R 7.75 4.21 0.00 1.62 1.63 0.00 3.13 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 74 P 0.00 4.10 0.00 2.04 1.65 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 75 R 8.20 4.31 0.00 1.72 1.84 0.00 3.22 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 76 R 8.83 3.76 0.00 1.72 1.90 0.00 3.30 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 77 K 8.48 3.95 0.00 1.81 1.62 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.06 7.81 78 T 8.36 4.29 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 79 K 8.65 4.14 0.00 1.71 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.15 0.87 7.81 *80 T 8.02 4.22 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 * Residues marked with a * may have inaccurate shift predictions.