NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4477 8.2993 120.1296 56.0774 34.1818 176.5037 4 I 4.1115 7.9066 126.3370 60.3576 38.3957 174.7114 5 R 4.2395 8.8734 114.7164 56.8122 36.2892 176.9158 6 T 3.5765 7.3500 100.3250 61.8863 67.0838 170.7888 7 L 4.8921 8.1413 130.2390 53.0616 44.2515 175.2768 8 Q 5.5610 8.2399 121.7924 54.0757 30.3099 174.9745 9 G 4.0349 8.2879 111.2686 45.3243 0.0000 170.7714 10 R 4.6819 9.0866 120.3664 54.4877 34.0557 176.7626 11 V 5.1040 8.5424 123.6888 61.2140 30.6847 175.8154 12 V 3.9232 8.3335 127.4817 63.3487 32.5209 176.3288 13 S 4.4753 7.4688 113.3230 57.0358 65.6537 175.0005 14 D 5.0378 8.6146 127.2443 54.1146 41.3765 175.4661 15 K 4.4165 8.1423 117.4518 56.1636 33.8797 174.7592 16 M 4.4169 7.4224 118.7506 53.6835 33.3800 173.9207 17 E 3.9557 8.7807 124.6197 57.5076 29.6592 176.5652 18 K 4.3388 8.7988 123.5858 56.7810 29.6782 175.4212 19 S 5.2080 8.6183 116.0131 56.7518 66.1986 173.2523 20 I 4.9544 9.1652 124.7834 59.4883 41.1994 174.5188 21 V 4.6777 8.5389 124.3604 61.3425 34.3498 174.9202 22 V 4.9030 8.5542 125.8140 61.5750 34.7327 173.5507 23 A 5.7242 9.1297 130.1608 49.7812 21.6221 175.4238 24 I 4.8771 7.9572 121.0129 59.0461 40.8124 175.3096 25 E 4.4356 8.9177 124.2205 56.7609 31.0103 176.4784 26 R 4.4315 8.0914 114.9354 55.6514 33.6584 174.1121 27 F 5.0976 9.8460 125.9033 57.5538 39.9991 176.1836 28 V 4.1797 8.4019 121.0484 60.3110 33.4316 173.2260 29 K 3.1703 8.3627 126.5162 56.9294 32.0045 175.2591 30 H 4.5141 8.8172 127.7805 54.7565 30.6126 174.2274 31 P 3.9160 0.0000 0.0000 65.8975 31.1422 176.1431 32 I 4.5870 7.5884 115.0057 62.5858 44.1008 175.4328 33 Y 4.3940 7.3980 116.4268 61.0264 38.1179 175.2378 34 G 3.9175 9.0594 110.8988 46.0156 0.0000 172.7185 35 K 4.8354 7.3723 122.3007 52.2070 34.2904 174.8744 36 F 4.7395 9.1936 124.4825 57.2250 40.3455 175.0315 37 I 4.6682 8.0800 120.7367 59.2711 41.2035 174.4332 38 K 4.6556 8.4496 126.0447 56.0763 33.1270 176.0853 39 R 4.9127 9.0879 125.1214 54.8806 35.0342 173.8748 40 T 5.4345 8.2064 110.1940 59.6748 72.7916 173.5894 41 T 4.3401 7.9522 117.3725 62.6485 72.2923 173.3138 42 K 4.5414 8.5869 127.3715 55.6560 33.1465 176.5174 43 L 4.5229 8.6222 125.6950 52.8029 44.4420 176.1219 44 H 4.8566 8.5966 120.7333 56.1294 30.3725 174.5475 45 V 5.1351 9.0060 120.4557 62.0494 35.2489 173.4289 46 H 4.6982 9.1273 127.3383 56.2124 31.4394 174.3623 47 D 4.6227 7.3297 118.6739 53.8086 44.0631 175.7425 48 E 4.2772 8.3064 122.1664 56.1077 29.5263 176.7834 49 N 4.8699 8.2741 113.2642 51.2025 40.4970 175.5248 50 N 4.3359 8.4492 114.3331 53.7673 37.1314 174.6566 51 E 4.2876 7.9458 115.7019 56.4294 29.4959 175.8862 52 C 4.6164 7.8082 114.8107 56.6969 30.9179 174.0739 53 G 3.7778 8.5782 113.7259 45.3328 0.0000 172.1980 54 I 4.3565 8.2956 121.7523 57.1272 36.3029 175.9764 55 G 5.2812 7.6926 125.3887 46.3672 0.0000 171.4651 56 D 5.0120 6.9540 125.7507 52.7694 39.9809 178.2188 57 V 4.4399 7.5928 125.7722 63.6763 34.4511 170.0970 58 V 4.8677 7.9182 119.9953 59.4764 36.5213 173.9495 59 E 5.1567 8.5082 122.0172 54.8898 31.9245 174.1608 60 I 5.3013 8.5671 122.8492 59.2766 41.2107 172.6894 61 R 4.6894 8.3682 116.6189 56.4967 31.5520 173.8898 62 E 3.3716 7.8554 117.5527 55.1793 31.8852 174.7155 63 C 4.6421 7.8300 119.3273 58.6664 35.5805 173.3436 64 R 3.7805 8.8722 122.2943 55.9651 29.8314 174.3526 65 P 4.7047 0.0000 0.0000 62.7765 31.7332 175.0639 66 L 4.5297 8.6784 118.7815 56.0873 43.4627 176.4203 67 S 4.7861 7.5522 110.3541 55.8115 66.6360 173.2167 68 K 3.8378 8.6332 121.9843 58.7914 32.0839 176.7636 69 T 3.3007 8.3882 117.9239 62.9430 65.3430 169.8651 70 K 4.7339 7.1214 118.8053 56.1913 33.9168 173.9565 71 S 4.9620 8.1877 121.3099 57.6529 65.9092 173.1469 72 W 5.3337 8.3286 119.7889 55.1807 33.1024 174.1899 73 T 4.8716 8.5508 113.9774 59.7592 71.0240 173.0149 74 L 4.4165 8.6144 127.0720 55.2345 42.4496 176.3976 75 V 4.3097 8.6245 119.6844 63.1223 32.7837 176.8827 76 R 4.5632 7.6818 113.9628 54.6929 32.1723 175.0765 77 V 3.9721 8.6643 122.6205 63.9588 31.7123 175.4259 78 V 4.4116 8.6676 120.8679 62.7821 33.9858 174.7026 79 E 4.8219 8.2677 118.5029 53.8598 32.9069 173.9532 80 K 4.5218 8.0239 119.1986 55.2056 35.6464 175.6554 81 A 3.5123 8.4041 123.2450 52.5810 17.7013 176.4806 82 V 4.2019 8.0340 119.5452 60.4385 33.4400 176.7909 *83 L 4.1254 8.3944 121.7756 54.6058 41.4527 174.7065 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 3 K 8.30 4.45 0.00 1.74 1.11 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 4 I 7.91 4.11 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 1.40 0.36 0.87 0.00 0.00 5 R 8.87 4.24 0.00 1.71 1.95 0.00 3.44 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 6 T 7.35 3.58 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 1.24 0.00 0.00 7 L 8.14 4.89 0.00 1.81 1.74 1.01 0.85 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 8 Q 8.24 5.56 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 9 G 8.29 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 0.00 0.00 0.00 10 R 9.09 4.68 0.00 1.87 1.73 0.00 3.13 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 11 V 8.54 5.10 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 1.15 0.00 0.00 0.98 0.00 0.00 12 V 8.33 3.92 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 0.67 0.00 0.00 0.91 0.00 0.00 13 S 7.47 4.48 0.00 3.85 3.67 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 14 D 8.61 5.04 0.00 2.62 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 15 K 8.14 4.42 0.00 1.71 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.48 7.81 16 M 7.42 4.42 0.00 2.11 2.17 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 2.54 2.45 0.00 17 E 8.78 3.96 0.00 1.92 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 0.00 2.31 2.36 0.00 18 K 8.80 4.34 0.00 2.04 1.91 0.00 1.95 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.60 1.40 7.81 19 S 8.62 5.21 0.00 3.70 3.74 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 20 I 9.17 4.95 1.98 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 1.11 0.72 0.91 0.00 0.00 21 V 8.54 4.68 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 0.79 0.00 0.00 0.90 0.00 0.00 22 V 8.55 4.90 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 0.84 0.00 0.00 0.92 0.00 0.00 23 A 9.13 5.72 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 4.88 1.84 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 1.42 0.72 0.94 0.00 0.00 25 E 8.92 4.44 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 2.40 0.00 26 R 8.09 4.43 0.00 1.96 2.01 0.00 3.13 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 27 F 9.85 5.10 0.00 2.96 3.32 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 28 V 8.40 4.18 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 0.77 0.00 0.00 0.88 0.00 0.00 29 K 8.36 3.17 0.00 1.34 1.61 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.32 1.39 7.81 30 H 8.82 4.51 0.00 3.44 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 3.92 0.00 2.00 2.03 0.00 3.34 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.68 0.00 32 I 7.59 4.59 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.35 0.00 0.00 33 Y 7.40 4.39 0.00 2.83 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 34 G 9.06 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 0.00 0.00 0.00 35 K 7.37 4.84 0.00 1.87 1.78 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.63 7.81 36 F 9.19 4.74 0.00 2.93 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 37 I 8.08 4.67 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.15 0.91 0.00 0.00 38 K 8.45 4.66 0.00 1.60 1.63 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.36 7.81 39 R 9.09 4.91 0.00 1.71 1.73 0.00 3.27 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 40 T 8.21 5.43 4.21 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 1.21 0.00 0.00 41 T 7.95 4.34 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 1.11 0.00 0.00 42 K 8.59 4.54 0.00 1.53 1.62 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.40 7.81 43 L 8.62 4.52 0.00 1.12 0.97 0.59 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.60 4.86 0.00 3.22 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.01 5.14 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 1.35 0.00 0.00 1.11 0.00 0.00 46 H 9.13 4.70 0.00 3.22 3.27 0.00 6.06 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.33 4.62 0.00 2.77 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 48 E 8.31 4.28 0.00 2.17 1.98 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 2.32 2.40 0.00 49 N 8.27 4.87 0.00 2.85 2.75 0.00 0.00 7.04 6.46 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 50 N 8.45 4.34 0.00 2.95 2.91 0.00 0.00 6.63 7.11 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 51 E 7.95 4.29 0.00 2.03 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 2.30 2.25 0.00 52 C 7.81 4.62 0.00 3.12 2.97 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 53 G 8.58 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 54 I 8.30 4.36 1.87 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 1.34 1.03 0.91 0.00 0.00 55 G 7.69 5.28 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 56 D 6.95 5.01 0.00 2.80 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 0.00 0.00 0.00 0.00 57 V 7.59 4.44 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 0.91 0.00 0.00 1.00 0.00 0.00 58 V 7.92 4.87 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 0.65 0.00 0.00 0.95 0.00 0.00 59 E 8.51 5.16 0.00 1.88 1.91 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 2.21 2.24 0.00 60 I 8.57 5.30 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 2.31 1.00 0.00 0.00 61 R 8.37 4.69 0.00 1.67 1.91 0.00 2.95 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 62 E 7.86 3.37 0.00 1.30 1.44 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 1.47 1.47 0.00 63 C 7.83 4.64 0.00 2.87 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 64 R 8.87 3.78 0.00 1.78 1.86 0.00 3.31 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 65 P 0.00 4.70 0.00 2.24 2.11 0.00 3.38 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 66 L 8.68 4.53 0.00 1.68 1.74 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.55 4.79 0.00 3.80 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 68 K 8.63 3.84 0.00 1.70 1.70 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 69 T 8.39 3.30 4.13 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 1.25 0.00 0.00 70 K 7.12 4.73 0.00 1.76 1.70 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.33 7.81 71 S 8.19 4.96 0.00 4.20 4.13 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 72 W 8.33 5.33 0.00 3.20 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 73 T 8.55 4.87 4.31 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 1.24 0.00 0.00 74 L 8.61 4.42 0.00 1.74 1.65 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.62 4.31 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 0.75 0.00 0.00 1.04 0.00 0.00 76 R 7.68 4.56 0.00 1.89 1.98 0.00 3.05 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 77 V 8.66 3.97 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 0.82 0.00 0.00 0.94 0.00 0.00 78 V 8.67 4.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 79 E 8.27 4.82 0.00 1.90 1.72 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 2.18 2.32 0.00 80 K 8.02 4.52 0.00 1.86 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.35 7.81 81 A 8.40 3.51 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 82 V 8.03 4.20 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 0.74 0.00 0.00 0.93 0.00 0.00 *83 L 8.39 4.13 0.00 1.43 1.52 0.92 0.77 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 * Residues marked with a * may have inaccurate shift predictions.