NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2417 8.1133 117.2695 56.4664 30.4116 176.6788 11 S 3.9668 8.4734 115.5331 58.5219 62.9035 174.5543 12 G 3.6737 7.6831 113.3759 48.0864 0.0000 176.2733 13 R 3.9860 7.6286 115.2600 58.4331 29.7584 177.2667 14 F 4.9599 8.0581 116.8378 57.1603 40.1312 176.7695 15 G 3.7122 7.6297 109.6643 47.1143 0.0000 174.1667 16 A 4.4208 8.5683 128.1159 52.2228 18.6954 177.3033 17 R 4.1144 7.3956 117.2317 57.1444 31.5353 176.5928 18 Y 3.9511 8.2115 116.6502 57.4384 36.6238 171.0803 19 G 4.0590 7.9301 103.2400 45.3730 0.0000 173.5986 20 R 3.9499 8.1963 116.7540 59.1642 29.8550 179.0664 21 V 3.5466 7.7806 116.8161 66.6131 31.6665 178.2093 22 S 4.1177 8.1304 114.0019 61.8048 62.9331 176.7755 23 R 4.3937 7.8380 117.3044 58.2043 29.5590 178.6150 24 R 3.9310 8.5064 120.8231 59.6062 30.0497 178.5134 25 R 4.0072 8.2558 117.9325 58.8875 29.9782 179.2052 26 V 3.5453 7.8207 117.7841 65.7230 31.5351 178.0197 27 A 3.9509 7.9717 120.3050 55.1621 18.4118 179.3991 28 E 3.8995 8.2125 117.0386 59.6300 29.5955 179.7224 29 I 3.6880 7.9723 119.9046 64.6511 37.1654 178.5609 30 E 4.0759 8.3602 119.3144 59.0399 28.9477 179.4277 31 S 4.0674 8.2806 113.2610 61.5393 62.4950 175.6467 32 E 4.2557 8.1415 121.5772 59.3845 29.1027 178.3894 33 M 4.6443 7.9653 119.1537 58.0028 32.4823 177.1960 34 N 4.7606 8.3217 114.0724 53.1139 39.2867 175.3389 35 E 4.1900 7.0096 119.8582 55.7941 30.2474 176.4326 36 D 4.4986 8.3502 120.6833 54.8075 41.8268 175.7229 37 H 5.0606 8.5478 119.2273 53.7404 32.5769 172.7116 38 A 4.6805 8.6559 124.6724 51.3536 18.7760 176.8294 39 C 4.0984 9.0178 124.1482 59.9768 31.5583 172.5266 40 P 4.2004 0.0000 0.0000 65.3598 30.6119 176.7187 41 N 3.9628 7.0585 116.5913 55.3091 39.7263 178.0064 42 C 4.5608 7.5433 120.9671 57.7616 31.9619 174.3388 43 G 4.0693 8.4502 109.8593 45.2095 0.0000 172.2073 44 E 3.9348 7.9617 121.5320 55.5334 30.7317 176.6272 45 D 4.9083 8.1265 126.9512 53.5378 38.8951 176.3342 46 R 4.7815 7.5633 113.1147 55.9484 32.6271 176.6170 47 V 4.8802 7.9402 119.2110 61.9921 32.5245 174.7465 48 D 5.3940 9.4671 127.5182 52.2682 44.8596 175.4871 49 R 3.4014 8.6394 121.0877 56.0992 30.5994 176.2909 50 Q 4.2872 8.3349 123.4687 55.5111 30.6721 175.5820 51 G 3.6276 6.6590 103.6204 45.7385 0.0000 171.2895 52 T 3.4359 8.3369 117.2734 64.8730 68.1701 174.7314 53 G 4.3305 8.4859 114.5935 46.3975 0.0000 171.3575 54 I 4.5902 6.9713 121.4054 59.0779 39.2753 174.7935 55 W 4.9829 8.6218 126.9672 54.8590 32.7715 174.4702 56 Q 5.1400 9.1194 123.1461 54.9284 32.7877 172.8154 57 C 5.3088 9.3307 126.9885 58.2652 32.2692 174.7260 58 S 4.1722 9.2636 122.4960 61.2724 62.7659 175.0609 59 Y 4.3475 8.0176 122.1668 59.7715 38.8548 175.6311 60 C 4.2129 8.0608 112.7091 57.6734 30.6678 174.1706 61 D 4.8152 8.5342 120.0606 53.9199 39.3050 173.5168 62 Y 4.3860 8.0323 120.9107 58.4687 39.6735 174.6654 63 K 5.0612 8.5366 128.1842 54.6233 34.2544 174.8140 64 F 5.0150 9.1145 121.9669 55.5909 42.0974 173.1270 65 T 4.8278 8.6587 109.2493 61.1846 69.9665 175.0038 66 G 4.2193 8.0557 110.8066 45.9945 0.0000 171.7411 67 G 4.1259 8.6558 111.5503 44.8588 0.0000 174.5891 68 S 3.9834 8.4597 114.4969 60.7815 62.8210 175.0580 69 Y 5.0360 7.7853 114.1361 57.2916 39.7597 174.9767 70 K 4.5864 7.9311 119.2912 53.6085 35.9697 175.4584 71 P 2.9700 0.0000 0.0000 64.0409 31.6646 176.0258 72 E 4.7805 7.6107 117.3636 53.9790 32.9351 175.3966 73 T 4.6936 8.0242 112.4171 59.1986 72.4445 173.6274 74 P 4.3899 0.0000 0.0000 65.5902 31.1081 179.3379 75 G 3.7228 8.0938 104.4931 47.6734 0.0000 176.0071 76 G 3.6506 7.9388 107.2395 47.4197 0.0000 175.6801 77 K 4.1642 8.1426 120.7994 59.5639 31.6438 179.5648 78 T 3.7047 7.6520 115.2312 66.3066 68.0689 176.5820 79 V 3.6264 7.2671 119.4823 66.1232 31.5665 177.1197 80 R 4.1176 7.1570 115.6810 59.3975 31.1293 178.1883 81 R 3.8450 7.8453 111.5795 58.1593 29.2961 177.0339 82 S 4.2918 9.1047 119.8050 59.2940 62.6402 175.3045 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 10 R 8.11 4.24 0.00 1.98 2.02 0.00 2.92 0.00 0.00 3.33 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 11 S 8.47 3.97 0.00 4.05 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 12 G 7.68 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 0.00 0.00 0.00 13 R 7.63 3.99 0.00 1.84 1.94 0.00 2.85 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.93 0.00 14 F 8.06 4.96 0.00 3.45 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 15 G 7.63 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 0.00 0.00 0.00 16 A 8.57 4.42 1.23 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 0.00 0.00 17 R 7.40 4.11 0.00 0.78 0.66 0.00 2.88 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.00 18 Y 8.21 3.95 0.00 3.03 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 19 G 7.93 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 20 R 8.20 3.95 0.00 1.88 1.97 0.00 3.18 0.00 0.00 3.28 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 21 V 7.78 3.55 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 1.07 0.00 0.00 0.94 0.00 0.00 22 S 8.13 4.12 0.00 4.05 3.83 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 23 R 7.84 4.39 0.00 2.29 2.59 0.00 2.96 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.73 0.00 24 R 8.51 3.93 0.00 1.96 2.14 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 25 R 8.26 4.01 0.00 1.89 1.93 0.00 3.17 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 26 V 7.82 3.55 2.27 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 1.20 0.00 0.00 1.11 0.00 0.00 27 A 7.97 3.95 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 28 E 8.21 3.90 0.00 2.23 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 2.34 2.45 0.00 29 I 7.97 3.69 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.56 0.00 0.00 30 E 8.36 4.08 0.00 2.05 2.01 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 2.32 2.50 0.00 31 S 8.28 4.07 0.00 4.01 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 32 E 8.14 4.26 0.00 2.16 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 0.00 2.38 2.52 0.00 33 M 7.97 4.64 0.00 2.34 2.42 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.16 2.72 0.00 34 N 8.32 4.76 0.00 2.77 2.88 0.00 0.00 7.08 8.12 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 35 E 7.01 4.19 0.00 1.92 1.83 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 2.35 2.55 0.00 36 D 8.35 4.50 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.55 5.06 0.00 3.23 3.10 0.00 5.61 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 38 A 8.66 4.68 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 39 C 9.02 4.10 0.00 3.11 3.04 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 0.00 0.00 0.00 0.00 40 P 0.00 4.20 0.00 1.79 1.88 0.00 3.42 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.80 0.00 41 N 7.06 3.96 0.00 1.68 2.45 0.00 0.00 6.97 7.65 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 42 C 7.54 4.56 0.00 3.21 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 43 G 8.45 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 44 E 7.96 3.93 0.00 1.97 1.82 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 1.75 2.23 0.00 45 D 8.13 4.91 0.00 2.59 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 46 R 7.56 4.78 0.00 1.85 1.98 0.00 3.36 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 47 V 7.94 4.88 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 1.10 0.00 0.00 1.28 0.00 0.00 48 D 9.47 5.39 0.00 2.61 2.56 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 49 R 8.64 3.40 0.00 1.16 1.45 0.00 2.93 0.00 0.00 2.87 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 50 Q 8.33 4.29 0.00 1.79 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 51 G 6.66 3.63 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 0.00 0.00 0.00 52 T 8.34 3.44 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 1.06 0.00 0.00 53 G 8.49 4.33 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 0.00 54 I 6.97 4.59 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.71 0.00 0.00 55 W 8.62 4.98 0.00 1.78 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 56 Q 9.12 5.14 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.66 0.00 57 C 9.33 5.31 0.00 3.33 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 58 S 9.26 4.17 0.00 4.08 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 59 Y 8.02 4.35 0.00 2.92 3.08 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 0.00 0.00 0.00 0.00 60 C 8.06 4.21 0.00 3.05 2.91 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 61 D 8.53 4.82 0.00 2.90 3.02 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 62 Y 8.03 4.39 0.00 3.07 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 63 K 8.54 5.06 0.00 1.75 1.59 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.31 7.81 64 F 9.11 5.01 0.00 3.02 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 65 T 8.66 4.83 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 1.22 0.00 0.00 66 G 8.06 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 0.00 0.00 0.00 0.00 67 G 8.66 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 0.00 0.00 0.00 68 S 8.46 3.98 0.00 3.12 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 69 Y 7.79 5.04 0.00 3.18 3.04 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 0.00 0.00 0.00 0.00 70 K 7.93 4.59 0.00 1.79 1.56 0.00 1.80 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.51 7.81 71 P 0.00 2.97 0.00 1.84 0.81 0.00 3.03 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 72 E 7.61 4.78 0.00 1.85 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 0.00 2.17 2.18 0.00 73 T 8.02 4.69 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 74 P 0.00 4.39 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 75 G 8.09 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 76 G 7.94 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 0.00 0.00 0.00 77 K 8.14 4.16 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.67 7.81 78 T 7.65 3.70 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 1.21 0.00 0.00 79 V 7.27 3.63 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 0.84 0.00 0.00 0.96 0.00 0.00 80 R 7.16 4.12 0.00 1.95 2.01 0.00 3.23 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 81 R 7.85 3.84 0.00 2.01 1.75 0.00 3.20 0.00 0.00 3.27 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 82 S 9.10 4.29 0.00 3.97 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