# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 85.66 9.74 14.43 24.87 119.25 -163.35 -102.46 138.91 99.88 0.12 0.00 99.87 0.04 0.01 0.00 0.00 0.00 0.07 0.00 1 K C C 114.41 6.58 16.18 23.85 118.86 -155.12 -106.77 136.44 53.62 46.32 0.06 51.84 0.72 0.35 0.01 0.04 0.00 46.20 0.83 2 A E E 29.91 13.45 15.06 29.43 127.21 -166.79 -122.56 145.77 12.75 87.23 0.02 10.94 1.36 0.11 0.00 0.02 0.00 87.23 0.34 3 A E E 23.69 12.26 19.77 33.36 126.29 -161.17 -123.00 143.14 2.68 97.32 0.00 2.39 0.15 0.00 0.00 0.00 0.00 97.42 0.04 4 Y E E 32.85 17.87 18.87 37.16 122.43 -156.71 -115.35 135.32 0.51 99.49 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 5 I E E 29.42 13.39 22.91 37.32 120.54 -159.99 -113.47 128.60 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 6 I E E 17.97 20.00 19.84 40.25 119.85 -164.33 -110.87 129.75 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 7 K E E 53.32 11.91 22.62 35.13 127.39 -172.37 -123.41 143.49 1.51 98.49 0.00 1.31 0.06 0.01 0.00 0.00 0.00 98.56 0.06 8 E E E 51.02 14.03 17.44 32.04 115.45 -133.53 -92.69 131.09 14.34 85.57 0.09 10.17 3.82 0.26 0.02 0.06 0.00 85.39 0.29 9 V C E 43.80 10.79 14.63 26.93 122.82 -162.97 -112.99 147.22 54.64 44.54 0.82 42.94 9.76 1.72 0.19 0.61 0.00 43.38 1.39 10 Q C S 121.82 4.62 15.03 20.71 99.27 -135.72 -80.79 -14.87 87.65 10.14 2.21 21.92 53.57 12.63 0.34 1.71 0.01 8.61 1.21 11 N C S 94.94 3.52 13.54 18.14 116.49 57.26 -106.57 127.71 89.85 6.38 3.76 29.73 45.47 15.14 0.69 2.91 0.01 3.70 2.35 12 I C T 106.25 6.52 10.68 18.50 102.45 -97.37 -72.09 6.17 91.04 2.71 6.24 8.00 18.57 64.23 1.20 5.16 0.01 1.73 1.11 13 N C T 120.71 2.45 13.40 16.79 100.70 37.01 -79.94 26.86 92.30 3.56 4.14 12.19 17.27 62.80 0.72 3.55 0.00 2.65 0.81 14 S C C 52.20 7.91 10.40 19.83 115.26 127.90 -90.98 136.77 79.10 13.01 7.88 49.45 19.16 10.60 2.04 6.26 0.01 8.42 4.06 15 E C C 127.49 4.58 12.28 18.63 111.37 -148.33 -94.24 115.70 73.87 19.03 7.10 44.08 19.66 10.98 2.09 5.13 0.04 13.53 4.51 16 R C C 129.61 6.47 12.68 20.81 119.66 115.75 -106.32 139.80 75.09 19.48 5.43 41.74 26.27 8.06 1.33 3.82 0.01 16.90 1.88 17 E C C 132.52 3.40 16.69 21.40 115.27 -116.02 -85.19 139.88 73.41 23.83 2.76 54.89 12.04 5.87 0.67 1.94 0.00 23.42 1.18 18 G C E 27.04 16.05 10.52 25.50 128.34 -149.26 -106.06 163.62 53.21 46.16 0.64 40.15 10.29 2.32 0.13 0.48 0.00 45.88 0.75 19 T E E 65.37 7.30 19.11 27.41 123.63 -130.59 -114.41 141.50 8.10 91.78 0.12 7.25 0.66 0.12 0.04 0.06 0.00 91.48 0.39 20 Q E E 102.26 9.34 17.23 27.64 117.72 -130.26 -92.00 132.96 2.19 97.79 0.02 2.11 0.08 0.01 0.01 0.01 0.00 97.68 0.11 21 I E E 29.61 16.75 14.75 32.05 126.34 -172.01 -123.46 141.62 1.78 98.20 0.01 1.79 0.04 0.00 0.01 0.00 0.00 98.09 0.07 22 E E E 114.64 5.85 21.28 28.49 122.09 -153.28 -112.84 135.00 3.64 96.33 0.03 3.47 0.14 0.02 0.01 0.01 0.00 96.12 0.22 23 A E E 15.27 18.29 11.40 29.66 130.92 -170.05 -130.18 154.85 33.79 66.08 0.13 32.62 1.02 0.11 0.05 0.06 0.00 65.01 1.12 24 T C S 106.34 2.16 19.47 21.69 96.11 -145.05 -87.56 -19.13 98.67 1.31 0.02 5.77 92.82 0.33 0.00 0.01 0.00 1.02 0.05 25 S C S 49.08 3.71 22.78 26.17 137.52 12.94 -146.01 161.58 95.50 4.01 0.49 19.46 76.57 0.51 0.37 0.09 0.00 1.28 1.73 26 L H H 50.37 18.11 13.39 30.97 91.39 -108.37 -60.21 -36.81 2.68 0.01 97.31 0.45 0.50 1.61 96.30 1.13 0.00 0.00 0.00 27 S H H 66.62 2.95 21.95 24.55 91.63 55.55 -63.16 -41.40 1.40 0.00 98.60 0.18 0.13 0.96 97.59 1.13 0.00 0.00 0.00 28 Q H H 72.00 5.05 21.59 27.03 91.52 49.94 -65.17 -40.07 0.52 0.00 99.48 0.10 0.05 0.31 98.44 1.10 0.00 0.00 0.00 29 A H H 3.56 23.07 14.29 37.85 91.15 52.32 -62.90 -43.30 0.27 0.00 99.73 0.06 0.02 0.13 99.63 0.15 0.00 0.00 0.00 30 K H H 82.31 13.28 21.11 33.64 91.53 51.35 -63.15 -41.61 0.50 0.00 99.49 0.10 0.03 0.27 99.50 0.10 0.00 0.00 0.00 31 R H H 134.66 2.00 24.96 25.27 91.84 50.00 -64.30 -42.11 0.81 0.01 99.18 0.15 0.06 0.49 99.15 0.14 0.00 0.01 0.00 32 I H H 43.38 10.68 21.18 32.67 91.95 48.05 -64.95 -42.28 1.05 0.02 98.93 0.22 0.09 0.61 98.85 0.22 0.00 0.01 0.00 33 A H H 6.21 21.38 14.74 36.33 91.80 50.85 -64.10 -41.67 2.49 0.03 97.48 0.55 0.22 1.50 97.25 0.46 0.00 0.01 0.01 34 S H H 54.80 7.31 18.95 27.03 92.36 52.50 -66.54 -34.59 8.73 0.05 91.22 1.27 0.69 6.42 90.53 1.03 0.01 0.02 0.02 35 K H H 134.02 2.64 19.26 21.91 93.21 52.25 -71.98 -28.36 18.32 0.09 81.60 1.65 1.67 14.78 80.30 1.50 0.03 0.03 0.04 36 E H H 89.50 10.48 15.62 26.31 98.60 42.73 -87.94 -7.01 37.75 0.29 61.95 4.49 5.39 27.63 60.07 2.08 0.06 0.11 0.17 37 Q C H 100.42 8.57 16.82 25.96 101.24 50.70 -68.12 40.43 64.85 2.06 33.09 21.69 15.74 28.05 28.95 3.60 0.07 0.93 0.97 38 C C C 56.83 11.37 16.33 27.89 107.92 133.15 -89.12 56.34 86.12 4.96 8.93 47.73 18.90 19.95 5.38 3.21 0.01 3.23 1.57 39 F C C 63.88 14.88 14.82 29.51 108.33 48.99 -108.92 59.13 85.63 9.48 4.89 61.41 13.46 10.50 2.20 2.62 0.00 6.14 3.68 40 H C T 126.15 5.62 17.37 24.67 110.78 -148.98 -71.48 128.32 87.36 10.16 2.48 9.20 10.93 68.05 0.75 1.49 0.02 6.73 2.82 41 G C T 46.46 3.96 20.11 24.63 95.86 16.76 84.50 -3.27 95.92 3.35 0.73 6.54 16.16 73.30 0.08 0.64 0.00 2.99 0.28 42 T C C 19.99 18.16 13.77 32.15 123.77 127.30 -92.88 152.82 76.21 23.46 0.33 59.15 14.61 1.53 0.06 0.33 0.00 23.25 1.09 43 V E E 50.61 9.13 25.00 35.00 117.57 -133.94 -104.85 129.54 15.45 84.50 0.05 13.45 1.40 0.15 0.01 0.04 0.00 84.45 0.51 44 M E E 6.13 25.45 17.35 43.47 121.39 -162.73 -111.01 132.88 2.83 97.17 0.00 2.54 0.09 0.00 0.00 0.00 0.00 97.33 0.03 45 R E E 65.08 11.23 27.02 38.77 122.73 -165.44 -116.88 133.57 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 46 I E E 8.59 23.41 18.92 42.83 119.05 -157.16 -110.04 127.53 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 47 E E E 41.43 10.53 21.66 33.33 131.44 -171.87 -126.99 151.83 0.77 99.23 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.25 0.03 48 T E E 34.22 11.86 15.11 28.10 123.26 -128.73 -85.94 167.77 34.50 65.43 0.07 33.25 0.80 0.11 0.01 0.04 0.00 65.08 0.71 49 V C T 104.59 6.18 13.55 21.00 92.31 -98.70 -64.56 -23.31 96.27 2.77 0.97 0.75 3.74 92.28 0.02 0.86 0.00 2.15 0.19 50 N C T 121.06 1.34 15.20 15.89 93.66 55.41 -86.60 2.26 98.82 0.28 0.90 0.53 3.52 94.80 0.02 0.91 0.00 0.18 0.05 51 G C S 36.43 7.38 13.61 22.40 99.52 -100.53 90.45 5.02 98.04 0.93 1.03 14.15 78.16 5.77 0.07 1.02 0.00 0.61 0.22 52 L C C 69.28 6.92 17.20 25.55 116.74 133.12 -83.56 140.41 72.29 27.65 0.06 69.43 2.54 0.22 0.01 0.04 0.00 26.61 1.15 53 W E E 60.62 16.91 15.90 33.00 114.28 -129.42 -93.11 126.92 1.35 98.65 0.00 1.27 0.09 0.01 0.00 0.00 0.00 98.40 0.22 54 L E E 41.96 12.39 22.18 34.99 108.30 173.05 -105.56 -8.38 0.53 99.47 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 55 A E E 12.02 18.95 18.96 37.97 138.26 -2.61 -147.68 154.45 0.36 99.64 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 56 Y E E 61.06 11.98 21.60 34.41 127.54 -160.87 -128.90 140.99 0.50 99.50 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.54 0.02 57 K E E 54.85 13.71 14.91 29.60 116.72 -137.30 -100.54 129.48 5.55 94.42 0.04 5.06 0.26 0.04 0.01 0.02 0.00 94.38 0.23 58 E C E 91.23 7.01 14.14 22.62 114.28 -171.32 -105.11 124.40 52.45 45.12 2.43 23.18 15.15 15.89 0.26 2.13 0.00 42.56 0.84 59 D C T 110.57 2.21 14.01 16.62 100.95 -12.54 -61.92 57.49 81.05 15.59 3.37 7.03 21.68 52.34 0.17 3.57 0.00 14.06 1.15 60 G C T 50.80 4.36 11.98 17.49 97.83 -57.89 80.31 -0.45 95.65 0.70 3.65 5.38 25.90 63.74 0.17 4.14 0.00 0.46 0.21 61 K C S 143.45 3.09 13.13 17.28 104.77 81.52 -95.39 -3.61 95.77 2.38 1.85 11.32 46.39 38.15 0.11 1.89 0.00 1.71 0.44 62 R C C 146.69 2.56 15.76 19.16 122.17 57.97 -111.10 140.01 60.17 39.53 0.29 40.06 18.43 2.35 0.05 0.31 0.00 37.13 1.67 63 W E E 84.72 15.98 9.70 25.28 119.20 -138.49 -96.49 135.45 30.60 69.37 0.03 28.35 1.18 0.11 0.00 0.02 0.00 69.88 0.45 64 V E E 71.98 5.83 17.84 25.09 123.44 -166.72 -120.22 136.79 3.68 96.30 0.02 3.35 0.27 0.04 0.01 0.01 0.00 95.82 0.50 65 D E E 85.00 8.07 13.92 23.32 111.85 -117.02 -78.16 127.93 7.72 92.22 0.06 7.05 0.55 0.11 0.02 0.03 0.00 91.68 0.55 66 C C C 55.24 10.52 10.61 22.08 111.45 -167.03 -100.95 109.45 78.64 20.97 0.38 76.32 0.73 0.63 0.11 0.22 0.00 21.20 0.79 67 Q C C 140.09 2.26 15.87 18.73 102.28 -131.38 -74.04 57.85 99.72 0.27 0.02 99.54 0.16 0.09 0.00 0.00 0.00 0.19 0.01