# 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 E C C 128.28 4.43 16.64 22.41 112.40 -143.51 -85.54 124.89 99.67 0.32 0.01 99.71 0.06 0.02 0.00 0.00 0.00 0.16 0.03 1 V C C 77.00 9.90 12.95 23.70 116.12 -158.26 -100.46 129.89 78.03 17.77 4.20 75.53 1.52 1.67 3.76 0.41 0.00 9.03 8.07 2 G C C 28.81 9.54 15.40 25.65 132.22 86.70 110.72 175.28 91.32 8.53 0.15 71.05 19.47 1.08 0.04 0.14 0.00 6.62 1.60 3 P C C 51.39 12.64 13.62 26.73 115.52 -63.34 -72.22 150.52 94.68 5.06 0.26 85.53 7.86 1.28 0.05 0.26 0.00 3.56 1.46 4 K C C 131.31 3.74 18.99 23.77 120.34 -123.90 -91.34 145.42 96.68 3.03 0.29 92.62 3.19 0.71 0.08 0.20 0.00 1.33 1.87 5 R C T 138.28 8.24 13.27 22.82 110.88 -92.80 -63.03 137.16 96.83 2.77 0.40 1.67 5.36 90.27 0.03 0.32 0.00 1.88 0.47 6 G C T 44.83 4.02 17.89 22.85 97.21 24.67 88.98 -6.25 98.26 1.59 0.15 2.21 5.94 90.17 0.01 0.17 0.00 1.43 0.07 7 S C C 31.98 10.98 14.34 27.07 118.54 134.08 -73.97 148.88 89.37 10.60 0.04 87.67 1.48 0.07 0.00 0.03 0.00 10.45 0.30 8 L E E 83.78 7.80 20.98 29.42 119.07 -127.96 -98.87 135.16 3.17 96.82 0.01 3.08 0.13 0.01 0.00 0.00 0.00 96.24 0.54 9 V E E 14.60 22.03 14.83 37.16 128.77 -170.81 -123.21 144.52 1.73 98.27 0.01 1.57 0.08 0.01 0.00 0.00 0.00 98.31 0.03 10 K E E 85.16 8.02 23.49 32.12 118.92 -138.63 -106.82 131.12 1.30 98.66 0.04 1.14 0.09 0.02 0.00 0.02 0.00 98.69 0.03 11 I E E 26.47 19.45 14.70 34.44 111.58 -136.55 -90.47 121.84 5.98 93.90 0.12 5.39 0.51 0.09 0.02 0.08 0.00 93.69 0.22 12 L C C 72.82 8.09 18.80 27.83 100.30 -174.46 -86.22 -26.49 59.61 40.18 0.21 43.05 14.69 0.95 0.03 0.22 0.00 40.47 0.60 13 R C C 88.85 8.51 14.87 24.65 116.67 42.99 -118.46 117.48 85.23 13.59 1.18 53.35 28.61 3.81 0.30 0.93 0.00 11.20 1.81 14 P C T 86.97 6.78 13.88 22.19 93.54 -149.05 -63.16 -27.02 87.84 2.10 10.06 14.78 17.48 54.94 1.16 9.58 0.00 1.37 0.68 15 E C T 136.82 2.39 16.25 18.74 93.86 57.65 -83.66 -5.59 86.39 1.58 12.03 11.38 17.98 56.33 1.53 11.10 0.00 0.94 0.73 16 S C C 26.92 13.74 11.04 25.49 110.84 90.41 -89.36 123.67 78.87 5.66 15.47 41.40 24.04 13.79 2.55 12.72 0.01 2.90 2.59 17 Y C T 119.09 7.85 17.13 26.16 96.09 -146.56 -70.23 -6.98 72.90 8.75 18.35 20.60 21.97 32.33 3.65 13.13 0.08 5.39 2.85 18 W C T 72.10 14.26 15.93 30.41 97.84 78.05 -81.01 -11.26 64.23 18.10 17.67 15.55 19.56 31.54 3.72 12.47 0.25 13.05 3.86 19 F C C 65.25 13.67 14.64 28.58 104.14 72.46 -88.18 69.08 55.64 25.48 18.88 29.91 13.53 14.43 4.40 13.44 0.12 19.91 4.26 20 N C C 102.72 5.39 18.94 25.04 98.49 45.21 -82.95 19.98 65.45 26.80 7.75 33.28 20.74 12.43 2.55 4.73 0.02 24.54 1.70 21 Q E E 79.27 8.35 17.52 26.88 126.96 99.82 -114.84 153.42 47.47 48.62 3.91 24.21 16.97 7.90 1.40 2.32 0.03 45.82 1.36 22 V E E 76.01 10.25 17.98 28.84 120.56 -123.55 -99.04 137.57 26.96 71.96 1.09 22.44 3.05 0.83 0.63 0.43 0.00 71.68 0.93 23 G E E 13.50 14.09 17.65 32.36 140.99 159.48 -153.21 175.93 10.65 88.70 0.64 8.27 1.68 0.51 0.40 0.23 0.00 88.46 0.44 24 K E E 96.95 7.26 23.38 31.31 123.89 -93.26 -114.30 141.81 5.29 93.97 0.73 4.19 0.50 0.16 0.65 0.16 0.00 94.04 0.30 25 V E E 26.91 20.52 14.57 34.75 110.26 -131.29 -83.07 124.85 5.97 90.74 3.30 4.39 0.82 0.39 2.14 1.11 0.00 90.95 0.20 26 V E E 53.56 9.57 20.03 30.29 120.47 -175.91 -120.96 146.53 6.81 89.84 3.35 4.76 1.27 0.61 2.13 1.07 0.00 89.91 0.26 27 S E E 45.47 9.08 19.41 29.34 127.04 -132.82 -125.65 147.85 7.81 89.30 2.90 5.98 1.08 0.51 1.75 0.84 0.00 89.52 0.31 28 V E E 49.22 13.25 12.64 26.66 122.53 -160.82 -120.05 135.14 16.47 80.85 2.68 13.86 2.12 0.82 2.18 0.76 0.00 78.44 1.82 29 D C C 73.40 5.99 12.77 20.49 114.06 -140.76 -92.25 126.49 54.51 43.22 2.27 47.15 4.24 1.65 1.06 1.00 0.00 43.76 1.14 30 Q C T 131.80 3.68 10.44 15.95 96.78 -159.77 -80.79 -8.37 63.04 30.17 6.79 19.81 17.83 28.36 1.54 4.63 0.06 25.44 2.35 31 S C T 89.12 1.17 11.59 12.86 96.03 54.67 -85.71 3.23 91.75 3.71 4.54 13.68 19.11 58.96 0.71 3.89 0.00 2.83 0.83 32 G C T 59.11 1.64 11.74 14.16 96.26 -96.56 82.00 4.89 95.99 1.85 2.16 19.01 32.43 44.27 0.17 2.37 0.00 1.38 0.37 33 V C C 68.75 6.32 8.96 17.41 117.59 127.88 -92.77 136.97 74.41 24.58 1.01 48.43 18.58 7.84 0.22 1.01 0.00 20.07 3.84 34 R C E 167.94 2.85 13.67 17.87 101.26 -145.19 -85.27 -6.81 54.64 44.79 0.56 34.09 19.32 3.27 0.17 0.54 0.00 35.47 7.13 35 Y C C 102.36 7.36 14.62 23.48 124.63 56.29 -120.69 139.53 64.80 35.08 0.12 36.66 27.85 1.11 0.02 0.12 0.00 32.93 1.30 36 P C C 62.78 9.03 17.02 26.91 114.54 -107.72 -70.54 145.29 60.74 39.20 0.06 50.89 7.22 0.35 0.01 0.06 0.00 40.96 0.51 37 V E E 23.41 17.84 15.04 33.20 124.30 -161.05 -120.17 137.14 7.39 92.58 0.03 6.57 0.70 0.06 0.01 0.02 0.00 92.00 0.64 38 V E E 57.24 9.28 22.16 32.27 116.93 -146.39 -104.85 125.90 2.66 97.32 0.02 2.36 0.25 0.02 0.00 0.01 0.00 97.15 0.20 39 V E E 16.42 20.64 16.32 37.05 120.56 -166.33 -112.67 129.48 7.41 92.53 0.06 6.59 0.59 0.07 0.02 0.03 0.00 92.48 0.23 40 R E E 103.39 7.58 22.51 30.66 119.44 -158.68 -108.07 130.00 24.34 75.48 0.18 21.24 2.14 0.28 0.05 0.11 0.00 75.49 0.69 41 F C C 31.81 19.10 11.63 30.38 116.49 -154.59 -99.01 127.86 63.58 35.38 1.04 58.99 2.84 0.84 0.29 0.70 0.00 34.37 1.97 42 E C S 126.17 3.55 18.06 22.30 100.67 -164.23 -81.49 -25.17 80.87 17.20 1.93 29.51 32.14 20.04 0.26 1.73 0.01 14.95 1.35 43 N C S 105.84 3.23 16.70 20.55 109.90 12.00 -115.99 95.16 80.61 17.49 1.91 24.20 35.22 22.08 0.21 1.87 0.00 14.55 1.87 44 Q C C 76.59 13.23 10.20 23.26 117.61 132.46 -100.42 133.65 74.31 23.15 2.54 52.60 15.06 6.36 0.61 2.26 0.01 18.66 4.44 45 N C C 109.21 3.18 15.13 19.35 107.53 -149.32 -105.27 89.93 77.99 20.44 1.57 56.21 13.69 7.51 0.31 1.54 0.00 17.20 3.53 46 Y C C 98.15 10.39 9.47 20.66 113.71 147.94 -110.40 106.98 66.77 30.32 2.91 45.69 14.25 6.37 0.93 2.30 0.02 19.15 11.29 47 A C T 88.54 2.16 12.56 16.06 109.69 -109.46 -72.41 123.62 82.64 14.13 3.23 14.66 15.50 52.88 0.73 2.48 0.02 10.66 3.07 48 G C T 63.54 1.10 14.13 14.87 96.72 7.39 79.73 1.84 89.53 8.21 2.26 12.98 23.08 53.57 0.31 1.96 0.00 7.04 1.06 49 V C C 60.17 10.70 9.22 20.91 120.20 117.44 -98.94 138.34 62.27 35.88 1.85 46.01 12.26 2.65 0.90 1.22 0.01 23.27 13.68 50 T C C 77.46 4.35 16.47 21.62 114.42 -138.42 -92.44 133.19 70.41 26.29 3.30 59.62 6.05 3.05 1.59 1.84 0.00 20.92 6.93 51 T C C 63.88 12.89 12.04 24.88 97.99 -138.14 -76.97 -11.98 63.19 10.02 26.79 29.29 14.24 22.15 6.33 18.56 0.10 6.38 2.93 52 N C T 104.84 4.74 16.83 22.53 97.42 69.73 -81.40 -8.66 64.37 5.78 29.85 17.22 16.82 32.00 7.73 20.37 0.17 3.40 2.28 53 N C C 84.17 7.31 17.00 25.17 100.85 59.69 -93.64 5.98 62.27 7.19 30.53 25.43 15.80 23.40 7.71 20.84 0.13 4.03 2.65 54 Y C C 49.93 17.83 12.72 30.23 121.72 88.88 -106.48 136.38 68.88 18.38 12.74 48.97 12.57 5.84 7.03 6.12 0.10 8.99 10.36 55 A C C 34.41 8.16 20.20 29.43 124.96 -161.94 -106.59 152.17 78.79 10.91 10.30 71.35 6.00 1.72 5.85 4.34 0.00 6.72 4.02 56 L H G 77.07 14.07 14.21 28.19 93.07 -115.36 -61.57 -30.86 7.57 1.00 91.43 1.71 1.29 4.57 2.89 88.48 0.00 1.04 0.04 57 D H G 115.46 1.77 19.63 21.06 91.97 62.03 -72.78 -14.22 7.69 1.31 91.00 1.34 1.19 5.04 2.61 88.34 0.00 1.44 0.04 58 E H G 64.11 11.83 15.59 28.31 95.78 60.44 -90.34 -5.16 9.43 1.43 89.14 2.35 1.70 4.99 1.63 87.73 0.00 1.57 0.03 59 V E E 24.78 21.32 10.85 31.37 119.04 91.10 -97.82 131.94 14.12 83.22 2.65 11.59 2.99 0.85 1.10 1.46 0.01 80.54 1.45 60 V E E 79.87 5.64 18.74 25.48 123.44 -167.15 -117.80 137.82 5.56 94.15 0.29 4.90 0.52 0.17 0.17 0.13 0.00 93.44 0.67 61 A E E 72.24 6.93 13.21 21.87 113.76 -115.20 -75.77 137.06 10.80 89.01 0.19 10.50 0.29 0.12 0.10 0.08 0.00 88.02 0.90 62 A C C 66.34 7.78 12.41 21.31 111.88 -133.78 -82.15 135.29 99.39 0.60 0.00 99.47 0.04 0.01 0.00 0.00 0.00 0.46 0.01