# 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 107.66 6.71 15.17 23.03 120.22 -160.07 -102.97 134.05 99.84 0.15 0.01 99.82 0.07 0.03 0.00 0.00 0.00 0.06 0.02 1 A C C 56.31 8.53 14.00 23.57 116.74 -124.35 -84.55 144.32 93.25 6.36 0.39 91.62 0.95 1.34 0.08 0.18 0.00 4.60 1.22 2 A C C 39.03 12.42 14.42 27.65 116.10 -148.75 -100.40 134.36 83.59 15.91 0.50 59.00 21.31 3.11 0.09 0.49 0.00 14.08 1.92 3 V E B 74.39 7.51 20.02 28.33 122.61 -142.88 -113.87 137.22 20.92 78.91 0.18 16.93 1.83 0.06 0.16 0.03 0.00 12.29 68.70 4 C C C 12.35 20.32 10.72 31.30 111.30 -114.92 -73.47 130.88 91.93 8.02 0.05 92.74 0.64 0.07 0.02 0.02 0.00 4.29 2.21 5 D C T 99.10 3.85 19.62 24.45 93.18 -143.82 -70.39 -24.75 99.64 0.23 0.13 0.75 7.94 90.98 0.01 0.11 0.00 0.14 0.07 6 I C T 75.11 10.27 16.61 27.34 101.35 41.45 -88.30 -41.75 99.81 0.10 0.08 0.11 2.99 96.77 0.00 0.05 0.00 0.04 0.05 7 C C T 51.02 9.47 15.30 25.93 101.66 18.32 -106.89 -14.03 99.80 0.09 0.10 0.32 4.31 95.23 0.00 0.07 0.00 0.04 0.02 8 G C C 41.93 5.07 17.24 23.53 96.31 -120.14 80.34 5.93 98.25 1.67 0.08 80.56 15.76 1.85 0.02 0.06 0.00 0.86 0.89 9 K C C 96.70 7.32 15.57 24.50 121.46 131.53 -85.64 148.03 82.41 17.49 0.10 75.19 6.56 0.23 0.04 0.05 0.00 6.55 11.37 10 G C C 27.83 8.56 17.80 27.19 136.75 -161.26 -139.41 171.45 56.91 43.01 0.08 50.24 6.83 0.22 0.04 0.06 0.00 31.39 11.22 11 P C C 67.70 11.10 15.14 26.63 115.34 -81.45 -70.24 148.27 65.61 34.32 0.07 57.94 5.54 0.39 0.01 0.07 0.00 34.85 1.19 12 G E E 29.42 8.14 17.01 26.26 137.84 171.07 -151.70 173.02 20.76 79.14 0.09 17.54 2.90 0.33 0.03 0.08 0.00 76.88 2.25 13 F E E 127.01 6.71 14.77 23.29 126.03 -107.77 -117.25 144.27 10.87 89.07 0.05 9.58 1.01 0.11 0.02 0.03 0.00 88.36 0.90 14 G E E 28.73 7.91 13.25 22.76 136.91 163.96 -149.84 173.52 11.01 88.91 0.08 8.70 2.11 0.23 0.02 0.06 0.00 88.52 0.37 15 K E E 132.67 4.07 13.78 19.66 121.16 -98.77 -113.22 140.54 9.89 90.03 0.09 8.35 1.29 0.17 0.02 0.05 0.00 89.73 0.39 16 S E E 53.56 8.03 10.72 20.28 123.33 -163.75 -117.39 148.11 10.87 88.98 0.15 9.21 1.38 0.25 0.04 0.09 0.00 88.66 0.38 17 V E E 93.33 3.75 10.50 16.22 118.19 -140.85 -107.28 130.73 14.13 85.62 0.25 12.28 1.49 0.28 0.12 0.14 0.00 83.15 2.54 18 S C C 48.48 5.56 7.93 15.50 123.10 -155.50 -95.11 167.03 52.55 46.92 0.52 47.77 2.96 0.83 0.10 0.37 0.00 47.06 0.91 19 H C T 171.83 0.72 8.95 9.84 93.89 -91.96 -66.70 -19.47 78.80 15.26 5.94 15.90 14.66 48.02 0.37 6.21 0.00 14.00 0.85 20 S C T 87.81 0.91 8.89 9.89 97.44 53.31 -90.21 5.92 94.43 0.91 4.66 15.66 15.36 62.43 0.29 5.42 0.00 0.62 0.22 21 H C T 154.40 1.99 8.80 12.38 95.66 -107.33 68.76 23.61 91.46 3.96 4.58 29.53 29.90 31.74 0.33 4.96 0.00 2.91 0.62 22 R C C 147.06 1.80 9.72 13.02 118.55 142.19 -93.13 140.44 60.20 39.41 0.38 50.04 5.80 2.37 0.07 0.33 0.00 40.22 1.18 23 R E E 157.87 3.76 9.05 15.11 116.01 -125.33 -87.07 134.28 14.10 85.81 0.09 12.69 0.98 0.17 0.04 0.06 0.00 82.73 3.34 24 T E E 62.73 5.49 10.59 18.20 127.15 -176.70 -125.46 150.99 14.28 85.69 0.03 12.90 0.84 0.07 0.01 0.01 0.00 85.72 0.46 25 S E E 82.55 2.96 12.13 16.76 114.33 -112.76 -80.82 134.20 18.11 81.87 0.02 15.37 1.57 0.07 0.00 0.01 0.00 82.81 0.16 26 R E E 109.79 7.73 11.23 20.71 126.50 -176.34 -125.11 144.28 14.08 85.90 0.01 12.70 0.78 0.03 0.00 0.01 0.00 86.27 0.20 27 R E E 140.07 5.06 13.76 20.82 118.46 -146.09 -106.32 131.85 4.89 95.10 0.01 4.47 0.32 0.02 0.00 0.00 0.00 94.66 0.51 28 W E E 86.77 12.00 11.95 24.94 122.26 -166.81 -115.92 138.31 10.20 89.78 0.02 9.37 0.61 0.03 0.01 0.01 0.00 86.06 3.91 29 N C C 90.74 5.46 18.03 24.61 111.03 -153.00 -107.72 108.40 72.11 27.86 0.02 68.62 2.25 0.08 0.00 0.02 0.00 28.61 0.41 30 P C C 42.13 15.06 13.47 28.58 111.64 -149.46 -73.86 148.33 81.11 18.52 0.37 45.72 23.26 10.76 0.02 0.54 0.00 19.30 0.39 31 N C E 69.64 7.59 18.47 26.93 105.35 -123.96 -84.85 71.68 62.11 37.58 0.31 32.97 18.12 9.80 0.01 0.47 0.00 38.08 0.54 32 I E E 55.55 14.77 13.63 28.70 118.87 118.66 -104.69 131.32 17.87 82.11 0.02 16.79 0.93 0.04 0.00 0.01 0.00 81.08 1.15 33 Q E E 68.90 8.61 17.88 27.83 125.13 -173.00 -122.44 140.08 6.76 93.24 0.00 6.24 0.20 0.01 0.00 0.00 0.00 93.48 0.07 34 P E E 72.16 8.20 17.39 26.56 115.47 -122.26 -80.13 137.07 2.16 97.84 0.00 1.96 0.06 0.00 0.00 0.00 0.00 97.95 0.03 35 V E E 29.00 14.34 13.45 29.05 129.81 -175.52 -132.03 146.51 3.03 96.97 0.00 2.68 0.16 0.00 0.00 0.00 0.00 97.10 0.04 36 R E E 132.17 5.23 18.73 25.02 116.97 -131.89 -97.57 130.20 1.60 98.39 0.00 1.40 0.09 0.00 0.00 0.00 0.00 98.44 0.06 37 A E E 18.67 15.42 12.32 28.55 129.77 -175.73 -128.13 151.25 2.60 97.40 0.00 2.37 0.10 0.00 0.00 0.00 0.00 97.46 0.06 38 V E E 72.67 5.39 16.53 23.36 115.34 -120.35 -94.35 127.98 5.72 94.27 0.01 5.17 0.36 0.03 0.00 0.01 0.00 93.99 0.44 39 T C E 53.25 10.28 10.37 21.76 110.77 -160.44 -86.84 122.96 50.86 49.08 0.06 46.65 2.87 0.17 0.01 0.05 0.00 49.27 0.97 40 R C T 152.37 2.62 12.32 16.05 119.55 -56.87 -104.12 146.58 95.13 3.48 1.39 10.76 24.80 59.69 0.08 1.52 0.00 2.55 0.60 41 P C T 115.62 1.51 10.29 12.84 107.86 -57.10 -67.07 124.10 98.75 0.20 1.05 0.50 4.72 93.45 0.02 1.14 0.00 0.11 0.05 42 G C T 66.08 0.52 11.68 10.93 98.07 8.00 84.40 -1.83 98.99 0.16 0.85 0.84 4.66 93.34 0.02 1.01 0.00 0.10 0.03 43 G C C 40.16 5.48 8.33 15.54 118.97 116.40 -84.09 162.85 97.86 1.59 0.55 62.55 20.24 14.90 0.07 0.69 0.00 1.08 0.47 44 N C C 113.17 1.50 13.93 15.42 117.38 -109.78 -86.99 145.33 89.20 10.75 0.05 82.68 5.90 0.25 0.01 0.05 0.00 10.54 0.58 45 K E E 123.28 7.44 10.69 19.89 116.20 -112.97 -80.33 138.66 8.55 91.44 0.02 8.16 0.34 0.03 0.00 0.01 0.00 90.91 0.54 46 Q E E 81.20 7.34 14.09 23.14 126.46 -169.03 -125.15 145.32 1.37 98.62 0.00 1.23 0.06 0.00 0.00 0.00 0.00 98.70 0.01 47 R E E 141.34 6.47 15.34 23.81 118.42 -134.27 -101.18 132.24 0.47 99.53 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.01 48 I E E 33.82 15.15 14.97 30.97 129.93 -175.61 -130.89 148.00 1.32 98.67 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.77 0.01 49 N E E 70.16 9.03 22.70 32.19 115.84 -130.20 -93.19 132.74 2.28 97.72 0.00 1.75 0.24 0.00 0.00 0.00 0.00 97.97 0.02 50 A E E 7.53 21.54 16.85 38.25 134.98 174.03 -136.38 157.54 5.71 94.26 0.02 5.39 0.25 0.01 0.02 0.00 0.00 94.01 0.31 51 C E E 21.61 12.81 19.70 33.75 116.80 -104.61 -71.27 150.56 41.34 58.60 0.06 41.78 0.48 0.02 0.05 0.01 0.00 56.91 0.73 52 T H H 61.14 9.39 19.05 29.48 91.99 -116.48 -59.89 -35.73 4.52 0.03 95.45 0.55 0.65 3.22 92.55 3.01 0.01 0.02 0.01 53 S H H 61.91 3.33 22.55 25.50 91.73 55.76 -64.16 -39.40 2.21 0.03 97.76 0.21 0.19 1.72 94.38 3.47 0.01 0.02 0.00 54 C H H 14.53 16.47 15.69 32.94 92.08 50.32 -65.42 -41.41 1.40 0.04 98.56 0.21 0.13 0.99 94.73 3.88 0.00 0.03 0.00 55 I H H 36.26 17.59 14.30 31.42 92.10 50.66 -64.58 -41.73 2.99 0.10 96.91 0.56 0.32 2.07 94.53 2.40 0.02 0.08 0.02 56 K H H 148.11 2.04 18.51 20.65 90.74 52.50 -65.98 -30.15 17.96 0.24 81.81 1.46 1.35 15.05 80.36 1.48 0.08 0.12 0.09 57 A C H 64.13 4.33 15.38 20.71 92.64 56.22 -80.66 -11.77 51.35 0.31 48.34 2.64 4.51 41.91 49.17 1.42 0.05 0.13 0.17 58 G C T 45.79 6.30 15.10 22.73 96.54 -112.26 81.01 9.32 93.89 2.62 3.49 14.47 25.74 54.13 2.04 1.15 0.00 1.99 0.47 59 K C C 110.77 6.07 18.00 25.02 103.97 118.45 -96.80 44.50 75.56 22.74 1.70 58.72 9.60 5.92 0.63 1.02 0.00 23.07 1.06 60 V E E 38.15 18.96 10.77 28.70 122.07 119.95 -108.78 135.38 48.25 51.09 0.66 41.44 4.95 0.94 0.36 0.34 0.00 48.80 3.18 61 S E E 63.26 5.06 18.43 24.69 126.33 -170.84 -118.90 149.62 33.93 65.45 0.62 30.05 2.29 0.65 0.39 0.31 0.00 62.05 4.25 62 R C C 146.07 7.22 12.51 21.54 115.52 -123.01 -89.12 135.72 53.77 45.88 0.35 50.82 1.29 0.50 0.15 0.17 0.00 44.52 2.56 63 A C C 67.67 6.82 13.46 21.33 111.55 -116.25 -76.81 139.30 99.87 0.13 0.00 99.83 0.06 0.02 0.00 0.00 0.00 0.09 0.00