# 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 92.18 10.03 9.83 20.60 115.31 -133.98 -86.19 140.76 99.85 0.12 0.02 99.79 0.10 0.03 0.01 0.00 0.00 0.04 0.02 1 K C C 137.52 2.73 10.82 15.16 114.67 -119.02 -82.52 137.03 93.80 3.52 2.68 91.71 0.98 1.80 1.19 0.74 0.00 1.23 2.35 2 Q C T 148.03 1.57 9.77 12.89 110.74 -103.04 -67.15 134.70 87.51 3.24 9.26 14.77 13.09 59.33 2.06 7.07 0.01 1.68 1.99 3 G C T 62.84 1.03 11.57 12.77 97.73 17.13 82.06 -2.38 91.87 0.92 7.20 9.68 14.85 67.03 1.03 6.40 0.00 0.54 0.47 4 I C S 94.77 5.47 9.97 17.11 99.99 86.45 -86.84 -25.43 84.34 6.72 8.94 24.39 31.76 28.74 1.71 6.66 0.03 2.98 3.73 5 H C C 86.76 8.61 9.47 19.45 119.33 46.77 -113.89 129.56 88.92 8.30 2.78 46.23 38.36 4.53 0.63 2.25 0.00 4.56 3.42 6 P C T 76.08 5.35 13.00 19.96 112.39 -111.46 -69.00 152.82 92.71 3.34 3.95 33.82 15.93 42.39 0.30 4.52 0.00 2.54 0.50 7 D C T 101.40 3.58 15.51 20.05 109.38 -98.26 -78.69 122.56 84.01 11.47 4.52 32.73 13.71 36.86 0.28 5.15 0.00 10.62 0.64 8 Y E E 91.67 13.79 10.10 23.63 125.46 33.47 -110.98 143.76 42.08 57.64 0.28 36.96 4.45 0.45 0.07 0.24 0.00 55.52 2.31 9 R E E 113.80 5.97 16.72 24.10 125.10 -162.15 -120.25 141.52 14.10 85.86 0.05 12.68 0.99 0.10 0.01 0.03 0.00 85.71 0.48 10 E E E 119.66 5.87 16.47 23.99 113.57 -116.88 -81.28 132.70 9.57 90.42 0.01 8.83 0.39 0.03 0.00 0.01 0.00 90.64 0.10 11 T E E 24.61 14.93 12.48 28.31 132.74 172.01 -134.44 156.11 5.26 94.73 0.00 4.93 0.14 0.01 0.00 0.00 0.00 94.88 0.04 12 T E E 64.54 6.09 20.77 27.79 118.01 -130.24 -104.71 130.51 0.68 99.32 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 13 V E E 16.00 19.37 13.55 33.30 124.24 -170.25 -118.55 136.97 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 14 V E E 61.64 5.91 20.99 27.95 116.07 -149.79 -108.00 124.24 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.64 0.04 15 C E E 17.03 17.26 10.68 28.09 123.24 -154.57 -89.18 163.36 46.36 53.61 0.03 45.68 0.62 0.05 0.00 0.02 0.00 52.80 0.83 16 T C T 92.19 4.86 15.35 21.53 91.42 -105.25 -64.93 -21.59 99.22 0.42 0.35 0.41 5.50 93.40 0.01 0.32 0.00 0.31 0.04 17 C C T 77.20 4.50 13.73 19.61 92.79 57.08 -86.79 -0.88 99.55 0.16 0.29 0.28 5.77 93.55 0.01 0.27 0.00 0.09 0.02 18 G C S 52.13 2.27 15.27 18.04 97.44 -101.57 89.06 4.52 98.87 0.88 0.25 14.99 82.95 1.14 0.02 0.18 0.00 0.47 0.25 19 N C C 68.63 6.95 12.25 21.30 118.42 135.32 -77.95 145.04 96.50 3.48 0.02 95.84 0.99 0.08 0.00 0.01 0.00 2.83 0.26 20 T E E 80.45 7.26 14.05 23.58 126.24 -158.67 -125.00 140.15 1.07 98.93 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.82 0.13 21 F E E 64.27 12.35 14.12 27.68 130.36 -175.38 -132.62 147.83 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 22 T E E 77.04 6.63 18.40 26.39 120.24 -142.79 -108.86 134.31 0.20 99.80 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 23 T E E 32.07 16.38 13.55 30.14 129.75 -175.51 -131.33 149.64 1.23 98.77 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.85 0.02 24 R E E 129.45 5.40 20.85 27.41 122.86 -152.92 -115.24 138.04 4.45 95.54 0.01 3.99 0.22 0.02 0.00 0.00 0.00 95.69 0.08 25 S E E 22.14 17.32 11.95 29.05 126.22 -151.09 -109.87 149.80 15.21 84.73 0.06 14.41 0.63 0.07 0.02 0.03 0.00 83.59 1.25 26 T C C 77.91 5.11 17.76 23.76 99.17 -145.92 -91.60 -8.90 65.34 34.01 0.65 40.60 23.76 2.73 0.15 0.56 0.00 30.12 2.08 27 S C S 50.05 7.92 11.59 20.99 117.98 83.49 -92.22 150.37 83.35 9.59 7.06 13.52 38.36 33.11 0.92 5.32 0.03 6.81 1.93 28 Q C T 149.63 1.54 14.17 16.20 96.44 -120.65 -72.80 -22.55 91.24 2.03 6.73 10.43 24.50 56.37 0.71 6.03 0.00 1.28 0.68 29 S C T 86.46 1.71 14.65 16.45 115.28 36.52 -116.07 123.17 91.12 2.37 6.51 17.43 23.62 50.02 0.70 6.09 0.00 1.54 0.61 30 G C C 33.58 7.50 12.90 21.67 122.59 47.30 115.48 -172.64 89.19 9.27 1.54 54.70 27.24 7.35 0.19 1.62 0.00 7.86 1.04 31 T E E 84.34 5.25 16.53 23.32 123.85 -86.52 -115.81 139.23 45.00 54.83 0.18 40.91 3.18 0.40 0.03 0.14 0.00 53.90 1.43 32 L E E 49.81 16.02 12.04 28.13 122.24 -164.39 -117.35 132.06 6.95 93.03 0.02 6.51 0.39 0.03 0.01 0.01 0.00 92.46 0.59 33 N E E 101.78 4.16 19.95 25.28 118.08 -162.25 -108.37 127.97 3.07 96.91 0.02 2.94 0.14 0.02 0.01 0.01 0.00 96.20 0.68 34 A E E 31.41 17.03 11.06 27.60 123.76 -164.71 -118.90 140.08 27.68 72.15 0.16 26.07 1.25 0.17 0.05 0.09 0.00 71.55 0.83 35 D C S 97.19 3.73 19.35 23.40 106.73 -152.18 -90.90 68.95 71.17 28.63 0.21 32.86 36.63 1.63 0.03 0.19 0.00 27.89 0.76 36 V C C 60.24 10.85 14.13 25.90 124.54 44.96 -116.41 142.63 69.42 30.00 0.58 48.16 21.02 1.00 0.25 0.42 0.00 18.89 10.26 37 C C C 39.54 9.55 14.38 25.66 119.52 -138.77 -98.69 143.10 93.10 6.59 0.30 91.66 1.81 0.29 0.10 0.15 0.00 3.76 2.22 38 S C T 65.88 6.92 14.07 22.48 92.03 -122.73 -63.71 -26.61 70.65 0.83 28.51 3.80 6.62 57.75 1.55 29.39 0.00 0.45 0.42 39 K C T 146.34 2.22 16.56 19.27 91.52 63.48 -70.89 -22.94 74.95 0.21 24.84 0.78 3.66 70.09 1.14 24.11 0.00 0.11 0.10 40 C C T 55.74 8.68 13.13 23.23 99.62 40.62 -101.73 -4.56 72.54 0.62 26.84 2.93 7.35 59.80 1.79 27.46 0.00 0.33 0.34 41 H C C 52.03 11.96 10.00 23.12 115.49 101.61 -84.81 132.41 96.54 1.66 1.80 66.20 29.03 0.79 1.33 0.44 0.00 0.37 1.84 42 P H G 84.03 4.14 14.05 19.77 93.05 -142.97 -62.56 -26.66 41.50 0.19 58.31 2.20 2.89 34.75 18.49 41.41 0.01 0.10 0.14 43 F H G 126.75 4.33 13.01 18.50 93.35 61.05 -75.65 -19.99 40.25 0.40 59.35 1.88 3.09 33.50 20.33 40.61 0.05 0.22 0.31 44 Y H G 111.53 7.62 10.04 18.95 100.18 53.03 -89.63 -4.29 36.53 2.47 61.00 7.32 6.81 21.55 21.25 40.25 0.25 1.39 1.18 45 T C T 84.20 3.76 10.86 16.04 100.07 61.48 -89.61 -4.50 61.65 5.14 33.21 17.87 15.87 28.92 19.56 11.96 0.35 2.37 3.10 46 G C T 57.92 2.01 10.84 14.09 99.63 -109.32 76.88 2.81 87.56 2.16 10.28 24.09 25.27 39.05 4.00 5.44 0.01 1.10 1.04 47 K C C 156.12 1.32 10.78 12.65 104.84 95.42 -93.08 27.90 88.29 3.88 7.83 41.56 28.28 18.80 2.80 4.92 0.00 2.30 1.34 48 Q C C 122.90 3.98 8.70 14.78 114.85 82.13 -96.82 130.06 83.11 11.41 5.48 60.69 16.61 6.02 2.24 3.37 0.00 9.04 2.03 49 K C C 148.08 2.22 10.65 14.69 119.77 -162.11 -111.04 138.83 75.97 20.76 3.26 67.70 6.06 1.91 1.84 1.53 0.00 17.64 3.33 50 I C C 113.17 5.12 8.90 15.97 114.31 -131.84 -90.60 128.83 65.06 31.87 3.07 57.63 4.97 1.44 2.20 1.17 0.00 24.79 7.80 51 L C C 113.65 3.64 10.11 15.60 111.97 -152.29 -92.69 127.27 74.78 20.66 4.56 59.52 11.38 3.40 2.87 1.96 0.00 16.88 3.99 52 D C C 99.12 4.02 9.72 15.51 109.36 -144.67 -96.09 104.43 85.47 9.60 4.92 70.80 9.60 4.77 2.79 2.12 0.00 7.94 1.98 53 A C C 77.24 3.60 9.90 15.29 100.46 168.12 -88.91 0.64 80.36 3.93 15.71 37.27 21.49 22.18 11.20 4.16 0.04 2.18 1.47 54 G C T 54.85 1.98 11.97 14.73 100.92 -53.61 -4.41 4.61 74.69 1.17 24.15 13.78 29.47 31.51 19.60 4.39 0.06 0.48 0.73 55 G C H 43.94 3.26 12.83 17.09 109.84 -2.40 72.06 -134.56 57.19 1.10 41.72 14.37 26.48 16.49 38.58 2.96 0.09 0.39 0.64 56 R H H 140.00 3.61 13.71 18.08 94.66 35.23 -67.90 -37.47 11.70 0.50 87.81 4.65 2.91 5.23 85.29 1.44 0.07 0.25 0.17 57 V H H 60.74 7.25 12.46 21.15 92.76 51.53 -65.58 -41.22 4.44 0.34 95.22 1.77 0.78 2.21 94.03 0.90 0.04 0.21 0.06 58 A H H 48.35 3.14 14.34 18.61 91.81 51.38 -64.09 -41.61 2.37 0.24 97.39 1.11 0.36 1.12 96.43 0.76 0.01 0.19 0.03 59 R H H 124.38 2.09 15.89 17.76 92.08 50.58 -64.83 -41.25 1.63 0.17 98.20 0.67 0.23 0.83 97.58 0.53 0.01 0.13 0.02 60 F H H 77.65 6.02 13.13 20.79 92.22 50.28 -64.93 -41.38 1.30 0.12 98.58 0.47 0.16 0.70 98.09 0.47 0.00 0.09 0.01 61 E H H 93.34 5.35 12.80 19.63 92.16 51.53 -64.65 -39.44 1.41 0.06 98.54 0.42 0.14 0.80 98.06 0.54 0.00 0.04 0.01 62 R H H 165.23 1.23 14.23 15.10 92.21 51.24 -66.50 -37.56 3.16 0.05 96.79 0.46 0.25 2.35 95.89 1.00 0.01 0.02 0.01 63 R H H 152.56 1.91 13.46 15.63 94.90 47.33 -72.60 -34.55 7.14 0.05 92.80 0.61 0.53 5.82 92.19 0.78 0.02 0.02 0.02 64 Y H H 124.57 5.21 10.89 17.46 102.08 33.82 -102.05 -7.43 26.55 0.48 72.97 4.32 5.07 18.02 70.88 1.14 0.11 0.15 0.31 65 G C T 39.77 5.32 9.95 16.78 111.90 102.30 -68.19 147.41 79.31 1.69 19.00 28.98 17.21 33.91 10.82 7.43 0.01 0.82 0.81 66 K C C 149.51 2.39 9.82 13.70 107.99 -86.26 -85.66 102.40 79.28 2.88 17.84 33.10 23.01 24.31 6.37 10.44 0.02 1.52 1.22 67 K C C 147.25 2.75 8.57 13.14 107.54 -152.30 -88.57 88.60 86.61 1.83 11.56 72.89 2.84 12.12 4.56 5.61 0.00 1.08 0.90 68 N C C 121.32 2.36 10.81 14.65 108.67 -143.95 -91.19 90.55 99.93 0.04 0.03 99.80 0.08 0.08 0.01 0.00 0.00 0.02 0.01