# 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 111.68 5.89 11.33 18.81 115.93 -161.84 -98.54 130.91 99.91 0.08 0.02 99.86 0.06 0.03 0.00 0.00 0.00 0.03 0.01 1 E C C 123.98 4.05 9.77 15.68 113.77 -150.56 -93.63 133.16 86.22 2.50 11.29 77.23 1.92 8.31 2.65 7.38 0.00 1.59 0.93 2 E C C 138.18 2.91 9.79 14.47 108.27 -147.16 -88.68 107.52 80.49 3.34 16.17 41.36 20.74 18.80 2.47 13.53 0.00 1.96 1.12 3 Q C C 116.34 4.61 10.76 17.10 112.09 -151.57 -91.83 125.37 80.41 3.97 15.63 44.12 23.62 13.11 2.38 13.13 0.00 2.52 1.11 4 Q C C 107.46 5.43 13.51 20.29 111.68 -121.46 -85.26 132.65 86.85 8.03 5.11 65.66 15.58 5.61 1.22 3.91 0.00 6.82 1.20 5 E C C 86.27 12.05 13.13 25.48 119.43 -133.94 -95.43 137.04 73.33 25.49 1.18 60.93 8.62 2.59 0.25 0.91 0.00 25.33 1.35 6 F E E 69.24 12.37 18.47 31.40 128.16 -171.06 -125.53 143.78 29.21 70.58 0.21 26.17 2.42 0.33 0.07 0.14 0.00 69.28 1.58 7 F E E 76.68 12.01 21.68 33.77 117.05 -122.54 -91.76 136.21 17.89 82.07 0.04 15.93 1.30 0.12 0.01 0.03 0.00 82.19 0.41 8 G E E 4.81 21.96 16.77 38.52 134.17 -168.03 -128.91 163.18 8.27 91.72 0.01 6.68 1.04 0.07 0.00 0.01 0.00 92.13 0.08 9 E E E 80.96 7.33 25.46 33.52 121.80 -124.22 -112.87 135.82 1.55 98.44 0.00 1.36 0.06 0.00 0.00 0.00 0.00 98.55 0.03 10 V E E 22.26 21.46 13.75 35.41 109.36 -116.97 -74.99 124.14 0.59 99.41 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 11 T E E 65.56 5.71 20.41 27.14 100.63 174.87 -97.08 -32.47 1.77 98.23 0.00 1.20 0.29 0.01 0.00 0.00 0.00 98.50 0.00 12 H E E 100.21 3.67 22.41 26.50 136.88 -0.99 -149.87 149.27 0.64 99.36 0.00 0.43 0.07 0.00 0.00 0.00 0.00 99.49 0.00 13 V E E 61.09 16.01 12.56 28.14 113.78 -135.85 -98.62 122.62 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 14 L E E 81.63 6.58 16.70 24.58 101.96 -175.81 -93.85 -19.41 1.67 98.33 0.00 1.27 0.21 0.03 0.00 0.00 0.00 98.48 0.01 15 G E E 32.88 4.94 17.69 23.81 138.64 -44.48 157.95 -175.32 3.23 96.77 0.00 2.15 0.74 0.07 0.00 0.00 0.00 97.00 0.03 16 R E E 137.05 6.59 12.58 21.19 124.74 -92.18 -118.68 144.34 7.19 92.79 0.02 6.55 0.42 0.03 0.00 0.01 0.00 92.37 0.61 17 T E E 77.56 5.80 10.41 18.04 118.87 -150.49 -105.20 142.45 36.93 62.82 0.25 31.74 4.18 0.57 0.07 0.20 0.00 60.65 2.59 18 G C T 51.51 2.36 11.02 14.64 116.77 -4.12 87.32 -161.59 85.81 4.91 9.28 13.53 29.50 42.29 0.48 9.73 0.00 3.62 0.85 19 G C T 68.01 0.56 10.27 10.25 96.80 -47.65 -67.83 -19.86 86.29 0.71 13.00 3.06 17.81 62.90 0.44 15.05 0.00 0.40 0.34 20 S C T 90.27 1.31 10.37 12.15 99.24 52.57 -90.56 0.66 85.87 0.53 13.60 2.77 12.27 67.73 0.41 16.25 0.00 0.30 0.27 21 G C T 43.88 4.74 10.94 17.22 101.18 -108.19 81.50 4.53 89.48 2.36 8.16 23.80 27.72 37.18 0.52 8.69 0.00 1.44 0.66 22 L C C 93.30 4.76 14.01 20.06 110.66 131.43 -82.82 132.70 75.07 24.12 0.81 59.53 10.84 3.87 0.19 0.70 0.00 22.45 2.43 23 L E E 52.96 11.67 13.47 26.25 122.70 -134.05 -108.42 142.73 27.09 72.86 0.05 25.04 1.33 0.10 0.01 0.03 0.00 72.48 1.00 24 T E E 33.41 12.48 17.39 31.12 121.25 -152.91 -109.71 139.13 6.12 93.86 0.02 5.54 0.23 0.02 0.01 0.01 0.00 94.12 0.08 25 Q E E 60.77 11.15 20.34 32.13 119.84 -138.71 -101.91 136.78 1.14 98.85 0.00 0.96 0.05 0.00 0.00 0.00 0.00 98.97 0.02 26 V E E 10.70 20.11 16.25 37.00 123.70 -164.16 -118.18 137.84 0.87 99.13 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.21 0.01 27 K E E 65.04 8.99 23.32 33.14 118.55 -146.26 -104.25 131.64 0.53 99.47 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.52 0.01 28 M E E 15.16 20.61 15.55 36.34 123.07 -167.57 -116.94 135.21 1.59 98.39 0.01 1.35 0.08 0.01 0.00 0.00 0.00 98.52 0.03 29 E E E 68.24 7.15 20.65 29.03 118.59 -152.59 -109.49 128.85 2.86 97.08 0.05 2.42 0.19 0.04 0.01 0.02 0.00 97.26 0.07 30 L E E 35.25 13.07 12.12 26.85 112.33 -142.13 -91.36 121.55 14.70 84.89 0.41 11.87 1.82 0.61 0.11 0.22 0.00 84.99 0.38 31 M C E 94.00 5.93 13.00 20.57 108.03 -166.09 -83.45 27.95 61.43 35.60 2.97 29.22 12.69 18.81 0.42 2.30 0.00 35.81 0.76 32 H C T 153.69 1.44 12.53 14.03 99.40 12.84 -77.43 -7.27 87.56 8.82 3.62 26.03 18.93 42.61 0.59 2.88 0.00 8.20 0.75 33 N C C 100.86 3.28 10.52 15.21 106.59 37.87 -104.93 39.32 94.54 3.12 2.35 40.67 18.24 35.62 0.31 2.18 0.00 2.58 0.40 34 K C C 156.69 2.47 11.78 15.79 99.02 -127.46 -28.23 28.82 82.13 17.14 0.73 55.57 12.28 12.50 0.11 0.68 0.00 18.35 0.51 35 R E E 119.29 5.47 12.00 19.41 120.29 125.43 -105.16 140.23 42.66 57.17 0.16 36.91 2.94 0.59 0.03 0.13 0.00 59.03 0.39 36 T E E 70.20 9.35 13.00 23.64 123.02 -159.75 -116.96 136.44 8.61 91.36 0.03 7.68 0.46 0.05 0.01 0.01 0.00 91.63 0.16 37 I E E 52.66 10.96 14.93 27.62 121.97 -164.49 -117.85 133.51 1.43 98.56 0.01 1.30 0.07 0.01 0.00 0.00 0.00 98.58 0.03 38 Q E E 92.32 9.89 16.67 27.68 122.21 -163.05 -115.34 132.84 0.89 99.10 0.01 0.83 0.04 0.00 0.00 0.00 0.00 99.11 0.02 39 R E E 85.68 10.70 17.53 29.18 131.62 176.68 -138.06 147.41 2.19 97.79 0.01 1.97 0.11 0.01 0.00 0.00 0.00 97.87 0.02 40 A E E 58.12 6.92 20.14 27.73 113.49 -116.55 -79.00 132.51 4.49 95.48 0.03 4.02 0.27 0.03 0.01 0.01 0.00 95.54 0.13 41 V E E 20.87 20.67 10.63 30.58 119.82 -157.18 -104.32 133.92 15.38 84.56 0.06 15.16 0.47 0.05 0.03 0.03 0.00 82.30 1.95 42 K C C 148.05 2.33 19.65 21.92 101.23 -161.13 -93.66 -1.53 67.47 32.45 0.08 37.34 29.98 0.97 0.01 0.08 0.00 30.63 0.99 43 G C S 31.69 3.80 21.09 24.90 140.06 -5.82 156.73 -177.65 88.83 11.14 0.03 4.96 82.39 1.08 0.00 0.02 0.00 11.30 0.25 44 P C C 81.93 5.71 19.60 26.02 114.47 -44.89 -67.40 143.39 89.62 10.34 0.04 79.71 8.83 0.44 0.01 0.05 0.00 10.31 0.64 45 V C C 19.25 22.55 10.58 32.33 120.52 -149.64 -109.37 135.56 69.62 30.27 0.11 70.17 1.87 0.12 0.06 0.05 0.00 12.90 14.82 46 A C C 55.43 4.20 23.29 27.27 129.54 -168.27 -117.29 160.67 80.46 19.41 0.13 79.22 2.64 0.24 0.06 0.07 0.00 8.28 9.49 47 V C T 96.77 7.57 14.53 23.56 109.24 -76.73 -59.04 133.06 97.48 1.49 1.03 0.62 2.84 94.50 0.19 0.62 0.00 0.88 0.35 48 G C T 50.11 2.87 18.46 21.85 96.11 23.81 88.84 -5.77 98.24 0.54 1.23 0.99 3.34 94.02 0.25 0.89 0.00 0.45 0.06 49 D C C 46.58 12.15 14.38 27.63 117.58 130.57 -74.65 147.64 91.09 7.05 1.86 85.99 4.89 0.53 0.70 0.96 0.00 6.22 0.71 50 I E E 78.17 9.74 19.99 30.43 119.77 -138.41 -106.44 130.92 16.73 79.32 3.96 15.35 1.01 0.50 3.71 0.64 0.00 73.07 5.72 51 I E E 18.64 21.20 16.07 36.98 124.77 -169.75 -118.76 138.68 10.00 84.71 5.29 8.64 0.67 0.47 4.87 0.63 0.00 84.08 0.64 52 E E E 81.07 8.81 23.80 32.82 118.72 -151.39 -107.18 128.58 11.05 83.10 5.84 9.67 0.66 0.44 5.00 0.71 0.00 82.98 0.53 53 I E E 22.62 20.72 14.69 35.11 112.31 -144.79 -90.50 122.15 26.21 62.58 11.21 22.70 1.74 1.05 8.98 1.85 0.00 62.70 0.98 54 L C C 73.71 7.60 19.35 27.52 105.41 -149.19 -75.88 -36.72 47.73 16.69 35.58 39.21 4.02 3.49 29.70 5.30 0.01 17.40 0.88 55 E H H 100.76 5.73 17.97 24.29 98.46 -26.62 -70.06 -29.56 35.00 9.46 55.54 25.03 5.40 5.68 46.63 7.64 0.02 8.83 0.77 56 C H H 42.47 9.24 14.63 25.33 95.83 56.78 -70.56 -36.11 27.73 5.07 67.20 20.13 4.45 5.17 56.22 8.92 0.02 4.49 0.61 57 E H H 79.98 7.83 14.54 23.73 93.78 56.05 -66.21 -38.90 19.55 2.66 77.80 13.82 3.27 4.37 68.85 7.07 0.02 2.16 0.44 58 R H H 126.92 3.43 15.16 19.39 93.08 52.41 -65.95 -39.32 17.23 1.49 81.28 10.74 3.04 4.81 73.66 6.31 0.02 1.09 0.32 59 E H H 101.68 3.35 13.97 18.24 93.18 51.39 -67.73 -37.67 19.62 1.04 79.34 11.00 3.29 6.33 72.46 5.93 0.02 0.70 0.26 60 H H H 92.18 5.49 11.00 18.25 95.39 52.75 -69.43 -34.31 25.82 0.80 73.38 14.23 4.29 8.06 66.46 6.20 0.02 0.48 0.27 61 R H H 142.85 3.23 10.69 15.47 96.32 57.89 -70.83 -31.92 35.40 0.96 63.63 19.26 5.22 11.26 56.26 7.09 0.02 0.54 0.36 62 R H H 166.07 1.69 10.05 12.71 97.81 55.91 -74.63 -24.50 48.23 1.26 50.51 23.13 6.50 18.84 43.59 6.70 0.02 0.68 0.54 63 T C C 98.22 2.38 8.06 12.00 102.29 60.34 -84.17 2.76 64.93 0.95 34.11 42.33 1.94 20.02 31.01 3.70 0.00 0.49 0.51 64 R C C 169.92 2.37 10.62 14.54 105.04 -143.80 -86.16 53.47 99.86 0.05 0.09 99.65 0.11 0.15 0.07 0.00 0.00 0.02 0.01