# 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 128.97 3.43 10.57 15.57 117.08 -156.41 -94.15 139.18 99.91 0.08 0.01 99.85 0.08 0.02 0.00 0.00 0.00 0.04 0.01 1 A C C 87.23 2.20 8.13 12.09 111.66 -120.87 -81.07 132.71 93.74 5.97 0.29 91.65 1.66 0.80 0.12 0.10 0.00 2.75 2.91 2 V C C 110.16 2.63 6.91 11.51 117.24 -143.67 -99.25 132.90 93.41 6.32 0.27 70.49 22.90 0.57 0.14 0.13 0.00 3.30 2.47 3 P C C 95.83 2.84 8.02 12.80 114.19 -107.30 -67.37 147.86 94.26 4.27 1.47 87.47 5.03 1.93 0.54 0.76 0.00 2.81 1.47 4 K C C 165.71 1.31 8.50 11.08 112.87 -119.41 -79.54 135.15 88.80 6.54 4.65 71.23 12.72 4.33 2.14 2.46 0.00 3.29 3.83 5 R C C 174.35 2.03 7.58 11.39 116.37 -122.98 -95.77 134.30 85.87 7.82 6.31 65.79 14.69 4.88 3.29 3.08 0.00 4.22 4.04 6 R C C 174.27 1.73 8.19 11.64 116.28 -151.33 -96.95 135.73 85.49 6.52 7.99 66.25 13.98 4.77 5.52 2.70 0.00 3.48 3.29 7 T C C 87.58 4.04 7.82 13.74 116.94 -146.81 -97.11 143.44 88.35 3.75 7.90 70.47 14.02 3.50 6.62 1.75 0.00 1.87 1.77 8 S C C 59.71 3.05 9.02 13.78 116.52 -120.84 -80.10 155.58 82.62 2.38 15.00 69.62 9.16 2.89 14.51 1.58 0.00 1.02 1.21 9 K H H 158.22 1.21 10.19 12.09 93.77 -114.40 -63.52 -34.36 31.60 0.77 67.63 11.59 8.42 12.99 60.42 5.83 0.05 0.39 0.32 10 T H H 91.44 1.38 10.54 12.29 93.77 54.74 -68.04 -37.83 30.64 1.25 68.12 11.52 6.90 13.58 60.81 5.96 0.05 0.79 0.39 11 R H H 128.65 2.82 10.36 14.50 94.63 51.78 -69.71 -36.56 25.66 1.74 72.60 13.77 5.64 8.38 63.61 6.91 0.05 1.13 0.50 12 K H H 118.22 2.96 10.48 14.92 93.18 56.26 -66.13 -39.43 22.43 1.25 76.32 10.46 4.48 9.04 68.88 5.91 0.08 0.78 0.38 13 N H H 108.83 1.50 11.75 13.54 94.01 51.32 -70.13 -29.46 28.54 1.02 70.45 10.78 4.85 13.83 63.78 5.75 0.07 0.63 0.32 14 K H H 131.85 2.22 11.25 14.41 95.43 58.38 -74.65 -23.75 35.73 1.24 63.04 16.72 7.04 13.27 55.92 5.85 0.06 0.66 0.49 15 R H H 137.68 3.94 9.89 15.50 97.43 69.54 -75.01 -19.11 45.87 2.36 51.76 25.49 8.81 12.79 45.18 5.52 0.05 1.15 1.01 16 R C C 148.66 2.98 10.49 14.93 99.42 67.19 -81.03 -4.23 57.27 3.07 39.66 36.84 8.74 12.04 33.57 5.86 0.02 1.47 1.44 17 T C C 87.59 3.46 10.06 15.04 100.43 83.75 -81.45 -15.37 64.20 2.03 33.77 35.86 11.22 17.13 25.44 8.32 0.02 1.00 1.02 18 H C C 139.86 2.48 10.29 13.96 101.38 62.79 -84.82 -5.86 70.09 1.76 28.15 30.18 17.14 23.07 17.77 10.08 0.03 0.85 0.89 19 F C C 136.03 3.84 9.84 15.35 107.92 78.69 -91.02 80.95 77.10 2.26 20.64 38.94 21.02 17.59 11.12 9.03 0.01 1.12 1.16 20 K C C 149.15 2.42 11.29 15.21 110.75 -146.41 -91.17 116.16 84.01 5.84 10.15 61.43 12.49 9.79 4.99 5.18 0.00 3.63 2.48 21 I C C 93.70 7.85 8.81 17.97 116.44 -154.49 -97.27 132.19 87.87 8.51 3.62 75.82 8.31 3.32 1.80 1.77 0.00 5.36 3.62 22 S C C 85.97 2.26 13.44 16.90 115.76 -152.63 -100.15 130.38 90.17 8.11 1.72 78.47 9.21 2.02 0.81 0.87 0.00 4.62 4.00 23 V C C 75.29 9.12 8.94 19.14 117.43 -157.22 -107.78 126.65 96.45 3.05 0.50 79.87 16.01 0.83 0.18 0.28 0.00 1.63 1.21 24 P C C 97.88 2.92 13.08 17.22 112.28 -114.78 -67.13 145.19 96.33 2.65 1.02 42.39 13.61 40.49 0.15 0.88 0.00 1.99 0.48 25 G C T 49.18 3.72 14.58 18.95 107.27 14.31 85.12 -1.12 91.34 7.83 0.83 33.54 17.15 40.73 0.08 0.93 0.00 7.02 0.56 26 M C C 86.57 10.56 11.32 22.64 120.71 -106.71 -96.13 140.78 62.71 37.10 0.19 58.23 3.13 0.32 0.03 0.15 0.00 37.15 0.99 27 T E E 51.82 8.57 15.35 25.64 126.82 -168.50 -121.60 146.07 11.99 87.95 0.06 11.15 0.81 0.08 0.02 0.04 0.00 86.95 0.95 28 E E E 116.90 4.87 17.53 23.70 116.13 -118.14 -85.73 135.45 4.86 95.12 0.03 4.75 0.19 0.01 0.02 0.01 0.00 81.66 13.36 29 C C C 14.79 17.51 8.36 26.16 109.33 -114.98 -70.70 128.10 94.75 5.23 0.02 94.97 0.47 0.05 0.00 0.01 0.00 4.12 0.38 30 P C T 102.77 2.18 16.06 18.75 92.54 -143.81 -66.90 -24.64 99.39 0.21 0.40 2.51 9.73 87.05 0.01 0.47 0.00 0.17 0.04 31 N C T 107.54 3.13 13.74 17.84 99.79 45.08 -83.84 -37.43 99.53 0.09 0.38 0.12 3.31 96.24 0.00 0.27 0.00 0.05 0.02 32 C C T 66.80 4.86 12.31 18.74 103.00 18.89 -108.81 -13.15 99.57 0.15 0.29 0.51 4.86 94.26 0.01 0.26 0.00 0.08 0.03 33 G C C 49.28 3.36 12.94 17.93 95.64 -118.95 80.73 5.95 98.70 1.20 0.11 84.33 10.91 3.46 0.02 0.09 0.00 0.72 0.46 34 R C C 116.62 4.46 12.71 19.22 119.01 141.63 -79.40 146.51 95.74 4.23 0.02 92.99 2.90 0.14 0.00 0.02 0.00 3.53 0.42 35 E E E 125.34 4.19 14.83 20.58 115.81 -121.38 -87.75 138.83 5.07 94.90 0.03 4.63 0.37 0.03 0.01 0.01 0.00 86.56 8.38 36 Y E E 72.69 14.01 10.03 24.15 124.65 -161.46 -115.62 144.95 13.79 86.15 0.06 13.27 0.67 0.08 0.01 0.04 0.00 85.01 0.91 37 K E E 134.59 3.49 15.63 20.29 112.10 -144.32 -97.32 127.91 45.32 53.99 0.69 34.60 9.82 1.62 0.13 0.63 0.00 51.63 1.57 38 L C C 80.86 7.83 13.30 22.27 119.28 -76.66 -96.71 149.09 69.94 19.59 10.47 35.80 20.51 14.72 1.06 9.71 0.01 16.35 1.85 39 S C C 64.73 6.43 16.07 23.34 96.56 -81.10 -72.74 -11.38 79.94 7.91 12.15 28.67 24.49 26.93 0.96 11.81 0.00 5.91 1.22 40 H C C 78.49 11.37 15.52 27.35 105.89 60.22 -100.73 34.30 72.85 14.45 12.69 33.52 20.50 19.00 0.99 12.43 0.00 12.26 1.29 41 R C E 90.97 11.18 18.94 30.47 118.61 114.53 -107.68 130.05 53.58 41.39 5.02 38.07 11.12 5.17 0.70 4.33 0.00 39.04 1.59 42 V E B 37.64 13.33 18.05 32.21 126.45 -151.98 -117.95 143.21 8.47 91.41 0.13 6.98 0.64 0.05 0.11 0.03 0.00 43.04 49.13 43 C C C 16.15 15.98 14.19 31.40 110.62 -110.38 -72.03 131.92 79.80 20.16 0.04 80.48 0.63 0.06 0.01 0.02 0.00 17.10 1.70 44 K C T 132.01 5.48 17.02 24.03 92.53 -137.38 -63.53 -26.90 99.06 0.57 0.37 0.30 2.66 96.22 0.01 0.36 0.00 0.39 0.07 45 N C T 116.64 2.01 18.46 20.28 97.35 47.72 -80.78 -33.42 99.61 0.08 0.31 0.06 1.34 98.27 0.00 0.27 0.00 0.04 0.01 46 C C T 53.88 7.78 15.85 24.94 103.52 22.15 -110.37 -12.39 99.66 0.16 0.18 0.48 4.01 95.17 0.00 0.20 0.00 0.12 0.02 47 G C C 17.34 11.47 15.75 28.62 100.74 -116.18 85.63 7.18 82.29 17.61 0.10 76.85 3.27 2.51 0.02 0.07 0.00 16.19 1.10 48 S E E 30.64 8.96 17.34 27.97 126.95 132.79 -109.76 152.98 7.94 92.04 0.02 8.40 0.20 0.02 0.01 0.01 0.00 84.12 7.24 49 Y E E 60.56 14.80 12.58 27.88 123.54 -161.19 -134.06 130.13 6.60 93.27 0.13 3.82 1.49 1.42 0.04 0.10 0.00 87.75 5.38 50 N C T 121.41 2.97 15.35 19.47 92.55 -11.42 53.82 41.36 99.52 0.24 0.24 0.47 3.52 95.59 0.02 0.18 0.00 0.18 0.04 51 G C T 61.83 1.54 14.11 15.95 94.18 -50.50 80.03 2.97 99.61 0.11 0.28 0.67 4.84 94.13 0.02 0.24 0.00 0.09 0.01 52 E E E 111.37 3.58 13.79 19.22 122.14 112.64 -106.12 141.80 11.26 88.44 0.30 6.85 4.43 1.05 0.13 0.19 0.01 82.37 4.97 53 E E E 111.66 5.61 14.62 21.85 110.91 -109.77 -71.87 130.81 12.02 87.72 0.26 11.02 0.67 0.19 0.19 0.12 0.00 80.97 6.84 54 V C C 44.53 13.75 11.81 25.92 101.97 -169.20 -91.37 -22.13 72.67 18.37 8.96 49.47 12.94 9.85 2.43 6.79 0.00 17.15 1.35 55 A C C 48.62 9.84 11.66 22.31 116.34 50.68 -99.59 137.64 72.60 14.23 13.17 33.12 21.03 19.79 2.85 9.84 0.03 10.95 2.39 56 A C C 78.13 3.42 11.19 16.30 113.02 -134.18 -86.47 134.17 80.90 9.38 9.72 66.84 3.71 10.78 2.19 6.89 0.00 7.49 2.10 57 K C C 147.78 3.44 12.10 17.39 108.78 -125.85 -85.02 115.53 99.71 0.21 0.08 99.54 0.17 0.10 0.03 0.01 0.00 0.11 0.03