# 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 124.49 3.61 9.78 15.32 118.50 -148.20 -95.94 138.27 99.95 0.05 0.00 99.80 0.16 0.01 0.00 0.00 0.00 0.02 0.01 1 P C C 102.36 2.55 8.74 13.16 114.30 -106.00 -67.84 148.36 99.03 0.55 0.42 97.86 0.31 1.17 0.11 0.13 0.00 0.24 0.19 2 K C C 164.31 1.34 7.75 10.66 114.85 -117.94 -84.61 137.90 92.04 6.49 1.47 81.93 7.04 2.72 0.48 0.92 0.00 3.33 3.57 3 M C C 140.68 2.55 6.86 11.49 114.11 -125.58 -89.98 134.15 87.41 10.80 1.80 77.46 7.48 2.07 0.71 1.04 0.00 6.86 4.37 4 K C C 155.82 1.67 9.10 12.23 118.22 -146.15 -102.39 137.99 85.50 12.18 2.32 73.85 8.81 2.35 1.16 1.14 0.00 7.72 4.98 5 T C C 91.16 4.55 8.08 14.70 118.56 -137.61 -100.31 140.56 86.11 9.89 3.99 69.60 12.77 3.41 2.47 1.63 0.00 6.10 4.02 6 H C C 122.89 4.07 9.95 15.66 111.13 -133.23 -89.57 120.75 87.62 5.42 6.96 71.59 11.77 3.87 5.50 1.85 0.00 3.01 2.41 7 R H H 165.68 2.55 11.67 15.48 98.12 -146.73 -70.43 -28.81 44.93 1.69 53.37 23.99 9.71 12.64 38.89 13.06 0.06 0.83 0.82 8 G H H 42.76 3.42 11.89 16.56 95.16 57.27 -65.57 -37.13 36.31 0.74 62.94 10.34 6.94 18.32 42.50 21.06 0.07 0.40 0.37 9 S H H 53.69 6.26 11.08 18.99 94.47 56.33 -72.23 -26.90 26.09 0.93 72.98 8.75 4.70 11.72 47.57 26.31 0.07 0.53 0.35 10 A H H 55.44 7.31 11.19 19.99 94.35 67.07 -67.38 -26.83 26.01 1.34 72.65 10.19 4.99 10.28 47.51 25.73 0.07 0.78 0.45 11 K H H 140.35 2.79 14.57 18.26 97.62 64.45 -79.38 -7.87 42.39 2.64 54.97 15.80 7.99 18.25 34.69 20.62 0.13 1.60 0.92 12 R C C 132.71 5.50 13.68 20.31 98.53 67.24 -87.20 -9.70 57.67 7.31 35.02 22.00 15.20 21.52 20.33 13.83 0.20 5.13 1.79 13 F C E 85.31 11.70 9.93 22.13 122.48 82.21 -106.16 138.37 47.61 45.67 6.73 35.14 8.86 4.15 4.32 2.93 0.10 40.43 4.06 14 K E E 126.40 3.19 14.94 19.73 124.78 -169.59 -121.69 143.93 26.84 72.06 1.10 23.73 2.37 0.69 0.71 0.45 0.00 70.67 1.38 15 K E E 134.66 4.74 10.22 17.17 115.64 -121.18 -86.17 132.67 12.15 87.52 0.33 10.36 0.77 0.14 0.34 0.10 0.00 64.82 23.48 16 T C C 64.25 5.41 8.24 15.60 120.61 -143.58 -88.05 171.57 88.87 10.91 0.23 87.69 1.23 0.31 0.07 0.10 0.00 9.12 1.48 17 G C T 69.54 0.34 9.52 8.87 93.09 -93.40 -62.83 -21.84 95.37 2.85 1.78 3.73 14.88 76.81 0.12 1.75 0.00 2.32 0.39 18 S C T 93.06 0.72 9.80 10.16 94.66 56.90 -88.95 0.35 97.82 0.31 1.87 1.69 12.57 83.42 0.09 1.94 0.00 0.18 0.10 19 G C S 48.10 3.47 10.09 15.25 97.83 -103.25 85.65 5.45 98.05 0.59 1.35 10.71 79.48 8.02 0.12 1.10 0.00 0.37 0.20 20 K C C 116.31 3.15 11.88 16.81 119.78 128.95 -86.16 146.91 89.48 10.25 0.27 79.57 9.23 0.70 0.11 0.16 0.00 8.51 1.71 21 L E E 77.95 9.58 9.89 20.81 116.09 -121.31 -88.36 134.16 5.36 94.57 0.07 4.95 0.33 0.04 0.07 0.02 0.00 84.32 10.26 22 K E E 105.60 5.87 14.53 22.10 124.03 -166.26 -117.79 143.13 14.92 84.90 0.18 14.34 0.62 0.11 0.15 0.06 0.00 84.00 0.73 23 R E E 127.08 8.72 11.97 22.00 120.83 -137.79 -105.24 138.43 36.43 62.81 0.76 32.73 2.77 0.48 0.50 0.31 0.00 60.58 2.64 24 S C C 55.86 7.50 11.76 20.85 120.63 -143.38 -99.81 149.48 79.05 18.30 2.65 71.96 5.31 1.36 1.50 1.07 0.00 17.17 1.64 25 H C C 124.91 4.91 11.73 18.28 116.97 -131.97 -95.04 139.02 73.03 4.38 22.59 58.06 8.44 6.69 11.69 10.76 0.00 3.02 1.33 26 A C T 71.99 4.24 11.06 16.92 111.11 -114.73 -76.91 134.67 58.57 1.59 39.84 21.83 14.97 22.39 18.81 20.34 0.06 0.80 0.81 27 Y C C 150.45 3.92 10.91 16.26 102.99 20.02 -87.55 39.23 56.50 1.76 41.74 28.51 10.15 18.43 22.25 18.84 0.04 0.86 0.93 28 T H H 70.21 6.62 9.94 18.06 103.44 115.63 -85.88 -12.35 47.71 1.31 50.98 30.05 8.47 9.67 35.03 15.47 0.02 0.63 0.66 29 S H H 72.25 3.62 11.15 16.20 98.74 76.45 -73.79 -25.08 36.46 0.99 62.55 15.50 7.19 13.93 39.32 23.04 0.06 0.52 0.45 30 H H H 131.20 2.37 11.53 14.89 95.70 59.04 -72.76 -21.65 35.79 0.98 63.23 10.40 6.85 18.20 39.61 23.81 0.15 0.52 0.47 31 L H H 96.66 4.53 11.05 17.13 96.86 59.92 -79.64 -16.88 40.02 1.43 58.55 13.66 7.96 18.86 36.94 20.91 0.16 0.72 0.79 32 F C H 93.43 8.54 9.00 18.67 98.56 65.86 -86.02 0.23 52.23 1.90 45.87 27.51 8.82 16.73 27.80 16.96 0.05 0.79 1.34 33 A C T 80.35 2.53 10.87 15.01 93.78 101.17 -65.82 -24.99 71.95 0.33 27.73 4.77 5.77 60.24 18.60 10.15 0.02 0.15 0.30 34 N C T 138.35 0.56 12.39 11.63 97.00 45.56 -93.38 5.60 79.35 0.21 20.44 6.20 8.28 64.63 10.71 9.86 0.01 0.10 0.20 35 K C C 77.78 9.74 6.27 16.65 121.04 108.58 -88.83 149.56 97.19 0.72 2.09 50.80 45.34 0.89 1.68 0.34 0.00 0.15 0.80 36 S C C 63.25 1.59 12.93 14.45 118.95 -108.63 -71.55 160.97 98.47 0.51 1.02 97.08 1.26 0.23 0.85 0.08 0.00 0.13 0.37 37 Q H H 139.49 1.68 10.38 13.30 91.78 -102.79 -59.26 -37.97 3.56 0.01 96.42 0.77 0.67 1.94 95.53 1.08 0.00 0.00 0.01 38 K H H 144.92 0.79 12.69 12.42 91.99 52.36 -64.61 -40.29 2.79 0.01 97.19 0.44 0.34 1.86 96.06 1.29 0.00 0.01 0.00 39 Q H H 82.29 3.62 11.55 16.77 92.27 48.93 -65.76 -39.87 1.67 0.02 98.32 0.40 0.18 1.00 97.00 1.41 0.00 0.01 0.00 40 K H H 89.07 5.90 11.14 18.85 91.80 52.13 -64.01 -40.87 1.50 0.01 98.49 0.37 0.15 0.86 97.55 1.07 0.00 0.01 0.00 41 R H H 142.35 1.51 14.23 15.37 92.04 50.87 -65.15 -39.49 4.39 0.02 95.60 0.43 0.29 3.41 93.47 2.38 0.01 0.01 0.00 42 K H H 131.42 1.71 14.23 15.85 92.64 51.03 -66.87 -36.10 10.21 0.02 89.76 0.62 0.58 8.67 87.54 2.55 0.02 0.01 0.01 43 L H H 74.08 7.46 10.62 19.59 93.67 52.97 -71.45 -25.23 24.28 0.46 75.25 5.53 3.50 15.60 72.22 2.66 0.05 0.21 0.23 44 R C H 148.76 4.11 12.61 18.16 95.77 69.89 -71.87 -20.45 55.83 3.59 40.58 25.72 10.54 20.18 36.73 3.49 0.08 1.80 1.47 45 K C C 147.15 1.90 13.76 15.98 103.62 70.26 -83.25 16.00 70.83 6.77 22.39 31.87 16.81 22.00 17.95 4.86 0.05 5.03 1.42 46 S C C 69.43 6.34 11.41 19.16 114.11 -91.98 -83.92 140.53 72.20 16.22 11.58 49.07 11.29 11.50 7.61 4.16 0.02 14.78 1.57 47 A E E 56.33 6.88 13.00 21.44 125.59 -161.18 -117.93 148.11 46.15 48.50 5.35 36.75 6.28 3.02 3.62 2.08 0.01 44.66 3.57 48 V E E 97.62 5.29 15.28 22.06 117.21 -128.48 -96.76 133.11 31.84 66.32 1.84 26.86 3.00 0.80 1.64 0.62 0.00 57.31 9.76 49 V C C 41.15 15.19 9.13 24.17 120.14 -150.93 -102.05 141.35 58.67 40.49 0.84 55.61 2.21 0.34 0.68 0.27 0.00 36.26 4.62 50 S C C 58.06 2.68 17.22 19.72 121.25 -122.97 -80.07 165.41 89.32 9.93 0.75 87.45 1.90 0.27 0.59 0.13 0.00 9.01 0.65 51 A H H 82.29 2.99 12.82 17.49 91.60 -100.21 -58.34 -36.91 21.60 0.12 78.28 1.54 2.30 16.43 64.09 15.41 0.10 0.06 0.07 52 G H H 46.05 1.37 15.41 15.83 91.56 54.16 -64.15 -38.39 20.64 0.10 79.27 1.20 1.68 16.32 63.50 17.12 0.08 0.05 0.06 53 D H H 48.28 9.32 13.06 23.73 92.99 49.88 -70.34 -34.85 12.36 0.14 87.50 2.95 1.52 7.21 68.89 19.28 0.02 0.09 0.05 54 F H H 71.40 11.31 12.66 24.87 92.01 58.47 -61.94 -41.67 1.28 0.00 98.72 0.38 0.13 0.63 98.00 0.85 0.00 0.00 0.00 55 K H H 130.17 1.41 17.78 17.89 91.71 51.20 -64.54 -40.80 0.46 0.00 99.54 0.08 0.03 0.28 99.17 0.43 0.00 0.00 0.00 56 R H H 125.17 2.64 16.69 19.45 91.92 49.62 -64.95 -41.31 0.36 0.00 99.64 0.06 0.02 0.23 99.32 0.37 0.00 0.00 0.00 57 I H H 45.21 11.87 12.76 25.64 92.31 50.06 -65.33 -41.36 0.34 0.00 99.66 0.04 0.02 0.22 99.39 0.33 0.00 0.00 0.00 58 K H H 114.55 4.63 15.44 21.33 91.68 52.45 -63.80 -39.01 1.12 0.00 98.88 0.08 0.04 0.88 98.08 0.91 0.00 0.00 0.00 59 Q H H 123.27 1.25 15.69 15.90 92.73 51.71 -67.64 -35.72 6.59 0.00 93.40 0.21 0.21 6.31 91.35 1.91 0.00 0.00 0.00 60 M H H 93.62 4.92 12.70 19.04 94.86 50.89 -75.16 -28.09 13.26 0.03 86.71 0.93 0.81 11.28 83.94 2.99 0.02 0.01 0.02 61 L H H 77.39 8.10 9.62 18.96 99.34 70.59 -74.70 -24.93 24.22 0.73 75.05 9.48 3.81 11.13 58.34 16.44 0.07 0.40 0.33 62 A H H 80.05 2.17 11.32 14.44 100.13 70.76 -72.53 -12.03 44.76 0.90 54.33 10.13 4.76 28.33 39.60 16.14 0.08 0.52 0.46 63 N C T 121.52 1.68 10.08 12.75 101.88 59.81 -88.68 11.62 57.58 1.45 40.96 16.18 6.69 33.99 26.81 14.77 0.04 0.82 0.70 64 I C C 103.26 5.59 6.80 14.05 112.17 119.60 -88.45 122.99 79.82 3.44 16.74 66.42 2.63 10.78 13.84 2.72 0.00 1.77 1.84 65 K C C 158.44 1.75 12.14 14.93 109.43 -156.85 -90.66 111.23 99.88 0.09 0.03 99.81 0.07 0.05 0.01 0.00 0.00 0.05 0.01