# 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 124.61 3.57 9.69 15.21 118.58 -150.77 -95.26 139.17 99.95 0.05 0.00 99.80 0.15 0.01 0.00 0.00 0.00 0.02 0.01 1 P C C 102.80 2.48 8.70 13.04 114.28 -105.46 -68.15 148.33 99.06 0.56 0.38 97.80 0.31 1.24 0.09 0.12 0.00 0.24 0.19 2 K C C 164.81 1.30 7.73 10.56 114.85 -117.75 -84.50 136.99 92.29 6.43 1.28 81.89 7.40 2.67 0.40 0.84 0.00 3.31 3.49 3 M C C 140.29 2.58 6.82 11.51 115.17 -124.83 -90.27 135.39 87.69 10.90 1.40 78.77 6.91 1.69 0.55 0.82 0.00 6.92 4.35 4 K C C 155.40 1.66 9.23 12.37 119.31 -151.43 -105.01 139.27 85.33 12.86 1.81 75.86 7.27 1.74 0.93 0.85 0.00 8.01 5.34 5 T C C 91.94 4.57 8.09 14.71 118.14 -135.32 -96.93 140.35 86.44 9.88 3.68 71.21 11.79 3.07 2.35 1.44 0.00 6.11 4.02 6 H C C 121.08 4.27 9.90 15.83 112.08 -135.57 -90.73 120.10 87.87 5.19 6.94 72.99 10.84 3.63 5.59 1.74 0.00 2.89 2.31 7 R H H 166.54 2.51 11.72 15.47 98.18 -149.14 -71.06 -28.81 44.87 1.70 53.42 25.37 8.92 11.82 38.75 13.43 0.04 0.85 0.81 8 G H H 42.51 3.39 11.97 16.61 94.88 58.87 -65.67 -37.23 34.93 0.75 64.32 10.81 6.67 16.82 42.83 22.06 0.06 0.40 0.35 9 S H H 52.24 6.67 10.99 19.27 94.32 56.30 -71.38 -28.22 24.57 0.83 74.60 8.48 4.39 10.84 48.18 27.28 0.06 0.48 0.30 10 A H H 55.67 7.38 11.34 20.18 94.17 66.05 -67.25 -26.63 24.60 1.17 74.23 9.54 4.61 9.87 48.01 26.85 0.06 0.67 0.39 11 K H H 141.81 2.62 14.82 18.20 95.42 62.62 -78.65 -9.40 42.03 2.39 55.59 15.56 7.92 18.26 34.57 21.31 0.12 1.41 0.86 12 R C C 131.66 5.58 13.79 20.45 97.13 65.41 -88.85 -9.32 58.98 6.82 34.21 22.61 15.53 21.89 19.41 13.94 0.17 4.68 1.76 13 F C E 81.61 12.32 9.67 22.32 122.37 82.53 -105.89 139.09 50.60 43.37 6.03 37.98 9.13 4.06 3.58 2.83 0.08 38.70 3.65 14 K E E 126.16 3.11 15.25 19.84 125.14 -169.08 -122.81 145.22 25.55 73.63 0.82 22.82 2.11 0.56 0.47 0.36 0.00 72.49 1.18 15 R E E 151.63 4.82 10.19 17.24 115.66 -121.34 -87.38 132.41 8.74 91.07 0.19 7.75 0.47 0.07 0.22 0.05 0.00 66.46 24.98 16 T C C 62.59 5.40 8.21 15.60 120.99 -141.69 -87.68 171.38 90.79 9.06 0.14 90.37 0.83 0.20 0.04 0.06 0.00 7.37 1.14 17 G C T 69.82 0.31 9.48 8.73 92.35 -93.38 -63.73 -22.36 96.28 2.27 1.46 2.67 11.86 81.78 0.08 1.49 0.00 1.83 0.29 18 S C T 93.24 0.70 9.79 10.08 94.32 56.79 -88.71 0.00 98.23 0.22 1.54 1.15 9.85 87.10 0.06 1.64 0.00 0.13 0.07 19 G C S 47.04 3.63 10.10 15.47 97.92 -103.44 86.17 5.74 98.44 0.44 1.13 9.75 82.17 6.70 0.08 0.90 0.00 0.26 0.15 20 K C C 113.71 3.33 11.79 16.93 119.82 128.98 -85.31 147.52 91.42 8.41 0.17 83.85 7.33 0.47 0.06 0.10 0.00 6.67 1.52 21 L E E 77.28 9.33 9.87 20.64 115.94 -120.35 -87.02 134.76 3.80 96.16 0.03 3.62 0.19 0.02 0.03 0.01 0.00 85.20 10.92 22 K E E 105.24 5.81 14.13 21.63 124.24 -165.34 -117.19 143.94 15.13 84.78 0.09 14.61 0.56 0.08 0.06 0.03 0.00 84.00 0.66 23 R E E 127.75 8.41 11.19 21.03 120.42 -144.53 -105.26 138.43 38.12 61.35 0.53 34.74 2.50 0.41 0.28 0.25 0.00 59.00 2.81 24 R C C 138.60 4.98 11.87 18.74 119.37 -146.44 -104.24 142.06 81.28 16.08 2.64 74.32 5.26 1.54 1.56 1.01 0.00 14.63 1.68 25 H C C 129.87 4.52 10.44 16.79 115.92 -132.23 -88.75 140.27 78.96 4.86 16.18 63.13 9.00 6.82 8.34 7.82 0.00 3.40 1.49 26 G C C 49.00 3.82 10.26 15.65 111.04 -120.87 -81.68 122.34 65.62 1.90 32.47 30.91 17.05 17.95 14.89 17.25 0.04 0.93 0.98 27 F C C 145.16 3.24 10.06 14.82 106.56 4.22 -90.35 81.00 60.41 2.37 37.22 33.72 12.25 14.63 19.85 17.12 0.03 1.14 1.26 28 T C C 79.57 5.45 9.41 16.43 106.46 139.13 -90.45 30.84 55.53 1.67 42.80 36.26 9.77 9.56 28.44 14.30 0.01 0.80 0.86 29 S H H 70.83 3.84 10.04 15.47 104.61 79.65 -81.39 24.75 44.37 1.37 54.26 22.72 9.22 12.85 32.85 20.99 0.04 0.70 0.63 30 H H H 135.81 2.45 10.59 14.26 96.65 69.47 -74.13 -17.57 42.11 1.33 56.57 13.68 8.99 19.70 33.57 22.58 0.14 0.69 0.64 31 M H H 113.93 3.65 10.80 15.91 97.14 62.44 -80.81 -10.20 45.04 1.78 53.18 16.80 9.24 19.68 31.75 20.53 0.14 0.89 0.97 32 F C C 96.89 8.15 8.67 17.97 98.75 73.86 -85.27 1.70 53.95 2.11 43.93 29.83 9.53 15.27 25.58 17.38 0.04 0.87 1.50 33 A C T 80.68 2.59 10.64 14.87 93.79 97.22 -66.48 -23.84 72.30 0.34 27.36 4.79 5.94 60.48 17.35 10.95 0.02 0.17 0.31 34 N C T 138.18 0.56 12.30 11.57 97.11 45.41 -93.38 6.43 79.21 0.22 20.58 5.91 8.19 64.93 10.27 10.39 0.01 0.11 0.20 35 K C C 78.33 9.44 6.33 16.54 120.75 110.50 -87.69 148.86 97.18 0.74 2.08 50.56 45.61 0.85 1.67 0.34 0.00 0.15 0.83 36 S C C 62.96 1.65 12.89 14.54 118.86 -108.69 -71.27 160.07 98.51 0.47 1.02 97.27 1.14 0.22 0.85 0.07 0.00 0.11 0.34 37 Q H H 138.47 1.75 10.44 13.46 91.93 -103.65 -59.23 -37.87 3.29 0.01 96.70 0.72 0.59 1.77 95.92 0.97 0.00 0.00 0.00 38 K H H 144.61 0.81 12.84 12.60 91.99 52.37 -64.61 -40.41 2.48 0.01 97.50 0.39 0.28 1.65 96.51 1.16 0.00 0.01 0.00 39 Q H H 82.63 3.56 11.74 16.85 92.25 49.21 -65.78 -39.95 1.46 0.01 98.53 0.33 0.15 0.88 97.40 1.23 0.00 0.01 0.00 40 K H H 89.03 5.74 11.37 18.92 91.84 51.84 -64.07 -40.91 1.34 0.01 98.65 0.33 0.13 0.76 97.87 0.90 0.00 0.01 0.00 41 R H H 138.08 1.55 14.39 15.56 91.94 50.87 -64.81 -40.15 3.51 0.02 96.48 0.41 0.24 2.62 94.77 1.94 0.01 0.01 0.01 42 K H H 126.61 1.72 14.47 16.04 92.45 50.57 -66.20 -37.90 7.63 0.02 92.35 0.57 0.47 6.20 90.38 2.34 0.01 0.01 0.01 43 L H H 71.39 7.43 10.93 19.89 93.14 52.19 -69.27 -29.36 17.57 0.25 82.19 3.85 2.28 11.52 79.45 2.63 0.03 0.11 0.13 44 R H H 147.06 3.90 12.99 18.29 93.53 61.17 -69.88 -23.76 43.72 1.77 54.51 17.18 7.67 19.86 50.32 3.28 0.07 0.85 0.78 45 K C H 149.12 1.72 14.08 15.81 100.52 62.45 -81.56 -7.52 62.99 3.90 33.11 24.37 13.20 25.47 28.26 4.92 0.06 2.67 1.05 46 S C C 67.49 6.21 11.58 19.12 111.72 66.37 -83.25 132.47 72.17 9.81 18.02 43.80 11.24 16.72 13.53 4.92 0.03 8.23 1.53 47 A C C 57.08 7.00 12.94 21.39 122.07 91.50 -103.98 142.96 58.62 32.86 8.53 45.18 7.75 4.96 5.95 3.04 0.03 29.24 3.85 48 M E E 116.98 5.51 15.18 22.11 117.89 -130.77 -95.33 134.24 42.68 54.14 3.18 34.89 4.51 1.46 2.73 1.07 0.01 42.85 12.47 49 V C C 42.93 14.88 9.37 24.22 120.87 -152.18 -104.34 141.58 62.61 36.09 1.30 58.00 3.18 0.56 1.04 0.41 0.00 30.03 6.77 50 S C C 57.45 2.80 17.23 19.96 121.54 -123.17 -80.82 164.89 89.74 9.40 0.86 87.75 1.95 0.31 0.68 0.14 0.00 8.35 0.82 51 A H H 81.51 3.19 12.78 17.72 91.59 -100.29 -58.67 -37.05 20.89 0.14 78.98 1.57 2.15 15.54 62.43 18.09 0.09 0.07 0.07 52 G H H 46.47 1.34 15.46 15.82 91.39 54.57 -64.33 -38.06 19.95 0.09 79.95 1.16 1.54 15.59 61.43 20.10 0.07 0.05 0.05 53 D H H 49.34 9.13 13.10 23.60 93.11 49.78 -71.08 -34.22 12.60 0.14 87.26 2.82 1.45 7.45 65.31 22.83 0.02 0.09 0.05 54 F H H 68.72 11.52 12.45 24.87 92.28 59.61 -61.96 -41.90 1.28 0.01 98.71 0.40 0.13 0.62 97.95 0.90 0.00 0.00 0.00 55 K H H 128.82 1.46 17.69 17.94 91.73 51.20 -64.35 -40.82 0.45 0.00 99.54 0.08 0.03 0.28 99.15 0.45 0.00 0.00 0.00 56 R H H 125.68 2.58 16.64 19.30 91.96 49.67 -65.08 -41.26 0.36 0.00 99.64 0.06 0.02 0.23 99.29 0.40 0.00 0.00 0.00 57 I H H 46.71 11.84 12.78 25.58 92.38 50.04 -65.34 -41.27 0.32 0.00 99.68 0.04 0.02 0.20 99.40 0.34 0.00 0.00 0.00 58 R H H 131.53 4.62 15.48 21.38 91.72 52.35 -63.74 -38.46 1.01 0.00 98.99 0.08 0.04 0.78 98.15 0.95 0.00 0.00 0.00 59 Q H H 121.87 1.29 15.93 16.11 92.68 51.24 -68.63 -35.51 5.77 0.00 94.23 0.20 0.18 5.50 92.27 1.84 0.00 0.00 0.00 60 M H H 92.08 4.90 13.09 19.36 96.05 50.66 -77.53 -28.35 11.63 0.03 88.35 0.84 0.73 9.77 85.99 2.63 0.01 0.01 0.02 61 V H H 65.44 8.54 9.58 19.27 102.44 72.32 -76.59 -15.08 21.26 0.69 78.05 8.92 3.47 9.38 64.03 13.47 0.05 0.38 0.30 62 A H H 77.26 2.27 11.60 14.81 98.55 63.37 -71.31 -19.05 40.35 1.01 58.64 10.49 4.17 24.19 45.29 14.75 0.08 0.60 0.44 63 K C H 151.87 1.66 10.06 12.67 103.26 59.36 -86.15 16.86 52.69 1.66 45.66 15.13 5.99 30.70 33.31 13.10 0.07 0.96 0.74 64 M C C 114.93 4.89 7.04 13.66 110.03 117.59 -86.23 113.99 73.77 2.92 23.32 57.88 2.64 13.29 19.73 3.45 0.00 1.48 1.53 65 K C C 158.59 1.84 11.94 14.95 108.73 -155.35 -88.00 105.17 99.87 0.09 0.04 99.76 0.08 0.08 0.02 0.00 0.00 0.04 0.01