# 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 G C C 54.03 2.63 15.63 18.82 106.85 -102.01 83.13 9.74 99.91 0.07 0.01 99.57 0.25 0.12 0.00 0.00 0.00 0.04 0.01 1 I C C 87.84 9.79 9.09 19.47 115.22 -57.57 -95.32 127.37 91.06 3.86 5.08 86.74 1.75 3.31 1.05 3.48 0.00 2.45 1.22 2 T C C 101.08 2.66 13.47 17.33 105.84 -172.35 -96.53 -6.73 88.47 5.86 5.68 49.64 25.99 12.34 0.63 5.98 0.00 4.16 1.26 3 H C C 129.78 3.93 14.84 20.32 122.44 14.60 -118.13 134.62 79.93 13.90 6.17 52.88 16.92 9.62 0.93 6.23 0.00 10.16 3.25 4 I C C 42.07 17.19 9.92 26.66 119.02 -165.95 -110.50 130.22 87.76 11.34 0.90 81.71 5.41 0.60 0.35 0.53 0.00 7.57 3.83 5 D C C 73.85 4.72 19.40 24.66 110.46 -145.29 -96.36 115.08 96.26 3.27 0.48 94.95 1.40 0.40 0.14 0.21 0.00 1.81 1.08 6 Y C T 75.34 16.92 10.91 27.59 93.63 -160.76 -70.34 -15.13 95.65 0.23 4.12 3.71 6.15 85.84 0.63 3.40 0.00 0.12 0.13 7 K C T 146.53 2.61 16.81 20.13 92.27 64.65 -79.64 -11.88 95.86 0.15 3.99 2.78 7.98 85.26 0.57 3.25 0.00 0.08 0.08 8 D C C 65.10 6.47 13.83 22.18 106.86 82.72 -99.49 100.68 96.49 1.36 2.14 80.92 13.91 1.34 0.96 1.12 0.00 0.43 1.31 9 T H H 66.16 10.59 11.65 23.42 93.35 -173.32 -64.28 -32.59 7.85 0.05 92.09 2.01 1.26 4.63 85.61 6.42 0.01 0.03 0.03 10 E H H 131.52 1.49 17.99 18.61 91.58 58.65 -63.95 -38.46 3.05 0.01 96.94 0.25 0.26 2.47 89.45 7.56 0.01 0.01 0.00 11 L H H 38.96 9.80 15.60 27.23 92.10 50.56 -65.35 -41.09 1.29 0.01 98.70 0.12 0.10 1.00 91.82 6.95 0.00 0.00 0.00 12 L H H 11.66 22.20 12.31 34.20 91.68 52.14 -64.01 -40.29 1.08 0.00 98.91 0.11 0.08 0.79 92.83 6.18 0.00 0.00 0.00 13 K H H 117.87 6.56 19.10 26.75 90.95 55.57 -64.14 -33.18 5.72 0.02 94.26 0.26 0.26 4.84 75.81 18.81 0.01 0.01 0.01 14 R H H 142.31 3.21 22.10 25.17 92.01 55.64 -71.47 -26.25 23.40 0.04 76.56 0.44 0.82 22.31 58.39 17.96 0.04 0.02 0.03 15 F H H 25.36 18.99 15.22 34.38 96.77 48.67 -94.53 -9.55 40.88 0.29 58.83 1.83 3.02 34.11 45.35 15.21 0.11 0.16 0.21 16 I E B 32.23 17.49 12.41 30.14 122.23 86.98 -98.22 141.20 6.68 92.99 0.32 3.63 0.92 0.04 0.30 0.02 0.00 8.86 86.21 17 S C C 36.09 7.22 13.81 23.00 123.79 -134.39 -82.00 172.37 96.42 3.43 0.15 96.78 0.32 0.12 0.05 0.04 0.00 2.03 0.65 18 E C T 166.25 1.13 13.26 14.80 90.68 -90.34 -63.66 -20.90 98.38 0.79 0.83 0.59 4.04 94.10 0.12 0.51 0.00 0.45 0.18 19 R C T 171.25 1.22 15.26 15.63 93.28 54.77 -88.43 2.25 99.04 0.22 0.74 0.27 3.79 95.18 0.05 0.55 0.00 0.11 0.06 20 G C S 24.13 13.77 11.74 25.65 96.45 -106.11 82.71 8.92 99.25 0.44 0.31 10.93 87.01 1.47 0.03 0.21 0.00 0.20 0.15 21 K C C 108.43 3.86 20.34 24.95 121.05 134.83 -90.01 145.77 94.18 5.71 0.12 75.81 18.36 0.32 0.05 0.06 0.00 3.10 2.30 22 I E B 41.12 18.82 13.30 31.79 112.74 -112.75 -79.69 131.12 9.73 90.14 0.12 6.78 0.66 0.03 0.12 0.01 0.00 10.66 81.72 23 L C C 47.80 11.56 15.63 28.61 114.82 -119.07 -76.02 137.90 95.55 4.26 0.20 94.17 1.71 0.14 0.11 0.05 0.00 3.30 0.52 24 P C C 59.33 7.44 16.94 25.59 112.97 -107.27 -66.94 147.50 90.41 2.74 6.85 84.80 3.82 2.13 4.84 1.67 0.00 1.54 1.20 25 R C H 132.82 9.12 12.21 22.30 93.81 -122.34 -63.43 -26.47 53.74 1.99 44.27 22.47 13.47 18.72 24.37 18.74 0.07 0.95 1.21 26 R C H 171.01 1.78 15.14 17.17 93.80 66.39 -71.22 -19.99 49.11 3.60 47.29 19.11 12.29 18.66 27.61 18.56 0.23 1.86 1.69 27 V C H 75.24 7.77 11.84 20.82 99.40 56.35 -87.90 -11.77 50.43 4.93 44.64 22.96 13.73 15.05 27.92 15.37 0.23 2.48 2.26 28 T C C 63.86 10.47 10.48 21.46 104.66 70.11 -88.59 9.85 69.41 3.13 27.45 30.48 17.50 22.17 21.60 5.17 0.08 1.36 1.64 29 G C S 59.59 1.68 15.26 17.00 98.59 -98.13 79.15 4.86 88.27 1.28 10.45 25.90 32.24 30.90 6.27 3.40 0.01 0.56 0.73 30 T C S 53.86 10.62 9.21 20.66 119.99 112.44 -94.24 150.51 87.93 2.00 10.06 36.01 40.28 11.89 7.25 2.57 0.01 0.77 1.23 31 S C C 59.75 2.89 15.57 18.63 117.08 -104.97 -76.40 159.65 88.37 2.71 8.92 74.52 10.03 3.14 8.08 1.45 0.00 0.95 1.83 32 A H H 69.99 4.84 12.32 18.91 92.85 -108.62 -59.75 -37.70 4.15 0.03 95.82 1.39 0.93 1.71 95.37 0.58 0.00 0.01 0.01 33 K H H 139.48 1.33 16.54 17.02 91.98 53.09 -64.50 -40.56 1.78 0.01 98.21 0.38 0.21 1.06 97.81 0.54 0.00 0.00 0.00 34 Y H H 88.59 7.51 15.49 24.39 92.35 48.27 -66.47 -40.67 0.82 0.01 99.17 0.22 0.09 0.43 98.77 0.48 0.00 0.00 0.00 35 Q H H 46.40 13.66 13.95 28.19 91.95 52.44 -63.03 -41.62 0.37 0.00 99.63 0.09 0.03 0.18 99.56 0.14 0.00 0.00 0.00 36 R H H 136.14 2.83 20.33 23.07 91.73 50.65 -64.56 -40.97 0.31 0.00 99.69 0.06 0.02 0.18 99.68 0.07 0.00 0.00 0.00 37 M H H 93.44 4.20 20.77 25.10 91.92 49.42 -64.91 -41.42 0.23 0.00 99.77 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 38 L H H 26.36 17.05 17.08 34.17 92.33 50.17 -64.96 -42.05 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 39 T H H 46.87 10.28 19.93 30.84 91.76 50.74 -63.54 -42.28 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 40 T H H 68.53 2.75 23.24 24.85 91.70 49.44 -64.22 -42.22 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 41 A H H 25.55 9.70 19.62 30.77 91.70 50.09 -64.18 -42.36 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 42 I H H 27.24 16.91 17.71 34.70 92.13 49.57 -64.20 -42.44 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 43 K H H 104.02 5.00 21.82 27.21 91.66 50.61 -63.54 -41.64 0.18 0.00 99.82 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 44 R H H 120.73 3.01 21.56 24.04 91.85 49.64 -64.66 -41.61 0.27 0.00 99.73 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 45 S H H 18.08 12.09 15.28 29.11 91.72 51.05 -64.28 -41.67 0.35 0.00 99.65 0.04 0.02 0.23 99.55 0.16 0.00 0.00 0.00 46 R H H 95.86 9.21 16.06 26.15 92.24 50.68 -64.27 -40.69 0.57 0.00 99.43 0.05 0.03 0.42 99.22 0.28 0.00 0.00 0.00 47 H H H 125.69 2.28 16.43 18.85 92.71 49.43 -66.29 -37.95 1.25 0.00 98.75 0.07 0.05 1.04 98.53 0.32 0.00 0.00 0.00 48 M H H 108.00 3.39 14.03 18.36 94.13 48.33 -75.58 -26.16 7.47 0.01 92.52 0.19 0.25 7.27 91.68 0.58 0.01 0.00 0.00 49 A C T 70.59 4.53 13.44 19.07 98.03 32.58 -73.56 -14.91 54.92 0.03 45.04 0.59 1.33 52.42 44.65 0.96 0.01 0.01 0.03 50 L C T 99.24 4.51 13.17 18.87 99.70 64.48 -84.80 -15.29 74.06 0.27 25.67 3.78 7.73 60.22 26.28 1.65 0.02 0.09 0.23 51 L C C 69.53 9.36 9.09 19.58 113.37 80.70 -93.57 122.11 84.97 1.41 13.62 38.31 36.21 10.69 3.77 9.44 0.00 0.60 0.99 52 P C C 93.87 3.02 12.38 16.74 101.99 -135.60 -68.98 -2.89 84.92 1.16 13.92 46.37 17.54 20.13 2.27 12.56 0.00 0.65 0.48 53 Y C C 154.62 3.79 9.84 15.40 105.92 66.09 -91.72 55.27 75.54 8.03 16.44 47.75 11.26 16.24 3.58 13.27 0.01 4.75 3.13 54 V C C 87.90 6.24 8.14 16.00 114.41 124.66 -98.11 126.36 89.63 6.01 4.36 85.62 1.61 3.10 1.69 2.10 0.00 3.83 2.05 55 K C C 156.17 2.06 12.69 16.06 111.19 -140.65 -88.66 120.18 99.88 0.10 0.02 99.79 0.09 0.05 0.01 0.00 0.00 0.05 0.01