# 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 K C C 143.40 3.17 14.01 18.70 114.00 -126.09 -83.69 133.07 99.95 0.03 0.02 99.86 0.07 0.05 0.01 0.00 0.00 0.01 0.01 1 N C C 82.31 7.78 9.15 18.31 110.49 -131.55 -86.27 118.27 97.36 0.31 2.33 95.53 0.53 1.66 1.76 0.20 0.00 0.09 0.23 2 K C C 128.39 3.24 13.01 17.47 97.20 -176.31 -84.29 -10.73 77.62 0.65 21.73 55.42 13.53 6.20 22.84 1.34 0.00 0.17 0.51 3 V H H 56.94 8.95 10.93 21.21 93.57 77.04 -64.34 -41.80 13.34 0.09 86.57 7.37 2.95 3.23 84.87 1.49 0.00 0.03 0.05 4 P H H 68.77 3.21 14.21 18.48 91.90 50.98 -63.34 -40.57 6.32 0.05 93.62 2.79 0.81 2.74 90.96 2.64 0.00 0.03 0.02 5 E H H 105.37 2.07 15.54 17.53 92.03 50.23 -65.07 -40.07 3.12 0.03 96.85 1.17 0.41 1.51 94.03 2.86 0.00 0.02 0.01 6 K H H 87.06 6.75 14.01 22.12 92.36 50.84 -65.58 -40.19 2.34 0.02 97.64 0.80 0.31 1.16 95.55 2.16 0.00 0.01 0.00 7 Q H H 76.74 7.28 13.86 22.55 92.04 52.59 -64.47 -40.15 2.73 0.02 97.25 0.78 0.30 1.53 94.55 2.82 0.00 0.01 0.01 8 K H H 125.19 1.86 16.83 18.29 91.85 51.09 -64.84 -40.03 4.48 0.03 95.49 0.86 0.43 3.00 89.95 5.72 0.01 0.02 0.01 9 L H H 81.92 3.97 15.33 20.30 92.35 50.70 -65.42 -39.43 8.20 0.04 91.76 0.99 0.69 6.20 84.68 7.38 0.02 0.02 0.02 10 F H H 76.28 9.84 11.82 22.79 93.39 51.63 -71.05 -30.17 26.86 0.19 72.95 3.86 2.98 19.95 67.03 5.90 0.06 0.08 0.13 11 Q C T 105.11 4.83 12.74 18.98 96.45 57.71 -81.03 -6.16 61.25 0.80 37.95 20.80 6.37 34.50 33.32 4.12 0.02 0.31 0.56 12 E C C 120.41 3.26 11.52 16.24 104.83 88.94 -79.46 9.96 78.47 1.05 20.48 31.87 24.49 21.93 17.44 3.15 0.01 0.35 0.78 13 D C C 100.68 3.47 10.75 15.74 106.90 -66.52 -89.29 95.62 89.41 1.02 9.57 55.26 14.05 20.11 6.28 3.06 0.00 0.40 0.84 14 D C T 98.31 4.47 9.77 15.90 100.73 171.38 -87.12 9.33 95.63 0.42 3.96 27.73 25.26 42.97 1.47 2.10 0.00 0.18 0.28 15 E C S 155.25 1.48 12.92 14.72 97.77 -126.01 -55.61 5.88 97.69 0.43 1.87 20.66 39.25 37.97 0.42 1.27 0.00 0.22 0.20 16 I C S 73.78 6.70 8.76 17.56 116.84 108.41 -94.62 131.83 97.34 2.36 0.30 26.15 70.71 0.95 0.14 0.12 0.00 1.03 0.91 17 P C C 66.23 4.60 12.57 19.07 111.29 -106.67 -63.55 140.00 93.13 5.88 0.99 89.80 2.63 0.64 0.61 0.27 0.00 2.11 3.95 18 L H G 106.09 4.96 10.84 17.74 92.66 -130.08 -60.65 -33.98 26.16 0.32 73.52 4.26 3.86 16.95 22.48 52.10 0.01 0.19 0.14 19 Y H G 164.70 2.10 13.57 16.25 91.63 62.03 -68.72 -21.76 23.61 0.19 76.20 1.74 2.34 18.27 22.79 54.65 0.01 0.11 0.09 20 L H G 81.44 6.24 11.05 19.04 96.44 50.94 -93.26 -2.68 23.63 0.25 76.13 3.34 3.06 16.00 20.22 57.11 0.01 0.14 0.12 21 K C T 105.62 7.51 10.12 19.10 109.94 107.35 -73.62 133.79 78.17 0.51 21.31 11.10 10.86 55.76 14.41 7.12 0.02 0.21 0.53 22 G C T 56.85 1.71 14.18 15.95 102.69 17.83 86.49 -4.50 91.48 0.31 8.21 11.15 21.88 58.89 4.32 3.32 0.00 0.13 0.30 23 G C S 37.80 3.37 12.72 17.30 125.12 92.98 61.62 -164.51 70.17 0.48 29.35 14.12 47.25 6.75 30.15 1.21 0.01 0.09 0.42 24 V H H 121.01 1.25 13.26 14.39 93.13 -57.76 -64.77 -34.67 10.37 0.06 89.57 1.19 1.73 7.41 86.60 2.96 0.05 0.02 0.04 25 A H H 65.51 2.05 14.27 16.58 91.97 52.85 -64.63 -39.98 7.07 0.05 92.88 1.19 0.81 4.84 90.03 3.04 0.03 0.03 0.03 26 D H H 46.35 8.35 11.62 21.87 92.04 51.96 -64.51 -40.02 2.27 0.01 97.72 0.77 0.27 1.13 96.10 1.72 0.00 0.00 0.00 27 A H H 53.92 4.34 14.95 20.47 91.76 51.92 -63.65 -41.17 0.73 0.00 99.27 0.14 0.05 0.39 99.02 0.40 0.00 0.00 0.00 28 L H H 101.34 1.49 17.41 17.57 92.05 50.04 -64.59 -41.38 0.46 0.00 99.54 0.06 0.02 0.28 99.43 0.21 0.00 0.00 0.00 29 L H H 82.99 3.83 15.92 20.70 92.01 49.84 -64.89 -41.71 0.37 0.00 99.63 0.04 0.02 0.23 99.59 0.12 0.00 0.00 0.00 30 Y H H 93.41 8.32 14.37 23.94 91.92 50.61 -64.21 -41.78 0.29 0.00 99.71 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 31 R H H 135.45 2.65 17.68 20.28 91.68 50.67 -64.31 -41.17 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 32 A H H 59.64 2.01 18.20 19.35 91.68 50.01 -64.04 -42.10 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 33 T H H 51.29 7.08 15.53 24.08 92.01 49.50 -65.39 -41.03 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 34 M H H 84.05 6.48 16.32 23.77 91.74 51.32 -63.52 -41.51 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 35 I H H 104.50 1.64 19.21 19.33 91.92 49.69 -64.48 -41.96 0.11 0.00 99.89 0.00 0.00 0.08 99.88 0.03 0.00 0.00 0.00 36 L H H 91.47 3.05 18.24 21.33 92.11 49.13 -65.27 -41.44 0.24 0.00 99.76 0.01 0.01 0.18 99.75 0.05 0.00 0.00 0.00 37 T H H 50.35 8.78 15.44 25.31 92.10 50.07 -64.96 -41.84 0.57 0.00 99.43 0.04 0.03 0.42 99.44 0.07 0.00 0.00 0.00 38 V H H 82.67 3.22 18.99 22.08 91.89 48.99 -64.30 -41.98 0.39 0.00 99.61 0.03 0.02 0.28 99.61 0.07 0.00 0.00 0.00 39 G H H 39.64 1.94 19.24 20.02 91.77 49.75 -64.11 -42.24 0.34 0.00 99.66 0.03 0.02 0.22 99.66 0.07 0.00 0.00 0.00 40 G H H 28.22 5.66 16.36 23.35 91.97 50.49 -64.37 -41.57 0.40 0.00 99.60 0.05 0.02 0.25 99.60 0.09 0.00 0.00 0.00 41 T H H 63.79 5.62 16.91 23.36 92.07 50.23 -64.69 -41.18 0.33 0.00 99.67 0.04 0.02 0.21 99.67 0.07 0.00 0.00 0.00 42 A H H 61.14 2.05 18.40 19.60 91.73 50.59 -64.12 -41.78 0.29 0.00 99.71 0.03 0.01 0.19 99.72 0.05 0.00 0.00 0.00 43 Y H H 126.49 2.36 17.63 19.64 92.11 49.91 -65.09 -41.35 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.05 0.00 0.00 0.00 44 A H H 45.24 5.27 14.86 21.60 91.70 51.44 -63.61 -41.45 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 45 I H H 97.33 2.32 16.51 18.73 91.63 50.14 -63.89 -42.02 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 46 Y H H 136.08 1.84 16.10 17.56 92.03 50.03 -64.57 -41.47 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 47 E H H 102.97 2.92 14.98 18.52 92.05 50.27 -64.65 -41.11 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 48 L H H 91.55 2.69 14.56 17.56 92.01 49.58 -64.81 -41.08 0.15 0.00 99.85 0.01 0.00 0.11 99.82 0.06 0.00 0.00 0.00 49 A H H 60.76 2.08 14.02 16.46 91.97 50.41 -64.21 -41.36 0.34 0.00 99.66 0.02 0.01 0.26 99.49 0.22 0.00 0.00 0.00 50 V H H 88.07 2.52 13.00 16.31 92.62 49.56 -66.31 -38.63 1.71 0.00 98.29 0.07 0.07 1.48 97.62 0.76 0.00 0.00 0.00 51 A H H 72.26 2.41 11.65 15.08 92.18 55.07 -68.63 -26.57 12.32 0.00 87.67 0.27 0.41 11.68 86.64 1.00 0.00 0.00 0.00 52 S H H 85.00 1.37 11.41 13.02 94.94 52.47 -87.06 -11.63 45.63 0.05 54.32 1.42 2.82 39.93 54.30 1.46 0.02 0.01 0.04 53 F C S 126.27 3.68 7.65 13.46 115.11 86.08 -94.31 129.30 99.11 0.28 0.60 15.97 81.88 1.27 0.51 0.09 0.00 0.07 0.22 54 P C C 105.70 1.83 9.09 12.46 112.20 -111.83 -67.80 144.09 99.31 0.29 0.41 96.17 1.16 2.13 0.14 0.13 0.00 0.11 0.16 55 K C C 159.23 2.18 10.23 14.27 110.00 -116.06 -79.74 126.93 99.93 0.06 0.01 99.84 0.08 0.04 0.00 0.00 0.00 0.02 0.02