# 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 A C C 68.08 5.37 12.93 19.83 114.65 -119.48 -77.54 144.83 99.95 0.02 0.02 99.88 0.07 0.03 0.01 0.00 0.00 0.01 0.00 1 N C C 79.01 7.19 10.08 18.85 108.90 -123.33 -85.44 113.35 96.14 0.38 3.49 94.81 0.41 1.11 3.15 0.16 0.00 0.10 0.25 2 K H H 128.98 3.10 13.18 17.47 95.71 -164.10 -70.00 -29.94 26.02 0.27 73.71 15.97 5.52 4.09 73.52 0.64 0.00 0.06 0.19 3 V H H 62.27 8.22 12.17 21.67 92.93 55.49 -65.36 -41.82 2.62 0.01 97.37 0.85 0.37 1.12 97.29 0.35 0.00 0.00 0.00 4 I H H 81.26 3.86 14.51 19.55 91.96 49.87 -64.56 -41.47 1.02 0.01 98.97 0.33 0.11 0.48 98.72 0.37 0.00 0.00 0.00 5 Q H H 94.18 2.24 16.14 18.34 91.61 50.48 -64.33 -41.11 0.45 0.00 99.54 0.13 0.04 0.22 99.35 0.26 0.00 0.00 0.00 6 L H H 63.94 6.74 14.58 22.92 91.90 50.45 -64.90 -41.22 0.36 0.00 99.64 0.07 0.03 0.19 99.59 0.12 0.00 0.00 0.00 7 Q H H 70.19 7.93 14.45 23.74 92.15 51.62 -64.02 -40.69 0.49 0.00 99.50 0.08 0.03 0.30 99.43 0.16 0.00 0.00 0.00 8 K H H 118.05 2.12 17.23 18.98 91.71 50.79 -64.54 -41.08 1.04 0.00 98.96 0.13 0.06 0.74 98.62 0.44 0.00 0.00 0.00 9 I H H 85.53 3.21 15.97 19.80 91.91 49.76 -64.58 -41.42 2.14 0.01 97.85 0.24 0.14 1.56 97.20 0.85 0.00 0.00 0.00 10 F H H 67.82 9.84 11.81 22.96 92.68 49.50 -66.59 -37.51 7.31 0.03 92.66 1.09 0.64 5.17 91.49 1.57 0.01 0.01 0.01 11 Q H H 106.70 5.07 12.96 19.31 92.24 55.02 -69.31 -23.38 28.63 0.07 71.30 3.45 2.23 21.82 70.82 1.58 0.01 0.02 0.05 12 S C H 90.15 1.07 14.01 14.29 96.93 52.29 -87.82 -7.91 54.81 0.18 45.01 9.14 8.72 35.24 45.05 1.65 0.02 0.05 0.14 13 S C C 50.45 7.27 8.36 17.24 119.89 87.52 -97.80 142.26 95.29 0.28 4.44 57.41 28.43 9.19 3.74 0.87 0.00 0.08 0.29 14 T C C 117.68 1.32 11.79 13.68 98.08 -155.75 -91.48 -0.71 98.66 0.20 1.13 54.92 35.32 8.50 0.49 0.55 0.00 0.07 0.15 15 K C S 125.34 2.91 11.31 16.04 118.13 97.79 -90.13 140.53 99.17 0.36 0.46 35.07 63.14 1.09 0.23 0.15 0.00 0.12 0.19 16 P C C 70.89 6.06 10.86 18.84 110.76 -103.64 -65.42 138.73 96.03 0.96 3.01 92.34 2.69 1.59 1.15 1.20 0.00 0.37 0.67 17 L H G 97.90 5.64 10.75 18.16 94.73 -137.36 -66.94 -30.22 44.15 1.29 54.56 24.22 8.13 11.89 8.47 46.10 0.00 0.73 0.46 18 W H G 161.27 3.57 11.93 16.80 93.44 64.22 -72.05 -24.21 38.37 2.07 59.56 13.57 8.84 17.87 9.42 48.37 0.02 1.28 0.63 19 W H G 141.31 4.90 10.88 17.44 98.50 54.76 -89.62 1.20 41.18 2.67 56.15 22.17 7.87 12.27 9.07 46.22 0.01 1.59 0.80 20 R C C 131.65 5.45 10.71 17.84 98.03 95.67 -74.38 -23.49 78.85 2.31 18.84 46.92 21.09 10.89 9.81 8.77 0.01 0.97 1.55 21 H C S 107.40 3.62 10.96 16.19 121.56 50.74 -108.04 143.44 93.84 1.45 4.71 39.88 48.91 5.08 3.08 1.45 0.00 0.50 1.09 22 P C T 104.60 2.12 11.65 14.63 98.94 -102.36 -63.84 -26.43 67.37 0.53 32.11 13.16 13.27 40.85 18.42 13.60 0.03 0.23 0.44 23 R C T 154.91 2.62 11.48 15.08 98.25 52.87 -79.34 -11.26 62.95 0.70 36.34 15.28 10.24 37.42 22.73 13.43 0.04 0.31 0.55 24 S H H 43.27 6.02 10.53 18.53 97.96 65.72 -71.94 -29.80 40.15 0.69 59.15 27.64 4.80 8.26 43.67 14.94 0.00 0.32 0.38 25 A H H 62.35 4.53 12.19 18.35 92.94 63.16 -63.85 -38.39 8.56 0.08 91.36 2.15 1.07 4.76 75.19 16.75 0.01 0.04 0.03 26 L H H 113.51 1.32 14.95 15.55 92.11 52.46 -66.02 -39.21 5.91 0.03 94.07 0.57 0.42 4.26 77.60 17.12 0.01 0.02 0.01 27 Y H H 125.58 3.19 14.31 18.28 93.65 48.54 -67.61 -39.38 7.91 0.03 92.06 0.62 0.53 5.97 75.40 17.44 0.01 0.02 0.01 28 L H H 61.72 7.62 12.26 21.54 92.64 51.74 -65.55 -40.85 3.96 0.01 96.04 0.50 0.51 2.73 94.95 1.30 0.00 0.00 0.00 29 Y H H 127.09 2.72 15.90 18.96 92.20 51.68 -64.02 -41.57 0.92 0.00 99.08 0.13 0.06 0.58 98.92 0.30 0.00 0.00 0.00 30 P H H 74.21 2.19 16.37 18.36 91.81 49.72 -64.38 -41.26 0.41 0.00 99.59 0.05 0.02 0.28 99.39 0.26 0.00 0.00 0.00 31 F H H 95.99 5.21 15.14 21.55 92.44 49.27 -65.71 -41.32 0.13 0.00 99.87 0.01 0.00 0.09 99.75 0.14 0.00 0.00 0.00 32 Y H H 115.10 4.74 15.76 21.34 91.96 49.72 -64.91 -41.17 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 33 A H H 59.94 2.02 16.86 18.37 91.84 49.98 -63.84 -42.01 0.10 0.00 99.90 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 34 I H H 89.84 3.14 16.40 20.05 92.01 49.36 -64.88 -41.64 0.12 0.00 99.88 0.00 0.00 0.10 99.84 0.05 0.00 0.00 0.00 35 F H H 94.84 6.00 15.52 22.55 92.16 49.42 -64.99 -41.41 0.17 0.00 99.83 0.00 0.00 0.14 99.77 0.07 0.00 0.00 0.00 36 A H H 58.87 2.65 17.32 19.86 91.86 50.04 -63.98 -42.02 0.30 0.00 99.70 0.01 0.01 0.26 99.57 0.15 0.00 0.00 0.00 37 V H H 85.37 2.12 17.97 19.43 92.14 49.00 -64.89 -41.63 0.56 0.00 99.44 0.02 0.02 0.53 99.13 0.31 0.00 0.00 0.00 38 A H H 43.85 6.33 15.08 22.99 92.14 50.80 -64.84 -41.01 2.49 0.00 97.51 0.05 0.07 2.46 96.85 0.56 0.00 0.00 0.00 39 V H H 79.25 4.29 17.25 21.94 92.43 48.64 -65.26 -41.04 10.39 0.00 89.60 0.13 0.27 10.59 88.31 0.69 0.01 0.00 0.00 40 V H H 84.82 1.96 18.47 19.44 92.24 49.39 -64.84 -42.00 4.08 0.01 95.91 0.24 0.40 3.27 95.41 0.68 0.01 0.00 0.00 41 T H H 62.50 4.37 16.58 21.91 92.03 50.48 -64.13 -41.80 2.07 0.00 97.92 0.25 0.15 1.45 93.89 4.26 0.00 0.00 0.00 42 P H H 56.02 6.85 15.12 23.38 91.89 50.32 -64.27 -40.64 1.18 0.00 98.82 0.08 0.05 0.91 94.41 4.54 0.00 0.00 0.00 43 L H H 99.11 2.24 17.95 19.67 91.97 50.29 -65.21 -41.00 1.17 0.00 98.82 0.05 0.05 1.00 94.96 3.94 0.00 0.00 0.00 44 L H H 94.70 2.63 17.49 20.05 92.57 49.68 -66.07 -40.77 9.30 0.01 90.70 0.18 0.28 9.24 88.44 1.84 0.01 0.00 0.00 45 Y H H 96.02 7.08 15.05 23.40 92.99 50.27 -66.64 -40.13 10.41 0.01 89.58 0.29 0.52 9.67 88.53 0.96 0.01 0.00 0.01 46 I H H 85.63 4.13 16.39 21.23 91.89 52.69 -63.15 -42.54 3.32 0.01 96.67 0.36 0.35 2.43 94.59 2.25 0.01 0.00 0.00 47 P H H 72.14 2.08 17.15 18.74 91.62 49.57 -63.77 -41.65 2.04 0.01 97.94 0.24 0.18 1.45 95.02 3.09 0.01 0.01 0.00 48 N H H 61.10 4.82 14.22 20.76 92.05 50.01 -64.84 -40.21 1.53 0.02 98.46 0.27 0.18 1.00 95.81 2.73 0.01 0.01 0.00 49 A H H 48.98 6.66 12.08 20.44 91.82 51.84 -64.38 -40.31 2.28 0.03 97.69 0.33 0.22 1.68 95.48 2.24 0.02 0.02 0.01 50 I H H 124.32 1.66 13.74 15.60 91.99 50.27 -67.64 -33.96 8.28 0.08 91.63 0.47 0.62 7.40 89.37 1.98 0.09 0.04 0.04 51 R C T 161.57 1.35 12.65 13.83 94.41 49.94 -87.28 -4.08 58.23 0.14 41.62 1.01 2.62 53.67 40.36 2.10 0.06 0.06 0.12 52 G C T 53.42 2.83 11.55 15.68 99.40 -109.12 77.63 12.74 96.74 0.12 3.14 5.84 5.81 85.21 2.48 0.54 0.00 0.06 0.06 53 I C C 98.41 4.33 10.22 16.45 108.89 137.29 -93.85 93.74 92.68 1.55 5.78 68.93 19.08 4.33 3.97 1.80 0.00 0.61 1.29 54 K C C 124.28 5.01 10.70 17.39 112.77 -130.88 -86.21 131.57 86.10 2.02 11.88 69.74 9.65 6.58 5.92 5.87 0.00 1.05 1.19 55 A C C 70.34 5.21 9.55 16.45 109.46 -132.79 -81.87 130.21 80.60 2.04 17.35 49.14 18.47 12.88 5.81 11.60 0.00 1.06 1.03 56 K C C 150.15 2.17 10.26 13.89 112.57 -116.58 -92.46 125.67 79.41 2.69 17.90 45.22 20.11 14.43 4.98 12.61 0.01 1.36 1.28 57 K C C 155.10 2.15 9.39 13.34 110.86 -113.44 -86.08 129.04 87.84 1.62 10.54 79.29 2.58 7.60 3.46 5.41 0.00 0.93 0.73 58 A C C 77.38 4.62 9.64 15.98 110.63 -120.56 -81.64 126.94 99.94 0.03 0.03 99.85 0.07 0.05 0.01 0.00 0.00 0.01 0.00