# 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 W C C 124.66 9.22 14.06 24.12 119.48 -169.90 -107.61 136.76 99.21 0.76 0.03 99.21 0.17 0.08 0.01 0.00 0.00 0.44 0.09 1 A C C 73.02 5.13 12.17 18.75 116.80 -149.71 -95.83 134.27 82.81 16.45 0.74 76.44 3.92 1.94 0.31 0.43 0.00 10.91 6.05 2 T C C 71.32 6.33 8.82 16.89 121.46 -157.70 -112.75 138.71 84.40 15.12 0.48 56.70 26.85 1.82 0.16 0.37 0.00 9.43 4.67 3 P C C 99.94 2.76 11.12 15.37 110.09 -104.67 -68.80 145.21 92.26 5.34 2.41 49.85 21.87 20.73 0.36 2.31 0.00 3.60 1.27 4 G C T 53.52 2.88 10.37 14.75 109.53 -0.99 83.36 -10.14 91.66 3.04 5.30 30.58 30.23 30.90 0.73 4.77 0.00 1.58 1.20 5 H C C 128.72 4.31 9.10 14.98 109.52 -58.92 -95.86 82.49 85.57 6.19 8.24 41.29 24.53 20.04 1.43 6.85 0.01 2.96 2.91 6 E C C 133.71 3.09 9.40 14.16 105.62 127.68 -88.11 39.24 84.99 7.21 7.80 43.72 27.31 14.20 1.63 6.09 0.01 3.54 3.52 7 E C C 139.81 2.27 11.62 15.13 111.04 57.80 -97.49 115.56 90.21 6.09 3.71 50.28 32.25 7.61 0.98 2.74 0.00 2.87 3.27 8 R C C 136.84 5.64 10.99 18.44 117.98 -120.40 -87.57 139.10 95.24 3.97 0.79 61.58 31.25 2.64 0.23 0.57 0.00 1.95 1.78 9 P C C 64.23 9.27 10.88 21.35 113.87 -104.74 -67.66 147.13 96.86 2.06 1.08 79.25 10.66 6.85 0.22 0.92 0.00 1.08 1.02 10 K C C 139.65 3.44 14.33 19.14 113.75 -156.65 -105.12 131.58 89.92 8.41 1.67 66.09 15.95 7.06 0.47 1.32 0.00 3.59 5.53 11 G C C 32.56 7.87 11.49 20.65 123.76 -127.61 -150.63 175.29 84.92 12.74 2.34 48.55 28.36 8.28 0.65 1.78 0.01 6.15 6.23 12 Y C C 127.32 5.12 13.25 19.57 119.00 -99.48 -97.34 151.92 64.41 27.88 7.71 39.77 18.18 5.60 2.91 4.28 0.15 8.63 20.49 13 F C T 125.50 6.48 11.45 19.01 99.27 -75.35 -72.51 -26.48 74.77 2.99 22.24 5.56 11.42 56.84 1.60 21.41 0.01 1.83 1.32 14 M C T 110.62 5.39 11.11 17.78 99.35 32.61 -83.88 12.26 74.84 1.27 23.89 3.67 9.66 59.71 1.32 24.23 0.00 0.73 0.68 15 N C C 121.54 2.52 12.25 16.16 98.93 -117.93 55.66 31.76 76.82 5.72 17.45 30.85 24.79 20.88 1.73 15.92 0.02 2.49 3.31 16 R C C 119.58 5.52 9.87 17.41 121.08 142.42 -99.73 144.07 89.88 9.29 0.82 69.32 18.79 1.37 0.32 0.52 0.00 3.23 6.46 17 T C C 106.93 1.85 13.85 16.58 114.87 -117.76 -87.40 131.63 96.23 3.69 0.07 86.10 10.20 0.19 0.02 0.05 0.00 1.58 1.86 18 P C C 66.67 10.38 9.01 20.20 116.88 -109.45 -69.11 148.15 99.19 0.77 0.03 95.84 3.25 0.13 0.01 0.02 0.00 0.27 0.48 19 P C C 66.88 5.74 10.07 17.93 116.63 -105.61 -66.17 152.70 99.30 0.65 0.05 96.85 2.25 0.11 0.02 0.02 0.00 0.15 0.61 20 A C C 79.83 1.67 11.92 14.25 115.61 -98.35 -65.82 151.48 99.47 0.39 0.13 93.80 4.96 0.53 0.04 0.08 0.00 0.10 0.49 21 P C T 118.58 1.69 8.83 12.14 109.94 -81.61 -60.33 135.51 99.05 0.14 0.81 1.66 5.54 91.80 0.05 0.79 0.00 0.06 0.09 22 G C T 67.48 0.45 10.54 9.82 96.59 17.70 84.57 -1.40 99.08 0.08 0.84 2.05 5.08 91.85 0.05 0.89 0.00 0.05 0.03 23 Q C C 111.35 2.96 8.10 13.20 121.05 111.30 -96.90 147.66 95.29 4.11 0.60 68.87 24.90 1.12 0.16 0.47 0.00 1.40 3.08 24 S C C 87.95 1.67 10.52 13.51 120.06 -142.16 -100.23 147.11 92.50 7.12 0.37 89.04 3.12 0.56 0.11 0.21 0.00 4.51 2.44 25 R C C 126.62 7.98 7.80 16.99 116.50 -121.95 -87.64 138.98 78.84 20.22 0.94 74.30 3.33 0.61 0.50 0.42 0.00 12.31 8.52 26 K C C 147.16 1.87 12.96 15.70 117.03 -134.57 -92.56 137.90 85.25 12.85 1.90 79.43 4.34 1.27 0.92 0.93 0.00 10.04 3.07 27 W C C 157.28 6.11 8.45 16.38 114.11 -113.54 -81.21 134.62 84.94 9.88 5.18 76.17 5.71 2.76 2.55 2.55 0.00 6.73 3.53 28 E C C 97.78 4.72 9.68 16.22 119.61 -160.16 -101.10 150.24 82.55 4.52 12.93 67.65 9.18 5.32 6.25 6.77 0.00 2.56 2.28 29 D C G 122.75 1.01 11.59 12.66 94.04 -105.60 -60.57 -33.65 51.02 0.98 48.00 8.70 8.80 33.27 11.16 36.98 0.05 0.53 0.51 30 W H G 167.53 2.44 11.09 14.58 94.53 56.26 -77.81 -16.25 49.68 0.48 49.84 5.06 6.23 36.69 13.65 37.77 0.04 0.25 0.29 31 E H H 67.36 9.16 9.41 19.75 94.91 66.64 -72.55 -28.77 28.73 0.72 70.54 8.53 5.14 14.84 38.12 32.52 0.10 0.36 0.39 32 L H H 86.30 3.93 12.81 18.22 93.28 65.90 -63.41 -41.89 6.22 0.03 93.75 2.02 1.29 2.90 92.40 1.36 0.01 0.01 0.01 33 P H H 82.40 1.69 15.09 16.21 92.27 50.12 -64.74 -40.01 2.91 0.01 97.08 0.53 0.28 1.94 95.91 1.32 0.00 0.00 0.00 34 C H H 63.32 3.83 13.44 18.61 92.38 49.93 -66.17 -40.03 1.38 0.01 98.61 0.22 0.12 0.96 97.47 1.22 0.00 0.00 0.00 35 Y H H 104.25 5.46 12.94 19.93 92.42 50.35 -65.36 -41.28 1.19 0.01 98.80 0.16 0.10 0.86 98.15 0.73 0.00 0.00 0.00 36 I H H 101.76 1.82 15.40 16.89 92.24 48.86 -64.89 -41.49 2.16 0.01 97.83 0.15 0.14 1.83 97.20 0.67 0.01 0.00 0.00 37 T H H 76.75 1.99 15.02 16.94 92.27 48.83 -65.68 -40.22 6.35 0.01 93.65 0.26 0.31 5.91 92.75 0.76 0.01 0.00 0.01 38 S H H 52.51 4.38 13.50 19.35 92.57 50.26 -65.62 -40.03 9.72 0.01 90.27 0.38 0.48 8.82 89.56 0.73 0.01 0.00 0.01 39 F H H 114.23 2.74 14.89 18.13 92.27 50.41 -65.17 -41.35 3.11 0.00 96.88 0.20 0.23 2.64 96.53 0.40 0.00 0.00 0.00 40 L H H 95.27 1.74 15.71 16.90 92.01 50.10 -64.71 -41.24 0.70 0.00 99.30 0.09 0.05 0.47 99.22 0.18 0.00 0.00 0.00 41 T H H 68.35 2.95 14.63 18.36 92.19 50.09 -65.24 -40.97 0.25 0.00 99.75 0.04 0.01 0.15 99.71 0.09 0.00 0.00 0.00 42 I H H 90.50 3.48 14.75 19.10 92.15 49.42 -65.18 -41.28 0.09 0.00 99.91 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 43 V H H 86.85 2.16 15.47 17.63 91.93 50.06 -64.54 -41.80 0.08 0.00 99.92 0.00 0.00 0.06 99.89 0.05 0.00 0.00 0.00 44 I H H 103.93 1.68 15.98 17.03 92.20 48.59 -65.07 -41.19 0.15 0.00 99.85 0.01 0.00 0.12 99.81 0.06 0.00 0.00 0.00 45 L H H 89.07 3.12 14.75 18.59 92.12 49.51 -65.35 -40.86 0.33 0.00 99.67 0.02 0.01 0.25 99.59 0.13 0.00 0.00 0.00 46 G H H 34.94 3.60 13.89 18.64 92.31 51.15 -64.39 -41.37 0.96 0.00 99.03 0.07 0.05 0.75 98.78 0.34 0.00 0.00 0.00 47 V H H 89.65 1.63 15.71 16.64 92.05 49.32 -65.22 -40.79 1.27 0.00 98.73 0.07 0.07 1.05 98.24 0.57 0.00 0.00 0.00 48 G H H 36.96 2.63 14.32 17.65 92.24 50.51 -64.84 -40.40 1.78 0.00 98.22 0.14 0.12 1.39 96.73 1.62 0.00 0.00 0.00 49 L H H 84.96 4.81 12.47 18.83 92.42 51.27 -66.63 -36.32 4.04 0.01 95.95 0.20 0.21 3.50 91.17 4.90 0.01 0.00 0.00 50 N H H 108.62 2.59 13.34 16.89 92.17 55.11 -70.46 -25.64 12.58 0.01 87.40 0.42 0.56 11.57 83.74 3.68 0.02 0.00 0.01 51 A H H 84.45 1.51 13.23 14.67 95.69 54.56 -86.03 -9.61 34.35 0.16 65.50 2.40 5.03 27.00 62.12 3.15 0.10 0.05 0.15 52 K C C 110.30 5.48 10.07 17.47 112.92 94.45 -92.64 121.61 99.30 0.45 0.25 61.29 37.39 0.62 0.13 0.09 0.00 0.11 0.37 53 P C T 91.89 3.97 12.12 17.69 108.87 -133.97 -68.94 137.05 97.28 0.51 2.21 31.65 11.64 53.97 0.31 1.92 0.00 0.29 0.21 54 D C T 100.49 4.72 11.90 18.33 109.71 -108.66 -84.81 114.46 97.07 0.56 2.37 29.20 12.36 55.39 0.32 2.17 0.00 0.31 0.24 55 L C C 82.84 7.99 11.53 20.96 108.96 170.36 -103.43 81.07 95.55 1.25 3.21 67.58 23.46 4.02 0.70 2.71 0.00 0.45 1.06 56 S C C 53.23 3.97 16.49 21.08 122.58 -128.21 -88.60 164.67 94.78 3.22 1.99 66.64 26.87 0.68 1.72 0.29 0.00 0.60 3.21 57 I H H 89.12 8.98 12.87 22.87 91.61 -104.43 -60.55 -37.04 3.38 0.01 96.61 0.58 0.65 1.95 96.13 0.68 0.00 0.00 0.00 58 E H H 116.45 3.82 15.93 20.48 92.03 53.41 -64.65 -39.70 2.42 0.01 97.57 0.31 0.23 1.68 97.04 0.74 0.00 0.00 0.00 59 T H H 57.66 3.86 15.99 20.95 92.48 49.20 -65.53 -41.26 1.35 0.00 98.65 0.23 0.13 0.85 98.10 0.69 0.00 0.00 0.00 60 W H H 96.32 5.72 15.84 22.81 92.20 50.29 -63.97 -42.33 0.41 0.00 99.58 0.07 0.03 0.23 99.44 0.22 0.00 0.00 0.00 61 A H H 37.85 7.16 15.15 23.81 91.72 50.20 -64.00 -41.56 0.41 0.00 99.59 0.06 0.03 0.24 99.55 0.12 0.00 0.00 0.00 62 H H H 101.86 4.29 16.94 21.76 92.16 50.46 -65.07 -40.92 0.31 0.00 99.69 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 63 Q H H 101.34 2.43 17.89 20.04 92.31 50.05 -65.16 -41.39 0.25 0.00 99.75 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 64 K H H 101.29 3.36 17.04 20.62 92.00 49.53 -65.08 -40.79 0.32 0.00 99.68 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 65 A H H 38.61 5.24 13.61 20.67 91.69 50.93 -63.73 -41.41 0.41 0.00 99.59 0.08 0.02 0.21 99.62 0.07 0.00 0.00 0.00 66 L H H 84.22 2.62 14.47 17.74 91.78 50.31 -64.33 -40.34 0.61 0.00 99.38 0.12 0.03 0.33 99.33 0.18 0.00 0.00 0.00 67 E H H 109.18 1.67 13.68 15.26 92.09 51.14 -64.69 -40.01 1.32 0.00 98.67 0.23 0.08 0.80 98.41 0.47 0.00 0.00 0.00 68 R H H 145.05 2.01 11.73 14.40 92.51 50.84 -66.31 -37.89 4.95 0.01 95.03 0.59 0.29 3.62 94.46 1.03 0.00 0.00 0.00 69 L H H 113.57 2.23 9.66 13.04 93.37 52.30 -70.58 -29.03 19.41 0.06 80.52 2.18 1.26 15.27 79.87 1.35 0.01 0.02 0.04 70 E C H 146.70 1.19 9.64 11.49 95.99 57.67 -76.02 -14.66 53.61 0.23 46.17 17.09 1.22 32.11 47.98 1.37 0.00 0.08 0.15 71 M C C 124.49 2.98 9.93 14.44 101.52 78.15 -79.86 -0.33 99.90 0.03 0.07 99.64 0.13 0.16 0.05 0.00 0.00 0.01 0.01