# 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 F C C 82.58 13.80 14.45 28.07 119.27 -166.90 -101.77 131.96 99.53 0.46 0.01 99.46 0.19 0.03 0.00 0.00 0.00 0.24 0.06 1 R C C 115.11 7.32 13.30 22.12 120.10 -160.09 -106.56 132.77 91.69 8.14 0.16 91.08 1.19 0.23 0.07 0.05 0.00 5.42 1.96 2 P C C 82.26 5.69 13.11 20.35 112.61 -109.31 -66.71 148.16 83.76 13.47 2.77 76.44 4.34 2.62 1.43 1.16 0.00 9.92 4.09 3 R C C 121.95 8.39 11.11 20.63 111.35 -111.51 -80.20 126.70 92.15 1.80 6.04 78.65 9.16 4.55 3.36 2.43 0.00 1.00 0.85 4 S C C 59.16 7.20 11.97 20.52 102.69 -124.36 -72.05 1.22 74.08 1.97 23.94 56.06 8.87 8.98 12.67 11.36 0.00 1.04 1.02 5 T C C 77.79 6.54 12.42 20.06 100.34 71.89 -81.41 -14.28 63.71 2.00 34.29 40.21 12.00 11.43 19.44 14.89 0.01 0.98 1.04 6 H C C 112.13 6.25 12.60 20.04 99.37 61.08 -83.67 -7.29 59.05 2.20 38.75 35.41 11.50 12.12 24.03 14.76 0.02 1.11 1.06 7 Q C C 93.14 7.40 11.85 20.53 103.97 83.64 -81.12 22.89 57.74 1.49 40.77 34.80 12.70 10.64 29.71 10.68 0.02 0.70 0.74 8 E C C 117.92 4.40 14.11 19.74 106.66 55.43 -83.66 84.23 59.79 1.25 38.96 37.54 13.25 9.36 30.80 7.85 0.01 0.58 0.61 9 V C H 68.61 10.70 10.98 22.22 105.85 55.50 -84.87 45.40 51.23 1.53 47.24 30.38 9.33 11.87 34.18 12.74 0.01 0.78 0.71 10 T C H 81.77 6.63 13.94 21.65 103.36 76.98 -85.63 -8.74 51.15 2.00 46.86 27.50 10.80 13.19 31.23 15.31 0.03 1.02 0.91 11 E C C 116.22 5.08 16.39 22.52 110.02 61.16 -94.87 108.29 55.48 3.45 41.07 30.17 12.90 12.87 26.16 14.59 0.07 1.86 1.39 12 M C C 87.52 10.99 16.72 27.88 116.25 -121.94 -89.07 138.24 65.44 6.53 28.03 42.92 12.10 10.33 18.76 9.32 0.04 3.55 2.99 13 A C C 16.95 20.94 12.93 33.10 114.21 -124.08 -86.33 132.51 83.81 5.63 10.56 67.17 11.69 4.06 8.22 2.83 0.00 2.77 3.25 14 D C C 66.29 7.22 22.48 29.92 111.31 -153.41 -102.13 112.32 91.17 3.04 5.79 84.98 4.03 2.31 3.67 1.74 0.00 1.37 1.89 15 F C T 48.51 19.99 13.01 32.43 93.88 -161.22 -69.58 -16.38 74.70 0.65 24.65 7.72 8.71 57.95 6.24 18.59 0.01 0.37 0.42 16 K C T 134.89 4.25 18.55 23.85 92.71 66.04 -77.10 -14.53 76.89 0.53 22.57 5.82 10.47 60.44 5.55 17.03 0.01 0.29 0.39 17 N C C 66.56 8.22 15.65 25.26 106.70 72.94 -106.44 87.52 82.19 2.16 15.64 60.44 13.31 7.68 5.72 10.30 0.00 0.86 1.70 18 V H H 55.74 15.64 12.58 28.05 93.85 172.70 -66.16 -33.44 10.16 0.10 89.74 4.32 1.74 4.56 82.77 6.51 0.01 0.05 0.05 19 S H H 76.67 1.96 20.06 21.42 91.69 60.64 -63.94 -38.15 4.56 0.03 95.41 0.53 0.45 3.36 86.86 8.76 0.01 0.02 0.01 20 F H H 47.46 11.93 17.63 30.58 92.48 50.54 -66.13 -40.80 1.99 0.02 98.00 0.25 0.18 1.45 90.25 7.85 0.00 0.01 0.00 21 L H H 5.06 25.25 13.49 38.85 91.34 52.14 -64.51 -40.62 1.51 0.01 98.48 0.20 0.14 1.05 91.41 7.19 0.00 0.01 0.00 22 T H H 69.37 10.34 20.37 30.78 91.21 55.75 -65.16 -32.49 6.41 0.03 93.55 0.40 0.37 5.28 77.66 16.25 0.02 0.02 0.01 23 Q H H 109.19 4.04 23.84 28.12 91.81 56.98 -71.50 -26.40 25.15 0.05 74.80 0.57 1.03 23.30 60.36 14.64 0.04 0.02 0.04 24 F H H 16.02 21.16 16.54 38.10 96.83 47.29 -97.36 -8.92 45.17 0.23 54.60 1.97 3.35 38.42 44.04 11.84 0.08 0.12 0.18 25 L E B 24.19 20.47 14.09 34.39 120.52 91.15 -92.22 140.07 8.42 91.38 0.20 3.90 1.39 0.03 0.16 0.01 0.00 5.58 88.92 26 S C C 28.20 10.22 14.97 26.95 123.26 -125.15 -77.51 168.61 98.78 1.16 0.06 98.78 0.26 0.09 0.01 0.02 0.00 0.59 0.25 27 P C T 121.53 1.72 15.66 18.09 90.04 -91.03 -62.91 -21.91 98.83 0.31 0.87 0.41 3.54 94.91 0.02 0.85 0.00 0.20 0.07 28 A C T 72.46 3.33 17.60 21.37 92.36 57.36 -86.63 -2.24 98.95 0.10 0.95 0.20 2.93 95.81 0.02 0.97 0.00 0.05 0.03 29 G C S 13.89 16.96 13.94 31.00 96.04 -106.04 83.54 9.57 99.19 0.28 0.54 10.28 87.13 1.87 0.03 0.46 0.00 0.11 0.13 30 R C C 105.21 6.70 22.94 30.54 121.94 133.79 -92.56 147.44 95.23 4.68 0.09 75.31 19.94 0.26 0.04 0.05 0.00 1.91 2.50 31 I E B 18.32 22.48 15.34 37.97 112.99 -113.46 -81.59 130.46 10.92 88.97 0.11 7.62 1.01 0.03 0.12 0.01 0.00 12.38 78.82 32 Q C C 40.60 13.90 19.03 33.65 115.97 -126.61 -79.75 140.94 93.54 6.37 0.08 92.34 1.87 0.09 0.05 0.03 0.00 4.89 0.73 33 P C C 45.80 9.12 20.10 30.27 114.15 -107.03 -66.95 148.71 93.49 4.64 1.87 90.48 2.44 0.61 1.63 0.29 0.00 2.37 2.19 34 R H H 99.23 14.37 13.07 27.26 92.13 -115.82 -60.22 -33.36 23.01 0.29 76.70 2.38 3.32 17.07 63.56 13.12 0.22 0.13 0.20 35 R H H 171.51 1.79 17.65 19.38 91.63 60.08 -67.01 -29.65 22.40 0.29 77.31 1.86 2.63 17.02 62.93 14.95 0.27 0.15 0.18 36 V H H 74.63 7.73 16.25 24.85 98.09 43.24 -85.84 -29.07 25.24 0.52 74.24 2.43 4.49 18.28 61.27 12.44 0.49 0.24 0.36 37 T H H 21.60 18.50 11.67 29.47 103.45 45.71 -97.24 -7.32 44.09 0.97 54.94 11.79 15.25 19.76 48.93 2.99 0.22 0.30 0.76 38 K C C 152.31 2.37 21.23 23.54 95.54 -126.29 63.20 31.11 98.43 0.43 1.14 49.37 15.07 34.20 0.47 0.48 0.00 0.20 0.20 39 L C C 21.98 20.24 8.67 27.86 121.05 143.62 -86.71 148.44 98.52 1.21 0.27 79.93 17.89 0.51 0.16 0.09 0.00 0.37 1.05 40 T C C 71.05 2.64 20.10 21.82 120.55 -112.05 -74.73 162.55 99.07 0.77 0.16 97.94 1.12 0.09 0.10 0.02 0.00 0.20 0.52 41 E H H 119.91 6.10 14.27 22.12 91.44 -104.46 -57.54 -39.55 1.58 0.00 98.42 0.35 0.27 0.71 98.45 0.22 0.00 0.00 0.00 42 P H H 85.19 2.05 19.58 20.73 91.52 51.80 -63.52 -40.58 0.77 0.00 99.22 0.10 0.06 0.50 99.06 0.28 0.00 0.00 0.00 43 L H H 39.29 12.55 17.11 30.54 92.05 48.42 -66.24 -40.52 0.23 0.00 99.77 0.03 0.01 0.13 99.61 0.21 0.00 0.00 0.00 44 Q H H 27.47 18.84 15.71 34.24 91.55 52.37 -62.35 -42.51 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 45 R H H 126.50 4.38 23.34 27.84 91.36 50.07 -63.81 -41.35 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 46 R H H 104.66 6.81 24.07 31.06 91.55 49.44 -64.72 -41.69 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 47 I H H 7.44 23.15 19.72 42.70 91.63 49.51 -64.86 -42.49 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 48 A H H 19.32 15.92 22.55 38.32 91.36 51.34 -62.84 -42.62 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 49 K H H 105.50 3.75 27.40 31.10 91.56 49.75 -64.18 -41.76 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 50 S H H 14.09 15.40 22.54 38.39 91.70 50.44 -64.03 -42.61 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 51 V H H 6.53 23.79 20.81 44.19 91.64 49.86 -64.02 -43.06 0.11 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 52 K H H 86.81 9.87 25.23 35.11 91.41 50.75 -63.04 -42.20 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 53 L H H 66.97 6.46 25.22 32.14 91.61 49.48 -64.65 -41.73 0.22 0.00 99.78 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 54 A H H 7.29 18.33 18.72 37.86 91.92 51.14 -63.43 -42.49 0.26 0.00 99.74 0.03 0.01 0.17 99.65 0.14 0.00 0.00 0.00 55 R H H 65.41 14.95 19.28 33.75 91.87 50.92 -64.09 -41.60 0.52 0.00 99.48 0.05 0.02 0.38 99.30 0.24 0.00 0.00 0.00 56 N H H 84.79 5.59 20.59 26.74 92.37 50.14 -66.43 -38.11 1.32 0.00 98.68 0.07 0.05 1.13 98.47 0.28 0.00 0.00 0.00 57 M H H 82.84 8.49 17.99 27.03 93.76 48.88 -74.53 -30.60 7.99 0.01 91.99 0.19 0.29 7.86 91.10 0.54 0.01 0.00 0.01 58 A C T 48.21 11.71 17.17 28.52 97.86 41.20 -82.56 -18.02 52.17 0.08 47.75 0.64 1.77 49.24 47.16 1.07 0.03 0.02 0.07 59 L C T 79.80 9.53 16.99 26.83 100.11 57.85 -86.33 -9.64 77.92 0.48 21.60 3.94 10.93 60.88 21.60 2.05 0.04 0.16 0.40 60 M C S 74.29 11.05 13.57 25.12 108.14 76.88 -89.99 106.07 77.78 1.70 20.52 29.46 29.89 18.97 13.07 6.68 0.04 0.66 1.24 61 A C T 62.24 6.49 14.54 22.29 104.17 -139.12 -70.32 70.35 74.76 1.15 24.09 27.28 17.46 30.55 12.32 11.09 0.02 0.51 0.77 62 G C C 45.30 6.00 14.82 21.79 101.22 39.23 -43.64 -6.04 70.75 1.56 27.68 27.44 17.66 26.62 14.85 11.74 0.04 0.66 1.00 63 E C C 100.16 7.72 13.70 22.44 101.23 87.32 -81.94 -9.62 61.51 1.81 36.68 37.42 12.84 11.56 24.74 11.66 0.02 0.82 0.94 64 A C C 52.78 7.97 13.37 22.56 106.19 87.84 -78.71 -24.72 57.61 1.71 40.68 37.01 10.91 10.03 29.38 11.06 0.02 0.85 0.75 65 R C C 120.62 6.54 14.91 22.55 105.23 59.20 -78.21 12.54 51.58 1.49 46.93 36.87 7.34 7.87 35.53 10.98 0.01 0.78 0.61 66 L H H 65.55 11.07 12.00 23.76 97.59 69.42 -70.58 -34.04 40.23 1.19 58.59 26.59 6.18 8.07 43.49 14.57 0.02 0.66 0.43 67 D H H 92.29 4.80 14.31 20.39 95.53 60.91 -70.99 -26.05 41.10 0.97 57.94 22.49 6.35 12.31 42.12 15.77 0.02 0.54 0.40 68 K H H 130.88 3.66 14.41 19.12 97.26 54.65 -81.33 -13.02 41.46 1.14 57.40 19.40 7.46 14.82 40.81 16.33 0.06 0.59 0.53 69 L C H 72.98 9.64 11.72 22.33 105.90 84.01 -85.38 58.36 52.09 1.42 46.49 26.73 13.83 12.74 35.96 9.35 0.05 0.62 0.71 70 H C C 113.76 5.77 14.38 21.33 104.55 62.44 -82.61 67.38 60.98 1.41 37.61 39.60 7.90 13.39 29.80 7.89 0.01 0.71 0.71 71 L H H 71.20 10.58 11.18 22.54 105.39 142.05 -83.72 46.59 48.25 1.26 50.49 30.33 8.84 9.72 36.99 12.92 0.01 0.63 0.56 72 T H H 85.50 4.89 14.33 20.38 102.29 78.92 -84.83 -13.01 47.71 1.35 50.94 21.78 9.02 17.25 37.22 13.34 0.07 0.73 0.59 73 R C H 142.42 4.71 14.66 20.51 102.88 52.52 -88.39 10.80 48.89 2.39 48.73 21.10 9.50 19.04 34.99 12.95 0.12 1.33 0.97 74 V C C 43.69 14.12 9.39 23.52 116.97 92.10 -96.20 135.98 62.20 3.80 34.01 38.97 15.76 8.05 29.53 4.29 0.03 1.57 1.79 75 R C C 126.69 3.19 15.64 19.38 117.09 -139.74 -86.92 159.98 67.27 2.11 30.62 54.66 7.60 3.73 30.68 1.60 0.00 0.85 0.88 76 Q H H 114.24 4.52 13.26 19.29 94.39 -106.35 -59.80 -41.30 5.08 0.08 94.84 2.32 1.06 1.91 93.69 0.95 0.01 0.04 0.02 77 E H H 116.48 2.37 15.69 18.09 92.88 51.11 -65.88 -40.27 2.72 0.05 97.23 0.91 0.37 1.42 96.27 0.98 0.01 0.03 0.01 78 E H H 79.21 5.28 15.27 22.02 92.19 49.65 -65.99 -40.23 2.19 0.05 97.76 0.86 0.28 1.05 96.70 1.05 0.00 0.04 0.01 79 L H H 43.61 8.94 13.52 24.42 92.05 51.35 -64.17 -41.86 1.24 0.02 98.74 0.49 0.16 0.53 98.37 0.43 0.00 0.01 0.00 80 H H H 97.63 3.63 17.31 21.47 91.83 50.56 -64.17 -41.31 1.28 0.02 98.70 0.44 0.12 0.61 98.45 0.36 0.00 0.01 0.00 81 R H H 123.72 2.98 17.53 20.69 92.13 50.30 -65.06 -41.15 1.36 0.02 98.62 0.37 0.13 0.74 98.36 0.40 0.00 0.01 0.00 82 Y H H 83.67 6.44 15.25 23.28 92.05 49.71 -65.61 -40.78 1.67 0.02 98.32 0.44 0.17 0.92 97.97 0.48 0.00 0.01 0.00 83 Q H H 85.42 4.96 15.72 21.88 92.19 51.39 -64.83 -40.17 3.34 0.03 96.63 0.83 0.34 1.97 96.09 0.74 0.00 0.01 0.01 84 L H H 85.43 3.21 14.26 18.40 92.42 50.77 -65.95 -39.50 6.37 0.07 93.56 1.72 0.78 3.76 92.49 1.18 0.01 0.03 0.02 85 K H H 118.87 2.89 13.65 17.46 92.82 51.47 -67.01 -37.65 10.54 0.15 89.31 3.96 1.62 5.15 87.14 1.98 0.01 0.08 0.06 86 K H H 119.41 3.68 11.95 16.99 93.55 53.16 -69.27 -33.65 21.49 0.29 78.22 6.94 2.84 12.03 74.56 3.32 0.03 0.15 0.13 87 S H H 76.32 2.61 11.00 14.85 95.64 56.31 -75.01 -21.25 39.53 0.64 59.82 13.55 4.46 22.25 55.48 3.61 0.03 0.30 0.32 88 V C C 103.17 3.00 8.59 13.17 102.11 65.35 -85.04 1.25 60.71 0.83 38.46 38.79 2.01 19.51 36.62 2.25 0.00 0.37 0.45 89 Q C C 130.70 2.54 10.96 15.02 107.30 72.06 -85.29 98.45 99.89 0.05 0.06 99.70 0.11 0.12 0.04 0.00 0.00 0.02 0.01