# 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 M C C 92.97 9.00 13.45 23.23 113.43 -161.90 -91.90 128.77 99.91 0.07 0.02 99.81 0.09 0.05 0.01 0.00 0.00 0.02 0.01 1 A C C 62.65 7.60 9.75 18.52 110.91 -136.17 -82.80 135.42 91.80 1.41 6.79 81.15 1.82 9.86 1.58 4.14 0.00 0.77 0.68 2 D C C 111.92 2.29 10.62 14.33 104.99 -109.80 -82.56 38.86 92.26 1.58 6.16 55.04 18.69 18.22 0.86 5.65 0.00 0.88 0.67 3 R C C 166.48 2.66 11.06 15.25 107.91 59.10 -88.15 90.42 92.35 2.03 5.62 61.62 19.44 10.84 0.89 5.08 0.00 1.02 1.10 4 F C C 95.95 9.99 7.93 18.59 116.81 -130.04 -96.61 135.29 98.14 1.34 0.52 71.39 25.64 1.02 0.18 0.29 0.00 0.44 1.04 5 P C C 97.34 2.60 14.30 17.85 115.17 -117.71 -76.34 147.52 99.65 0.26 0.08 90.31 9.12 0.25 0.03 0.04 0.00 0.09 0.16 6 P C C 85.01 6.66 12.00 20.33 114.74 -101.46 -68.37 148.41 99.42 0.16 0.42 91.05 7.59 0.79 0.17 0.24 0.00 0.06 0.11 7 P C C 67.62 10.65 11.23 22.66 111.90 -103.84 -67.18 148.22 98.47 0.34 1.19 91.82 4.75 1.93 0.29 0.86 0.00 0.15 0.20 8 K C C 146.40 3.24 16.15 20.69 108.75 -129.87 -85.46 124.84 95.74 2.13 2.13 82.18 10.98 2.48 0.57 1.56 0.00 1.13 1.12 9 M C C 71.89 14.34 12.67 26.81 115.81 -144.84 -95.43 125.35 91.99 6.68 1.32 83.00 7.52 1.58 0.45 0.86 0.00 4.59 2.01 10 V C C 78.87 8.26 20.47 29.04 114.60 -168.35 -100.18 127.59 80.23 18.90 0.87 73.99 4.98 0.60 0.55 0.38 0.00 10.24 9.25 11 A C C 10.74 22.21 11.56 33.14 119.00 -122.83 -91.13 141.11 94.78 4.82 0.40 89.81 5.11 0.30 0.27 0.12 0.00 2.83 1.56 12 T C C 58.61 4.26 22.60 26.42 124.61 -133.26 -86.91 165.48 97.21 2.09 0.70 95.61 1.80 0.24 0.60 0.08 0.00 0.84 0.84 13 Q H H 100.94 10.08 14.30 25.19 91.46 -103.21 -58.87 -38.33 2.62 0.01 97.37 0.64 0.56 1.24 97.09 0.45 0.00 0.00 0.00 14 E H H 128.98 1.25 19.84 19.21 91.64 53.05 -63.37 -40.68 1.83 0.01 98.16 0.42 0.25 1.05 97.71 0.57 0.01 0.00 0.00 15 E H H 52.76 10.39 16.57 28.23 92.10 49.01 -66.00 -40.38 1.02 0.01 98.97 0.32 0.13 0.52 98.33 0.69 0.00 0.01 0.00 16 M H H 10.13 21.62 11.55 33.03 91.58 50.52 -63.76 -42.45 0.92 0.01 99.08 0.24 0.09 0.48 98.53 0.64 0.00 0.00 0.00 17 D H H 92.66 3.90 18.48 23.27 91.87 49.93 -64.17 -40.13 3.29 0.01 96.70 0.31 0.18 2.57 95.95 0.98 0.00 0.00 0.00 18 N H H 114.38 1.87 18.96 20.41 91.20 52.51 -67.06 -28.56 12.76 0.01 87.23 0.44 0.51 12.00 85.94 1.09 0.01 0.00 0.01 19 A C T 22.65 16.37 13.01 29.52 95.11 56.72 -84.05 -3.83 82.43 0.04 17.53 1.28 3.65 76.55 17.29 1.17 0.00 0.01 0.05 20 D C T 114.62 2.30 21.55 23.71 94.39 -122.69 59.76 39.70 99.62 0.01 0.37 4.41 1.77 93.57 0.16 0.08 0.00 0.00 0.00 21 I C C 14.83 22.32 9.33 30.80 117.76 162.04 -88.80 135.55 99.79 0.18 0.03 82.75 16.93 0.07 0.01 0.01 0.00 0.04 0.18 22 P C C 58.39 4.59 20.59 25.74 112.83 -105.52 -64.19 142.06 99.81 0.10 0.08 99.66 0.18 0.04 0.02 0.02 0.00 0.03 0.06 23 Y H G 123.63 11.70 13.15 25.29 91.68 -120.14 -58.85 -35.43 10.19 0.04 89.77 0.76 0.92 6.94 1.25 90.09 0.00 0.03 0.00 24 K H G 147.94 2.14 19.19 21.67 90.37 62.62 -67.71 -20.14 9.85 0.04 90.12 0.33 0.62 7.63 1.04 90.34 0.00 0.02 0.00 25 Y H G 67.50 13.73 15.56 29.78 97.75 50.55 -99.49 1.52 10.84 0.10 89.06 1.52 1.42 6.14 1.44 89.41 0.00 0.06 0.01 26 R C C 45.41 20.18 14.67 33.63 103.43 97.51 -74.03 29.04 87.65 1.96 10.39 75.79 7.87 3.68 5.90 3.82 0.00 0.49 2.44 27 D C T 64.03 10.53 22.41 32.36 98.75 59.77 -67.73 -40.60 61.77 0.54 37.68 8.21 10.54 42.29 22.07 15.99 0.09 0.23 0.58 28 Y C T 106.20 10.16 23.73 33.48 96.48 5.20 -74.28 -18.76 61.00 0.27 38.74 2.14 6.61 51.33 26.38 13.03 0.09 0.12 0.31 29 C H H 10.35 21.17 20.43 40.83 97.89 55.15 -86.69 -24.88 43.22 0.70 56.08 9.40 4.90 28.41 42.97 13.37 0.08 0.31 0.56 30 A H H 9.53 20.72 20.38 40.77 91.88 77.47 -61.28 -41.43 3.10 0.01 96.89 0.43 0.28 2.12 90.06 7.10 0.00 0.01 0.00 31 H H H 86.17 8.39 25.76 34.60 91.85 52.54 -64.77 -39.69 1.88 0.00 98.11 0.11 0.09 1.57 90.84 7.38 0.00 0.00 0.00 32 L H H 33.33 14.45 23.71 38.02 92.18 50.10 -65.98 -41.46 2.01 0.01 97.99 0.12 0.11 1.69 90.99 7.08 0.00 0.00 0.00 33 I H H 8.98 22.08 20.66 42.31 92.41 50.45 -65.03 -42.79 1.20 0.00 98.79 0.12 0.10 0.89 97.93 0.96 0.00 0.00 0.00 34 I H H 35.78 12.19 22.48 35.34 91.70 50.74 -63.28 -42.93 0.38 0.00 99.62 0.05 0.02 0.26 99.28 0.39 0.00 0.00 0.00 35 D H H 63.79 6.57 24.15 30.97 91.64 50.03 -64.09 -40.48 0.31 0.00 99.69 0.03 0.01 0.22 99.42 0.32 0.00 0.00 0.00 36 F H H 21.74 18.35 18.63 37.00 91.98 50.29 -64.37 -42.29 0.21 0.00 99.79 0.01 0.01 0.15 99.56 0.27 0.00 0.00 0.00 37 K H H 67.81 12.81 20.27 32.92 91.79 50.88 -63.77 -41.00 0.52 0.00 99.48 0.04 0.02 0.39 99.33 0.22 0.00 0.00 0.00 38 E H H 96.90 3.24 22.37 25.02 91.90 49.80 -64.84 -40.87 2.58 0.00 97.41 0.12 0.12 2.27 96.81 0.68 0.00 0.00 0.00 39 C H H 23.60 10.22 16.08 28.31 92.03 50.24 -64.84 -40.64 6.21 0.02 93.77 0.60 0.50 4.94 91.89 2.04 0.01 0.01 0.01 40 R H H 69.75 13.63 13.66 27.48 92.56 52.85 -67.22 -36.25 13.72 0.19 86.10 2.64 1.69 9.70 81.79 3.92 0.06 0.08 0.12 41 Y H H 156.13 2.87 15.97 19.51 94.18 50.49 -73.25 -28.32 20.43 0.13 79.44 1.70 2.11 16.97 76.35 2.65 0.08 0.05 0.09 42 G H H 55.11 1.56 14.64 15.97 98.57 43.66 -89.37 -8.94 36.60 0.11 63.28 2.29 5.32 28.64 61.79 1.78 0.06 0.03 0.09 43 H C S 87.94 7.39 9.35 18.36 120.16 53.66 -119.17 128.24 91.82 0.77 7.41 31.34 49.19 10.51 6.89 1.16 0.00 0.21 0.71 44 P C C 97.59 2.85 11.52 15.73 109.45 -130.52 -75.07 133.59 89.51 0.88 9.61 50.39 16.95 22.32 3.73 5.60 0.00 0.40 0.60 45 L C C 105.04 3.75 10.38 15.69 111.27 29.91 -83.47 128.80 77.49 1.06 21.44 32.80 19.23 26.35 8.50 11.84 0.01 0.41 0.85 46 T C C 88.86 3.08 11.57 15.84 100.29 32.71 -73.33 -3.08 73.88 0.74 25.38 33.45 16.05 25.03 11.53 13.03 0.00 0.29 0.61 47 W C C 138.63 5.50 10.82 17.84 101.38 63.47 -79.98 -1.34 60.91 0.99 38.10 32.16 13.52 16.17 21.82 15.15 0.01 0.38 0.79 48 R H H 126.71 6.36 12.19 19.92 97.45 84.41 -68.93 -30.36 42.01 0.83 57.16 16.70 8.89 16.15 33.15 24.21 0.03 0.40 0.47 49 I H H 103.21 3.79 14.84 19.40 95.65 54.16 -72.17 -32.06 33.71 0.67 65.62 8.14 5.76 18.13 34.71 32.53 0.07 0.34 0.33 50 N H H 83.42 5.86 16.03 22.87 95.84 54.89 -74.39 -23.67 37.70 0.80 61.51 9.34 6.78 19.98 31.52 31.47 0.08 0.37 0.46 51 C C C 20.22 16.54 11.08 27.68 100.58 48.51 -99.61 8.83 56.61 1.03 42.36 33.09 7.83 16.40 22.79 18.66 0.01 0.44 0.79 52 A H H 57.46 5.30 16.86 23.62 93.53 116.64 -60.47 -41.12 5.76 0.03 94.21 2.68 1.08 2.05 92.72 1.45 0.00 0.01 0.01 53 H H H 122.48 2.05 19.78 21.02 92.28 50.00 -65.28 -40.08 2.10 0.01 97.89 0.41 0.22 1.32 96.72 1.33 0.00 0.00 0.00 54 E H H 45.29 12.04 16.59 29.66 92.30 49.86 -65.82 -40.85 1.23 0.01 98.76 0.28 0.11 0.72 97.72 1.17 0.00 0.00 0.00 55 L H H 44.68 12.81 16.30 29.84 91.92 51.41 -63.56 -41.63 0.58 0.00 99.42 0.15 0.05 0.28 99.18 0.34 0.00 0.00 0.00 56 H H H 98.71 2.81 21.37 23.43 91.94 49.86 -64.07 -41.73 0.43 0.00 99.57 0.09 0.03 0.24 99.48 0.17 0.00 0.00 0.00 57 H H H 92.77 4.75 20.75 25.75 92.01 49.68 -64.71 -41.73 0.42 0.00 99.58 0.05 0.02 0.27 99.45 0.20 0.00 0.00 0.00 58 Y H H 42.33 15.53 16.39 32.25 91.83 49.60 -64.34 -42.03 0.61 0.00 99.39 0.06 0.03 0.42 99.21 0.28 0.00 0.00 0.00 59 N H H 76.01 6.92 20.41 27.89 91.74 50.57 -64.27 -40.06 2.65 0.00 97.35 0.12 0.11 2.23 97.19 0.34 0.00 0.00 0.00 60 K H H 119.98 2.34 22.29 23.51 92.32 49.29 -65.87 -40.23 8.80 0.01 91.19 0.33 0.38 7.71 91.04 0.52 0.00 0.00 0.00 61 C H H 29.10 10.25 17.80 29.60 92.75 51.56 -64.50 -41.67 5.22 0.01 94.77 1.28 0.55 2.78 94.83 0.55 0.00 0.00 0.01 62 S H H 33.87 10.92 18.37 30.13 91.97 51.55 -64.05 -41.03 1.56 0.01 98.43 0.32 0.12 0.92 98.29 0.34 0.00 0.00 0.00 63 Y H H 107.52 4.59 20.30 25.22 92.22 50.03 -64.63 -42.41 0.53 0.00 99.47 0.11 0.04 0.30 99.34 0.21 0.00 0.00 0.00 64 I H H 79.33 3.69 20.66 24.27 91.81 49.33 -64.31 -42.45 0.22 0.00 99.78 0.04 0.02 0.12 99.72 0.09 0.00 0.00 0.00 65 E H H 51.49 9.83 17.20 28.42 91.76 50.13 -64.10 -41.90 0.24 0.00 99.76 0.03 0.01 0.15 99.74 0.06 0.00 0.00 0.00 66 F H H 74.07 9.40 17.37 27.74 92.12 50.17 -63.81 -41.53 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 67 K H H 117.07 2.70 19.84 22.28 91.63 50.09 -64.34 -41.50 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 68 R H H 124.39 3.68 19.41 23.27 92.06 49.13 -65.32 -41.13 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 69 R H H 84.92 9.72 17.09 27.51 92.04 49.92 -64.89 -41.25 0.15 0.00 99.85 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 70 V H H 62.41 6.26 17.89 25.16 91.88 49.77 -64.44 -41.18 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 71 A H H 53.20 2.51 19.58 21.56 91.25 50.68 -63.66 -42.01 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 72 I H H 71.89 4.70 18.39 23.94 91.85 49.41 -64.83 -41.40 0.17 0.00 99.82 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 73 A H H 31.40 8.83 15.60 26.05 91.81 50.67 -63.71 -41.71 0.26 0.00 99.74 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 74 I H H 85.17 3.21 17.91 21.37 91.71 49.88 -64.27 -41.51 0.39 0.00 99.61 0.07 0.02 0.20 99.67 0.05 0.00 0.00 0.00 75 E H H 98.30 2.10 17.73 19.26 91.62 49.94 -64.24 -41.59 0.59 0.00 99.41 0.11 0.04 0.30 99.47 0.07 0.00 0.00 0.00 76 E H H 73.25 4.99 14.42 21.02 91.90 50.07 -64.83 -40.66 1.12 0.01 98.87 0.24 0.09 0.61 98.90 0.15 0.00 0.00 0.00 77 K H H 87.10 5.36 12.63 19.62 92.26 50.59 -64.86 -40.32 2.76 0.03 97.21 0.81 0.27 1.50 97.03 0.36 0.00 0.01 0.01 78 K H H 134.61 1.49 13.28 14.87 92.31 50.49 -65.57 -39.30 6.35 0.05 93.60 1.39 0.53 4.09 93.19 0.76 0.01 0.02 0.02 79 R H H 164.27 1.28 12.26 13.61 92.47 50.42 -67.83 -33.24 14.07 0.06 85.87 1.70 1.23 10.70 85.32 0.97 0.02 0.02 0.03 80 R H H 143.50 3.05 10.47 14.81 95.59 47.98 -85.74 -6.32 48.86 0.20 50.94 3.98 4.78 38.60 50.59 1.81 0.04 0.07 0.14 81 G C T 57.64 1.72 11.41 14.08 98.25 -114.02 70.61 14.78 74.37 0.33 25.31 11.60 7.07 55.11 21.47 4.39 0.00 0.14 0.21 82 L C C 103.83 4.30 8.59 14.59 105.26 124.30 -85.84 35.50 79.28 1.44 19.28 40.25 13.01 26.59 12.47 6.24 0.00 0.71 0.71 83 M C C 130.57 2.80 9.18 13.75 110.01 84.89 -90.10 112.74 85.99 1.84 12.17 69.27 2.92 14.85 7.98 3.01 0.00 1.05 0.92 84 V C C 96.13 5.21 10.62 17.52 111.52 -154.72 -93.39 122.16 99.93 0.04 0.02 99.85 0.07 0.04 0.01 0.00 0.00 0.02 0.00