# 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 85.82 10.23 12.51 23.50 118.36 135.74 -96.41 139.51 99.94 0.05 0.02 99.84 0.10 0.03 0.01 0.00 0.00 0.02 0.01 1 E C C 107.36 4.14 16.45 21.29 113.20 -125.06 -83.60 137.62 91.84 0.87 7.29 91.39 0.63 1.60 4.42 1.15 0.00 0.29 0.52 2 A H G 42.38 14.92 11.31 26.08 93.95 -122.93 -61.66 -32.24 22.13 0.65 77.22 7.24 3.25 11.57 19.94 57.41 0.00 0.45 0.14 3 R H G 129.42 7.72 15.36 24.13 91.79 62.87 -69.24 -22.57 18.17 0.61 81.22 4.40 2.64 10.66 23.09 58.66 0.00 0.43 0.11 4 D H G 81.22 5.90 17.94 24.72 94.52 63.97 -78.34 -11.35 18.50 1.13 80.37 7.21 3.71 8.19 21.51 58.38 0.00 0.82 0.19 5 I H G 38.20 16.83 15.32 31.97 99.46 70.70 -80.26 -21.04 40.77 15.30 43.93 15.45 12.48 14.59 21.03 21.86 0.76 10.41 3.41 6 L E E 36.89 18.32 14.76 32.85 112.82 80.41 -90.73 119.87 33.26 55.53 11.22 22.51 7.27 3.68 8.63 3.80 0.20 32.13 21.78 7 K C C 105.21 9.04 18.89 28.45 105.78 -169.86 -94.00 -1.17 62.36 34.68 2.96 47.23 12.12 2.38 2.21 1.20 0.01 30.13 4.71 8 R C C 128.37 6.93 20.18 28.05 125.05 5.79 -124.26 135.86 72.72 27.12 0.16 45.17 27.74 0.60 0.05 0.12 0.00 25.15 1.17 9 P C C 46.83 16.79 15.27 31.53 115.20 -108.65 -67.28 147.31 78.10 21.67 0.23 73.81 3.24 0.44 0.08 0.14 0.00 20.65 1.64 10 V C C 55.62 11.87 19.57 31.84 113.63 -134.11 -95.76 123.22 68.04 31.70 0.26 59.72 8.11 0.57 0.15 0.16 0.00 19.30 11.99 11 I C C 54.00 17.05 13.97 30.57 120.38 -157.23 -105.50 130.31 83.97 15.90 0.13 78.10 6.22 0.20 0.08 0.06 0.00 11.45 3.89 12 T C C 49.26 7.38 16.15 24.94 126.77 -146.97 -96.66 172.21 95.79 3.87 0.34 90.48 5.62 0.20 0.30 0.06 0.00 2.30 1.04 13 E H H 146.02 1.74 16.47 18.50 90.96 -99.01 -58.74 -37.38 9.36 0.09 90.55 1.46 2.41 5.97 88.60 1.46 0.04 0.03 0.05 14 K H H 115.84 4.44 17.71 22.97 92.01 52.21 -65.06 -39.19 8.24 0.09 91.67 1.31 1.22 5.96 89.55 1.83 0.04 0.04 0.04 15 S H H 11.69 19.15 12.22 31.18 92.18 51.06 -65.95 -39.68 4.77 0.13 95.10 2.05 0.81 2.20 92.68 2.13 0.01 0.08 0.03 16 S H H 48.59 6.48 17.92 25.50 91.87 53.44 -63.71 -41.11 2.68 0.08 97.24 1.29 0.40 1.06 96.09 1.08 0.01 0.05 0.02 17 E H H 109.70 1.83 20.41 20.67 92.13 50.04 -65.00 -40.67 2.66 0.14 97.21 0.93 0.42 1.44 96.12 0.96 0.01 0.08 0.03 18 A H H 18.44 12.45 13.58 27.62 92.15 50.90 -65.53 -40.37 3.53 0.16 96.31 1.23 0.48 1.98 94.86 1.29 0.02 0.10 0.03 19 M H H 68.93 13.38 12.98 26.38 92.67 52.48 -65.53 -39.70 5.16 0.11 94.73 1.27 0.54 3.35 92.62 2.10 0.02 0.07 0.03 20 A H H 86.10 1.51 16.32 17.42 91.44 54.71 -66.29 -28.33 14.73 0.10 85.16 1.18 1.02 12.73 83.16 1.75 0.06 0.05 0.05 21 E C T 121.12 2.75 15.18 18.44 95.21 49.28 -89.68 2.34 87.95 0.04 12.01 0.61 2.42 84.97 10.96 0.98 0.00 0.01 0.04 22 D C T 98.48 6.44 15.83 23.65 94.41 -113.18 61.71 34.78 99.62 0.02 0.35 1.51 2.52 95.74 0.13 0.08 0.00 0.01 0.00 23 K C C 70.92 11.94 16.94 29.47 127.37 132.68 -114.74 146.67 69.40 30.55 0.06 62.09 5.98 0.23 0.01 0.04 0.00 30.68 0.96 24 Y E E 36.66 17.81 19.16 36.93 118.13 -130.66 -96.71 135.02 17.08 82.90 0.01 16.38 0.48 0.03 0.00 0.01 0.00 82.83 0.27 25 T E E 26.26 16.32 22.79 38.96 128.27 -166.55 -123.89 141.46 3.81 96.18 0.00 3.75 0.07 0.00 0.00 0.00 0.00 96.11 0.06 26 F E E 13.18 22.06 20.26 42.02 130.14 -173.42 -129.83 143.56 0.50 99.49 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 27 D E E 55.99 10.77 26.13 37.23 116.01 -139.84 -100.18 126.55 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.02 28 V E E 8.27 23.69 15.22 38.97 132.45 -172.71 -132.50 151.12 3.90 96.10 0.00 3.95 0.06 0.00 0.00 0.00 0.00 95.73 0.25 29 D C C 54.95 7.71 22.47 30.89 111.72 -106.00 -72.04 135.45 51.78 48.19 0.03 51.61 0.56 0.05 0.00 0.03 0.00 47.28 0.47 30 T C T 59.63 14.75 14.98 29.84 91.73 -134.87 -65.24 -20.28 97.90 1.33 0.77 0.96 6.40 90.78 0.02 0.78 0.00 0.95 0.11 31 R C T 168.37 1.79 20.95 22.16 93.24 60.81 -87.20 -2.29 98.73 0.62 0.65 1.18 5.30 92.31 0.02 0.70 0.00 0.44 0.05 32 V C C 17.27 20.21 9.75 29.72 116.54 116.97 -71.39 141.10 98.49 1.29 0.21 67.14 31.28 0.27 0.07 0.12 0.00 0.54 0.57 33 N C C 77.75 3.54 23.68 26.24 125.77 -138.75 -94.73 166.31 96.64 3.20 0.16 96.22 0.65 0.05 0.10 0.02 0.00 0.59 2.37 34 K H H 90.27 15.23 14.28 29.01 91.25 -104.20 -58.46 -37.61 1.93 0.00 98.07 0.21 0.25 1.24 98.11 0.19 0.00 0.00 0.00 35 T H H 87.17 2.24 21.96 23.27 91.66 53.03 -64.22 -40.76 1.17 0.00 98.82 0.09 0.09 0.87 98.77 0.17 0.00 0.00 0.00 36 Q H H 65.28 9.20 20.58 30.39 91.85 49.37 -65.60 -40.59 0.30 0.00 99.70 0.05 0.02 0.17 99.64 0.12 0.00 0.00 0.00 37 V H H 1.79 26.72 15.46 42.99 91.10 49.81 -63.57 -43.54 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 38 K H H 76.69 13.88 22.09 35.01 91.30 51.37 -61.89 -42.32 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 39 M H H 98.21 2.76 26.31 28.02 91.71 49.37 -64.41 -42.02 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 40 A H H 8.10 16.38 20.73 38.05 91.48 50.23 -63.76 -43.24 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 41 V H H 2.14 26.26 17.26 44.07 91.83 48.85 -64.49 -43.26 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 E H H 80.26 9.91 19.95 30.13 91.91 50.95 -63.64 -41.37 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 43 E H H 119.55 2.91 21.92 24.54 92.62 48.52 -67.08 -39.64 0.21 0.00 99.79 0.01 0.00 0.19 99.76 0.04 0.00 0.00 0.00 44 I H H 38.56 16.15 17.25 33.04 98.06 39.14 -80.50 -38.99 1.15 0.00 98.85 0.02 0.03 1.11 98.77 0.07 0.00 0.00 0.00 45 F H H 27.00 19.11 14.66 33.75 103.17 25.68 -109.60 -0.96 12.04 0.04 87.93 0.67 1.50 9.33 88.23 0.21 0.02 0.01 0.03 46 N C T 122.18 2.14 21.46 23.47 94.72 -124.82 57.82 41.85 99.68 0.12 0.20 22.68 13.18 63.87 0.08 0.08 0.00 0.07 0.03 47 V C C 19.82 19.53 11.42 30.87 129.66 133.95 -121.51 149.32 94.60 5.36 0.04 77.49 16.88 0.32 0.01 0.03 0.00 4.85 0.41 48 K C C 127.39 2.98 24.11 26.77 113.78 -127.61 -92.34 127.38 84.01 15.97 0.02 83.11 0.94 0.06 0.00 0.01 0.00 15.59 0.29 49 V E E 23.88 22.81 10.68 32.62 112.83 -142.01 -86.81 124.13 18.64 81.32 0.03 19.53 0.26 0.02 0.01 0.02 0.00 79.41 0.75 50 A E E 60.91 4.36 20.86 25.65 97.73 -172.82 -84.83 -36.00 18.77 81.20 0.04 10.61 8.12 0.21 0.00 0.03 0.00 80.92 0.10 51 S E E 50.88 4.84 23.26 28.83 140.64 -1.59 -156.55 154.66 2.96 97.03 0.01 2.29 0.36 0.03 0.00 0.01 0.00 97.29 0.03 52 V E E 36.82 22.29 11.72 32.67 125.93 -162.80 -131.81 132.40 1.08 98.92 0.00 0.96 0.04 0.00 0.00 0.00 0.00 98.98 0.02 53 N E E 69.81 5.64 23.46 29.36 126.15 -173.72 -125.06 139.95 0.88 99.12 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.23 0.00 54 I E E 61.41 17.32 13.63 30.37 122.59 -158.53 -118.37 131.34 0.68 99.32 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.35 0.01 55 M E E 74.43 7.50 18.24 27.11 124.66 -173.40 -123.36 139.35 0.57 99.43 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.02 56 N E E 82.90 9.21 14.83 25.35 118.22 -148.61 -106.38 127.87 2.47 97.53 0.00 2.08 0.17 0.01 0.00 0.00 0.00 97.67 0.07 57 Y E E 85.48 9.95 12.97 24.50 123.55 -172.13 -119.73 139.16 22.66 77.32 0.03 20.72 1.23 0.07 0.00 0.02 0.00 77.04 0.92 58 K C C 143.01 2.52 16.30 19.72 114.52 -121.51 -86.24 133.53 64.01 35.93 0.06 58.70 2.73 0.24 0.01 0.05 0.00 37.90 0.37 59 P C C 57.18 13.10 8.81 21.88 116.11 -110.48 -69.05 149.07 65.75 34.13 0.13 58.92 4.34 0.57 0.02 0.11 0.00 35.51 0.54 60 K E E 129.43 2.94 14.61 18.78 120.57 -143.17 -108.10 142.13 22.58 77.27 0.15 20.70 1.51 0.25 0.05 0.09 0.00 76.00 1.40 61 K E E 130.27 5.28 9.87 17.33 117.88 -130.14 -95.35 134.61 12.58 87.33 0.09 11.60 0.73 0.13 0.03 0.04 0.00 86.86 0.62 62 K E E 112.74 4.24 10.34 16.72 123.67 -168.99 -120.32 141.95 7.59 92.32 0.09 6.48 0.83 0.19 0.02 0.04 0.00 92.13 0.29 63 R E E 167.37 2.25 8.45 12.80 115.90 -133.79 -96.29 128.93 11.92 87.99 0.10 10.05 1.24 0.26 0.03 0.06 0.00 87.80 0.56 64 M E E 123.41 2.43 7.59 11.94 115.59 -176.48 -123.14 110.82 34.46 65.17 0.37 27.58 4.92 1.60 0.09 0.29 0.00 64.61 0.91 65 G C T 66.15 0.33 10.18 9.06 109.74 -49.46 65.09 -130.04 97.28 1.97 0.76 15.16 27.34 54.76 0.07 0.78 0.00 1.67 0.22 66 R C T 207.58 0.33 9.14 8.36 96.64 -18.02 -88.49 -4.80 96.91 2.20 0.89 14.76 28.42 53.65 0.08 0.94 0.00 1.91 0.23 67 Y E E 144.23 2.89 8.14 13.09 121.50 81.23 -107.86 140.30 29.07 70.63 0.30 21.30 7.46 1.99 0.07 0.27 0.00 67.37 1.54 68 Q E E 122.11 3.47 9.46 15.36 122.49 -162.19 -114.81 142.55 17.30 82.62 0.09 14.38 1.89 0.42 0.02 0.06 0.00 82.72 0.50 69 G E E 32.26 4.41 13.81 19.86 137.86 120.35 -146.90 -176.93 11.20 88.75 0.05 8.69 1.98 0.37 0.01 0.04 0.00 88.63 0.28 70 Y E E 127.49 7.05 12.02 20.78 122.96 -84.99 -110.47 142.47 10.00 89.96 0.04 9.03 0.63 0.09 0.02 0.02 0.00 87.21 3.00 71 T C C 57.20 8.99 12.26 22.70 123.24 -161.21 -110.19 148.13 56.06 43.81 0.13 50.93 3.24 0.40 0.03 0.11 0.00 44.39 0.90 72 N C C 99.08 5.46 15.45 22.04 109.39 -112.81 -83.23 118.26 72.95 26.93 0.13 55.14 14.60 1.28 0.01 0.14 0.00 28.36 0.46 73 K C C 91.65 10.25 14.33 25.27 118.97 -152.68 -103.30 136.76 67.58 32.31 0.11 55.96 8.64 0.91 0.01 0.13 0.00 33.82 0.53 74 R E E 93.31 11.28 16.73 28.62 126.55 -164.85 -120.19 144.48 14.46 85.52 0.02 12.95 1.01 0.07 0.01 0.02 0.00 85.18 0.77 75 R E E 55.05 15.29 17.40 33.02 126.18 -162.86 -121.11 142.15 2.90 97.10 0.00 2.64 0.13 0.00 0.00 0.00 0.00 97.13 0.10 76 K E E 64.85 12.74 22.05 34.87 124.37 -150.88 -113.58 140.35 1.91 98.09 0.00 1.60 0.13 0.00 0.00 0.00 0.00 98.23 0.03 77 A E E 7.06 21.81 17.94 40.27 124.86 -161.16 -117.96 139.45 0.87 99.13 0.00 0.81 0.01 0.00 0.00 0.00 0.00 99.16 0.01 78 I E E 40.81 11.32 25.12 37.38 117.35 -153.60 -108.74 125.96 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 79 V E E 6.74 23.70 18.23 42.46 121.47 -167.71 -115.11 132.20 0.57 99.43 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 80 T E E 43.68 9.18 26.10 35.94 120.40 -162.65 -111.63 133.73 2.44 97.56 0.00 2.33 0.07 0.00 0.00 0.00 0.00 97.51 0.09 81 L E E 14.61 22.73 13.25 35.91 117.23 -141.13 -90.46 135.86 22.98 76.89 0.13 21.46 1.28 0.15 0.04 0.09 0.00 75.64 1.34 82 K C C 103.28 5.81 19.70 26.07 119.45 -134.18 -88.51 151.71 79.14 19.70 1.17 64.75 10.74 2.52 0.23 1.02 0.00 19.47 1.26 83 E C T 138.49 3.68 15.76 20.98 109.99 -89.97 -67.57 137.42 89.26 6.90 3.85 24.88 26.12 38.74 0.59 3.22 0.00 5.47 0.98 84 G C C 51.06 3.07 16.19 19.95 105.47 24.82 88.23 -6.45 92.12 4.62 3.27 38.54 18.04 35.87 0.48 2.88 0.00 3.40 0.78 85 S C C 48.41 11.42 12.84 24.78 117.09 110.89 -94.26 137.60 90.74 6.66 2.60 81.62 6.76 2.46 0.63 1.76 0.00 5.61 1.16 86 I C C 62.66 12.99 12.92 26.26 118.50 -155.56 -105.77 131.35 88.19 8.89 2.93 81.21 4.87 2.27 0.93 1.73 0.00 6.98 2.01 87 D C C 92.23 5.09 17.03 23.08 107.62 -136.95 -83.55 107.55 83.98 9.37 6.64 74.72 4.92 4.30 1.77 4.67 0.00 7.68 1.93 88 L C C 66.18 13.20 11.88 25.04 98.45 157.79 -79.15 -21.24 85.28 5.48 9.24 49.48 17.29 18.58 1.88 7.64 0.00 3.68 1.46 89 F C C 99.76 9.76 10.39 20.85 103.18 54.42 -93.21 10.57 89.65 3.61 6.74 67.77 4.61 17.63 1.60 4.71 0.00 2.53 1.15 90 N C C 117.04 2.88 14.69 18.75 103.93 79.17 -83.78 65.72 99.84 0.11 0.05 99.53 0.20 0.16 0.01 0.01 0.00 0.07 0.01