# 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 101.06 8.08 13.35 22.41 111.96 -155.08 -85.91 128.02 99.62 0.08 0.30 99.44 0.12 0.14 0.22 0.02 0.00 0.03 0.02 1 A C C 58.60 5.95 12.41 19.83 109.12 -118.91 -77.20 146.28 66.54 0.61 32.85 60.22 1.01 4.16 33.10 1.01 0.00 0.24 0.26 2 E H H 113.93 3.89 15.15 19.86 100.73 -103.51 -73.35 -19.63 45.12 0.61 54.27 35.42 4.21 4.56 54.12 1.22 0.00 0.22 0.25 3 V H H 35.69 16.63 11.29 27.34 93.85 55.20 -64.52 -40.04 8.66 0.10 91.24 5.52 1.24 2.07 90.22 0.87 0.00 0.05 0.03 4 E H H 101.73 5.58 16.89 23.56 92.19 53.19 -63.79 -40.65 2.84 0.03 97.12 1.44 0.40 1.03 96.50 0.61 0.00 0.02 0.01 5 E H H 103.95 1.94 19.78 20.38 91.96 49.95 -64.83 -40.78 1.84 0.02 98.14 0.75 0.23 0.81 97.68 0.51 0.00 0.01 0.00 6 T H H 25.79 12.82 16.46 30.46 92.01 49.67 -64.85 -42.11 1.84 0.02 98.14 0.62 0.20 0.92 97.89 0.36 0.00 0.01 0.00 7 L H H 28.14 17.81 15.55 33.27 91.83 50.80 -63.63 -41.05 1.20 0.01 98.79 0.32 0.12 0.63 98.68 0.24 0.00 0.01 0.00 8 K H H 121.32 2.57 21.16 23.34 91.55 51.78 -63.28 -41.17 0.98 0.01 99.01 0.23 0.09 0.54 98.79 0.35 0.00 0.00 0.00 9 R H H 120.69 3.55 20.55 24.06 91.77 50.09 -64.89 -41.10 1.49 0.01 98.50 0.26 0.12 0.97 97.80 0.84 0.00 0.01 0.00 10 I H H 15.71 20.44 13.41 33.80 91.93 49.26 -66.37 -38.36 2.09 0.01 97.90 0.25 0.16 1.52 96.55 1.51 0.00 0.01 0.00 11 Q H H 87.67 11.25 15.59 27.24 91.21 57.92 -67.23 -23.82 18.72 0.03 81.25 0.68 0.62 17.40 79.64 1.62 0.02 0.01 0.02 12 S C T 91.97 1.01 18.66 17.99 93.00 56.98 -84.18 -8.05 72.36 0.07 27.57 1.90 2.51 67.16 26.41 1.93 0.01 0.03 0.05 13 H C S 65.98 12.95 9.31 22.85 117.34 98.72 -83.18 139.72 99.14 0.52 0.34 23.92 74.63 0.53 0.29 0.05 0.00 0.11 0.47 14 K C T 168.70 0.94 18.16 17.82 110.75 -110.20 -66.29 133.76 99.11 0.23 0.66 0.55 3.88 94.91 0.07 0.40 0.00 0.12 0.08 15 G C T 35.70 8.51 17.48 26.72 95.61 22.90 86.07 -3.22 99.73 0.12 0.15 0.73 3.21 95.83 0.01 0.12 0.00 0.09 0.01 16 V E E 18.90 21.80 12.17 33.78 111.50 124.31 -80.76 123.88 23.29 76.59 0.12 21.70 1.34 0.12 0.07 0.07 0.00 72.46 4.24 17 I E E 77.87 7.89 23.69 32.15 99.93 176.21 -97.01 -24.59 23.98 75.90 0.12 18.95 3.31 1.16 0.03 0.10 0.00 75.86 0.58 18 G E E 8.20 12.90 23.58 37.66 145.90 -36.58 168.76 174.74 22.80 77.10 0.09 12.75 6.78 2.35 0.01 0.09 0.00 77.86 0.17 19 T E E 19.69 20.86 20.91 41.23 132.67 -112.55 -137.24 147.11 6.63 93.34 0.03 6.46 0.24 0.02 0.01 0.01 0.00 93.15 0.11 20 M E E 24.18 18.18 23.64 41.59 122.26 -158.58 -119.58 130.60 0.74 99.25 0.01 0.70 0.03 0.00 0.00 0.00 0.00 99.24 0.03 21 V E E 25.99 16.26 23.44 39.84 117.19 -156.87 -107.15 125.80 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 22 V E E 22.14 16.29 17.72 34.73 126.51 -171.20 -118.92 144.99 1.19 98.81 0.00 1.17 0.03 0.00 0.00 0.00 0.00 98.49 0.31 23 N C C 48.06 8.03 17.80 27.14 123.78 -126.61 -81.22 173.75 80.66 19.27 0.07 80.06 0.76 0.12 0.01 0.04 0.00 18.13 0.88 24 A C T 73.51 8.46 13.79 23.41 90.55 -92.53 -63.66 -21.22 97.38 0.74 1.88 0.84 5.26 91.25 0.06 1.91 0.00 0.57 0.11 25 E C T 144.76 1.23 17.34 17.35 92.28 56.57 -87.64 1.16 97.80 0.16 2.04 0.56 4.03 93.07 0.05 2.16 0.00 0.09 0.04 26 G C S 29.24 12.32 12.87 25.59 96.98 -104.58 85.48 7.77 97.90 0.85 1.25 24.80 69.83 3.33 0.09 1.18 0.00 0.44 0.33 27 I C C 78.33 5.63 18.43 25.39 114.86 144.75 -87.93 129.35 90.70 9.25 0.05 87.20 4.20 0.10 0.02 0.02 0.00 5.56 2.89 28 P E E 56.76 14.21 14.23 28.60 112.53 -112.73 -66.01 138.60 4.22 95.74 0.04 4.04 0.21 0.02 0.04 0.01 0.00 79.83 15.85 29 I E E 68.80 11.79 16.03 28.22 111.39 -163.17 -100.19 94.27 13.66 86.26 0.08 11.82 1.38 0.14 0.02 0.05 0.00 86.28 0.31 30 R E E 140.49 5.11 18.56 25.02 124.29 -76.86 -121.60 139.03 11.82 88.06 0.12 10.31 1.25 0.18 0.04 0.07 0.00 87.31 0.84 31 T E E 48.04 14.93 11.32 26.01 132.50 -168.73 -138.66 151.60 27.97 71.80 0.24 25.58 2.02 0.35 0.10 0.14 0.00 70.06 1.76 32 T C C 93.07 4.14 15.66 20.86 106.18 -152.35 -98.80 14.78 75.65 24.11 0.24 43.49 30.18 2.00 0.05 0.21 0.00 23.23 0.84 33 L C S 85.66 7.97 11.26 20.61 116.56 98.81 -90.99 141.47 90.89 8.43 0.68 37.78 48.75 4.88 0.17 0.49 0.00 6.68 1.25 34 D C C 99.29 3.40 14.55 18.98 110.90 -105.12 -83.00 123.50 96.83 1.87 1.30 75.33 16.17 5.44 0.48 0.76 0.00 1.19 0.63 35 N C C 93.92 7.97 11.76 20.71 98.94 -143.22 -76.13 -6.71 69.19 1.16 29.65 33.01 20.50 15.75 25.18 4.46 0.02 0.46 0.62 36 S H H 76.00 2.30 15.87 18.20 95.21 78.38 -69.57 -33.38 48.40 0.73 50.87 18.45 13.65 16.79 47.11 3.34 0.03 0.31 0.34 37 T H H 60.03 6.30 16.51 23.89 93.54 53.21 -69.18 -36.44 26.41 0.82 72.77 16.92 4.43 5.95 69.94 2.10 0.01 0.40 0.26 38 T H H 23.75 17.19 13.01 30.03 92.66 55.74 -64.00 -41.25 4.71 0.15 95.14 2.94 0.66 1.22 94.44 0.63 0.00 0.08 0.02 39 V H H 80.84 5.47 19.44 25.54 92.25 50.54 -65.06 -41.13 1.22 0.05 98.74 0.61 0.16 0.45 98.46 0.29 0.00 0.03 0.00 40 Q H H 110.86 2.11 22.70 23.55 91.98 49.61 -65.12 -41.56 0.72 0.02 99.26 0.29 0.08 0.32 99.10 0.21 0.00 0.01 0.00 41 Y H H 49.15 14.81 19.12 33.96 92.23 48.49 -65.12 -41.98 0.65 0.01 99.34 0.17 0.06 0.33 99.30 0.13 0.00 0.01 0.00 42 A H H 14.21 17.86 17.34 35.38 91.48 52.15 -62.51 -41.82 0.47 0.00 99.52 0.09 0.03 0.25 99.56 0.06 0.00 0.00 0.00 43 G H H 34.86 3.41 23.38 26.32 91.23 51.38 -63.30 -41.35 0.51 0.00 99.49 0.08 0.03 0.30 99.56 0.05 0.00 0.00 0.00 44 L H H 70.59 6.27 22.68 29.23 91.59 49.97 -64.58 -41.50 0.41 0.00 99.59 0.04 0.02 0.26 99.64 0.04 0.00 0.00 0.00 45 L H H 15.22 20.77 17.52 38.09 91.67 50.67 -63.92 -42.15 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 46 H H H 82.80 10.64 21.00 31.71 91.40 51.54 -62.39 -41.62 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 47 H H H 115.21 2.15 24.37 25.00 91.49 49.92 -64.14 -41.50 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 48 L H H 36.59 12.62 20.06 33.37 91.88 49.92 -64.56 -42.49 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 49 T H H 21.08 18.50 17.68 35.90 91.60 50.62 -63.41 -42.20 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 50 M H H 99.53 3.87 23.05 26.75 91.55 50.21 -64.17 -41.17 0.40 0.00 99.60 0.04 0.02 0.27 99.61 0.07 0.00 0.00 0.00 51 K H H 111.74 3.09 23.47 25.81 91.64 49.66 -64.74 -41.15 1.05 0.00 98.95 0.09 0.05 0.78 98.91 0.17 0.00 0.00 0.00 52 A H H 13.14 16.67 16.74 34.13 91.72 50.29 -64.22 -41.94 2.56 0.01 97.43 0.28 0.17 1.81 97.27 0.46 0.00 0.00 0.00 53 K H H 76.50 13.20 19.02 31.86 91.63 52.04 -63.22 -40.62 5.78 0.04 94.18 0.94 0.54 3.98 93.28 1.21 0.01 0.02 0.02 54 S H H 61.01 2.37 21.75 22.87 92.07 50.76 -64.89 -41.12 11.25 0.12 88.63 2.09 1.22 7.77 86.91 1.89 0.03 0.05 0.05 55 T H H 54.92 5.40 19.37 25.47 92.22 49.86 -65.76 -40.67 12.51 0.18 87.31 2.56 1.57 8.59 85.02 2.05 0.05 0.08 0.08 56 V H H 22.03 15.51 13.05 29.32 92.62 50.47 -65.57 -40.49 9.36 0.20 90.44 2.83 1.52 5.53 86.92 2.98 0.05 0.10 0.08 57 R H H 122.92 6.53 14.58 22.49 91.97 54.24 -64.81 -36.44 13.02 0.26 86.72 2.52 1.60 9.29 81.84 4.38 0.11 0.14 0.11 58 D H H 116.72 0.99 16.28 15.97 93.29 49.99 -70.71 -32.52 18.55 0.12 81.34 1.66 1.89 15.18 78.46 2.59 0.10 0.05 0.07 59 I H H 99.65 4.45 13.99 19.40 99.36 37.13 -87.38 -33.63 24.91 0.17 74.93 1.78 5.38 18.11 73.26 1.17 0.12 0.04 0.13 60 D C C 58.57 7.73 10.82 20.32 115.92 14.74 -136.10 91.34 99.60 0.24 0.16 84.72 14.38 0.45 0.09 0.05 0.00 0.07 0.24 61 P C T 100.67 3.82 10.69 16.89 93.11 -173.85 -64.34 -21.53 74.78 0.19 25.03 3.42 4.60 62.84 0.73 28.22 0.00 0.11 0.09 62 Q C T 150.26 0.78 14.25 13.78 93.42 59.32 -82.59 -6.47 73.55 0.24 26.22 2.42 5.30 62.22 0.85 28.95 0.00 0.13 0.13 63 N C C 63.40 11.45 9.94 21.87 110.46 84.58 -91.36 105.85 78.41 0.95 20.64 42.23 22.86 9.84 1.07 23.04 0.00 0.48 0.49 64 D C C 85.44 5.68 17.32 24.01 107.59 -167.22 -91.21 66.71 96.15 2.60 1.25 81.93 11.09 2.74 0.31 1.03 0.00 1.26 1.64 65 L C C 42.70 18.51 12.01 29.92 110.91 -120.31 -82.05 121.82 89.38 10.31 0.31 87.20 2.27 0.50 0.07 0.20 0.00 8.60 1.17 66 T C S 70.37 6.92 19.98 27.79 100.74 176.84 -96.51 -25.59 88.15 11.78 0.07 31.80 55.26 0.94 0.01 0.06 0.00 11.60 0.33 67 F E E 79.45 9.38 20.56 30.70 135.61 15.75 -147.26 145.35 8.64 91.30 0.06 6.32 2.34 0.21 0.02 0.04 0.00 90.81 0.26 68 L E E 32.74 19.64 16.23 35.37 125.60 -169.23 -128.48 133.92 1.36 98.62 0.02 1.26 0.06 0.01 0.01 0.00 0.00 98.63 0.03 69 R E E 97.99 9.63 22.31 32.33 120.12 -162.17 -113.14 127.95 0.51 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.49 0.01 70 I E E 33.73 17.51 16.23 34.03 120.22 -167.28 -113.67 129.21 0.68 99.31 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.35 0.01 71 R E E 119.09 7.31 17.69 26.41 122.04 -169.41 -118.56 131.20 4.10 95.88 0.02 3.53 0.36 0.04 0.01 0.01 0.00 95.89 0.18 72 S C C 37.23 9.17 12.36 23.11 131.01 169.91 -125.82 171.61 66.49 33.47 0.04 62.73 1.96 0.12 0.01 0.03 0.00 34.76 0.41 73 K C S 167.81 1.18 14.55 15.47 93.44 -88.18 -63.69 -33.72 98.91 0.86 0.23 3.89 76.33 18.79 0.01 0.19 0.00 0.67 0.11 74 K C S 136.61 2.94 14.83 18.54 103.22 18.60 -104.43 -20.36 98.84 0.95 0.22 3.61 74.63 20.69 0.01 0.19 0.00 0.77 0.10 75 H E E 52.99 11.94 14.42 27.57 137.11 22.33 -146.58 154.57 38.59 61.31 0.10 31.52 5.03 0.45 0.01 0.08 0.00 62.55 0.36 76 E E E 56.12 11.90 19.26 32.17 123.51 -148.82 -118.96 136.22 2.17 97.83 0.00 1.99 0.08 0.00 0.00 0.00 0.00 97.86 0.05 77 I E E 12.93 20.61 19.02 39.94 124.35 -166.36 -120.95 132.51 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 78 M E E 33.00 13.55 25.58 39.69 119.15 -161.28 -109.14 130.18 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 79 V E E 8.71 23.12 20.50 43.59 122.79 -167.89 -118.99 131.91 0.52 99.48 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.03 80 A E E 19.17 13.02 23.72 37.59 123.52 -173.36 -128.21 130.49 14.02 85.97 0.01 13.07 0.44 0.03 0.00 0.00 0.00 86.36 0.10 81 P E E 45.42 15.50 17.14 32.27 112.21 -136.41 -75.22 142.59 38.13 61.63 0.24 27.57 9.69 1.37 0.04 0.23 0.00 60.44 0.67 82 D C C 61.91 6.89 17.92 25.58 130.28 169.95 -131.54 168.29 84.51 15.13 0.36 67.10 15.23 1.89 0.07 0.36 0.00 13.86 1.48 83 K C S 157.79 2.62 15.32 19.16 92.52 -93.24 -64.83 -28.54 97.95 0.81 1.25 5.70 67.73 24.71 0.08 1.07 0.00 0.49 0.22 84 E C S 120.98 3.89 16.66 21.20 102.78 30.29 -103.16 -23.42 97.38 1.37 1.26 4.43 66.07 27.19 0.08 1.05 0.00 0.93 0.25 85 Y E E 64.36 11.69 16.93 29.66 135.57 21.52 -144.43 151.65 41.79 57.35 0.86 28.33 12.37 3.36 0.12 0.85 0.00 53.34 1.64 86 L E E 19.49 18.78 18.10 37.20 124.12 -155.64 -120.05 134.57 10.43 89.53 0.04 9.39 0.71 0.08 0.01 0.02 0.00 89.42 0.37 87 L E E 23.44 15.43 24.09 39.98 118.94 -158.70 -112.57 126.96 3.00 96.98 0.01 2.61 0.25 0.02 0.00 0.01 0.00 97.08 0.04 88 I E E 11.20 21.76 22.21 43.68 119.67 -165.26 -113.04 126.62 0.69 99.31 0.00 0.65 0.04 0.00 0.00 0.00 0.00 99.30 0.01 89 V E E 19.87 15.44 25.11 41.02 119.08 -165.21 -113.44 126.82 0.29 99.71 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 90 I E E 18.67 19.64 21.11 40.66 118.73 -163.58 -109.33 127.95 0.60 99.40 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.37 0.03 91 Q E E 52.88 12.38 20.96 33.74 123.37 -167.68 -114.24 137.18 11.16 88.82 0.02 9.87 0.85 0.06 0.00 0.01 0.00 88.81 0.40 92 N C C 51.15 11.68 16.38 29.14 108.99 -127.98 -89.69 115.02 89.06 10.88 0.06 84.10 3.98 0.21 0.01 0.05 0.00 11.30 0.34 93 P C T 63.34 9.72 13.18 24.52 94.03 -155.23 -67.08 -17.75 94.59 1.80 3.60 34.89 14.65 44.49 0.27 4.02 0.00 1.40 0.29 94 C C T 86.57 4.04 12.05 17.65 97.97 70.36 -82.31 -8.91 95.52 1.15 3.33 42.21 7.34 45.79 0.34 3.22 0.00 0.73 0.36 95 E C C 132.37 3.63 13.32 18.37 104.82 83.05 -82.01 70.06 99.74 0.15 0.12 99.16 0.45 0.21 0.02 0.05 0.00 0.08 0.03