# 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 114.45 5.65 11.86 18.86 115.78 -158.03 -94.45 131.33 99.86 0.13 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.06 0.01 1 A C C 72.52 4.42 9.19 15.34 114.09 -141.26 -89.99 138.67 84.54 8.39 7.07 79.87 1.21 4.16 4.53 1.68 0.00 5.87 2.68 2 D C C 109.08 2.55 9.17 13.31 109.13 -142.77 -88.29 108.35 78.33 9.59 12.08 54.35 14.18 9.57 8.14 4.36 0.01 6.98 2.42 3 S C C 72.69 4.03 8.74 14.45 110.37 -155.02 -87.93 120.40 70.51 9.33 20.16 46.72 14.98 8.60 14.57 6.07 0.03 7.05 1.99 4 K C C 137.59 2.95 10.28 14.66 104.24 69.89 -82.39 25.29 67.70 7.25 25.04 46.97 13.17 7.06 19.73 6.00 0.01 5.49 1.57 5 K C C 126.45 4.00 10.34 15.82 103.19 58.88 -79.08 -7.43 66.84 5.51 27.65 50.78 8.27 7.20 22.72 5.55 0.01 3.94 1.53 6 D C C 91.82 4.31 11.05 16.80 102.56 57.72 -83.68 14.75 64.91 3.24 31.86 45.98 9.66 9.25 26.10 5.88 0.01 2.16 0.95 7 N C C 96.39 4.66 10.95 17.05 101.84 59.95 -81.51 -5.74 62.92 2.96 34.13 39.67 11.60 11.87 27.39 6.65 0.01 1.83 0.96 8 K C C 126.45 3.42 12.33 16.89 100.03 67.96 -78.01 -20.60 62.28 2.61 35.11 40.04 13.14 9.52 29.20 5.69 0.01 1.48 0.92 9 K C C 116.83 4.17 12.22 17.69 99.77 64.48 -75.28 -25.23 57.88 2.08 40.04 40.36 10.76 7.10 35.21 4.70 0.01 1.13 0.72 10 T C H 75.67 6.20 11.72 19.21 97.11 58.84 -71.70 -31.38 51.44 1.87 46.69 37.47 7.54 6.91 41.01 5.38 0.00 1.14 0.55 11 E H H 118.60 4.17 12.96 18.36 97.69 57.62 -75.16 -25.13 45.44 2.92 51.64 31.77 7.16 7.42 44.40 6.52 0.01 1.97 0.74 12 E H H 117.79 3.92 13.59 18.49 100.91 57.14 -81.31 -12.91 45.27 4.38 50.34 31.39 7.26 7.64 43.49 6.09 0.02 3.18 0.94 13 V C H 80.48 6.71 13.10 20.99 108.49 70.51 -90.20 96.11 47.32 6.61 46.06 33.84 7.87 6.78 40.76 4.59 0.03 4.62 1.50 14 V C C 72.64 9.23 11.33 21.54 111.35 -151.45 -89.32 121.22 59.43 6.10 34.47 42.91 8.23 7.90 31.71 3.58 0.02 4.03 1.62 15 T C C 79.46 5.67 12.55 19.57 113.34 -154.08 -94.68 130.35 71.82 4.50 23.69 51.35 8.27 10.74 21.59 3.70 0.01 2.84 1.50 16 Q C C 125.23 3.97 11.92 17.48 110.59 -128.71 -87.92 113.43 77.70 3.58 18.71 36.78 16.60 24.69 13.71 4.83 0.03 1.91 1.45 17 G C T 47.16 4.34 12.38 18.05 111.16 -0.32 84.11 -143.08 86.42 1.62 11.96 31.47 24.17 31.76 4.76 6.24 0.01 0.77 0.82 18 T C T 98.41 3.97 12.29 17.51 100.79 -26.07 -82.66 -9.57 81.09 1.83 17.08 28.79 24.05 29.30 4.16 11.88 0.01 0.90 0.91 19 D C C 94.75 4.69 13.66 19.75 104.49 77.61 -85.51 15.26 78.94 3.89 17.17 29.13 26.38 25.02 3.45 12.46 0.01 2.26 1.29 20 Q C C 102.80 6.84 16.34 24.04 109.67 82.73 -87.21 113.62 77.53 10.76 11.70 49.29 16.92 11.79 2.76 8.73 0.01 8.90 1.60 21 A C C 27.22 18.22 12.97 30.50 118.97 -125.87 -90.45 140.81 69.06 28.74 2.20 57.91 7.50 2.60 0.65 1.37 0.00 28.71 1.26 22 Q E E 73.09 11.04 23.00 33.89 124.86 -156.73 -115.34 140.07 31.80 67.57 0.63 26.93 4.00 0.81 0.19 0.39 0.00 66.49 1.19 23 V E E 38.36 16.23 21.71 37.57 117.62 -131.92 -93.07 135.02 20.31 79.57 0.12 16.99 2.52 0.31 0.03 0.08 0.00 79.56 0.50 24 G E E 4.42 21.45 19.13 40.31 133.90 -168.09 -126.15 162.50 9.66 90.32 0.02 8.07 0.93 0.07 0.00 0.01 0.00 90.84 0.08 25 L E E 58.15 9.78 25.94 36.48 121.32 -124.21 -112.99 133.95 2.15 97.85 0.00 1.89 0.08 0.00 0.00 0.00 0.00 97.98 0.05 26 I E E 17.49 22.27 15.11 37.84 109.35 -118.20 -76.17 124.03 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 27 I E E 74.70 6.64 21.30 29.01 100.78 174.39 -97.29 -33.43 0.88 99.12 0.00 0.56 0.15 0.01 0.00 0.00 0.00 99.28 0.00 28 K E E 95.51 4.50 23.61 28.83 138.42 -2.32 -153.45 151.39 0.31 99.69 0.00 0.20 0.04 0.00 0.00 0.00 0.00 99.75 0.00 29 V E E 49.02 18.33 13.89 31.45 117.82 -142.91 -109.06 125.32 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 30 L E E 72.32 7.94 17.74 26.87 113.48 -164.20 -98.37 123.95 1.98 98.01 0.01 1.60 0.16 0.01 0.00 0.00 0.00 98.20 0.02 31 G E E 31.17 6.63 17.27 25.07 137.67 11.76 151.47 176.02 5.90 94.09 0.01 4.28 1.15 0.08 0.00 0.01 0.00 94.42 0.06 32 R E E 133.95 6.42 13.45 21.68 123.27 -88.07 -113.66 143.05 10.37 89.59 0.04 9.37 0.71 0.07 0.01 0.02 0.00 88.83 0.99 33 T E E 80.17 6.09 10.60 18.50 120.29 -153.92 -109.96 143.12 43.23 56.41 0.36 35.88 6.37 0.90 0.11 0.29 0.00 53.72 2.73 34 G C T 48.00 2.19 11.71 14.96 124.97 11.87 104.04 -168.17 88.62 4.44 6.94 12.30 32.91 43.26 0.43 7.03 0.01 3.17 0.89 35 S C T 103.85 0.61 10.22 10.48 94.64 -59.31 -68.77 -19.55 90.54 0.68 8.79 2.65 19.24 67.15 0.35 9.89 0.00 0.38 0.33 36 R C T 179.87 1.17 10.78 12.22 97.69 51.39 -89.65 2.92 91.03 0.62 8.35 2.49 13.16 73.79 0.30 9.62 0.00 0.37 0.27 37 G C T 40.50 5.93 11.30 18.68 103.37 -103.58 82.31 4.78 92.87 2.77 4.36 28.04 26.96 37.46 0.32 4.71 0.00 1.87 0.66 38 N C C 79.55 5.53 15.32 22.10 115.08 135.71 -81.73 146.17 75.48 24.07 0.44 61.10 11.80 2.29 0.10 0.42 0.00 21.92 2.36 39 V E E 42.74 14.13 13.42 28.17 117.70 -122.92 -97.03 135.09 16.73 83.24 0.02 15.94 0.58 0.04 0.01 0.01 0.00 82.25 1.18 40 T E E 48.41 10.15 18.99 30.10 104.50 -168.97 -100.30 -14.71 9.09 90.90 0.01 7.29 0.97 0.03 0.00 0.00 0.00 91.66 0.05 41 Q E E 62.28 11.02 21.04 32.39 130.74 2.56 -134.90 142.67 1.11 98.89 0.00 0.92 0.06 0.00 0.00 0.00 0.00 99.01 0.01 42 V E E 10.67 21.08 16.80 38.25 126.03 -167.95 -124.78 136.76 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 43 R E E 72.21 9.51 24.49 34.75 118.27 -147.24 -102.75 130.68 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 44 V E E 8.97 22.73 16.22 39.18 125.80 -170.36 -120.34 139.02 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 45 R E E 91.60 8.33 24.44 33.20 119.27 -155.64 -109.75 130.52 0.78 99.22 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.27 0.02 46 L E E 28.89 18.59 15.62 34.38 115.07 -135.03 -87.08 131.64 4.67 95.29 0.05 4.20 0.26 0.04 0.01 0.02 0.00 95.24 0.22 47 M E E 60.10 10.00 17.78 29.13 115.73 -148.36 -97.31 130.71 40.42 58.78 0.80 33.98 4.93 1.17 0.16 0.55 0.00 58.27 0.94 48 A C C 49.23 9.62 13.33 24.12 113.04 -143.47 -91.91 139.23 68.71 29.06 2.23 46.03 18.63 5.14 0.51 1.80 0.01 25.70 2.19 49 E C C 112.67 4.65 12.06 18.34 115.03 -125.73 -93.71 128.86 85.75 12.19 2.06 63.16 16.15 6.34 0.51 1.69 0.00 8.74 3.40 50 A C T 84.65 2.96 10.53 15.36 107.37 -109.90 -66.07 131.97 97.21 1.14 1.64 12.25 17.56 67.27 0.22 1.56 0.00 0.76 0.37 51 G C T 66.69 0.54 12.43 11.50 97.85 16.90 81.94 -1.39 98.30 0.58 1.12 8.99 23.83 65.31 0.10 1.21 0.00 0.36 0.20 52 S C C 46.82 6.42 7.15 15.48 120.86 106.39 -97.05 149.49 94.71 4.36 0.93 48.82 42.35 3.40 0.18 0.81 0.00 1.95 2.48 53 P C T 118.60 1.22 11.69 13.33 94.95 -128.79 -68.37 -19.66 89.52 2.26 8.23 15.64 20.93 52.43 0.74 8.12 0.00 1.45 0.68 54 D C T 93.37 4.26 11.40 17.18 103.81 62.72 -90.83 36.85 83.97 6.04 9.99 24.50 16.33 43.52 1.22 8.81 0.01 4.36 1.26 55 Y C C 105.49 9.02 10.75 21.02 113.55 127.20 -88.96 123.13 75.75 14.37 9.88 42.81 14.91 18.64 1.52 8.58 0.01 11.44 2.10 56 N C C 94.84 6.12 14.83 22.06 106.89 68.08 -104.83 43.34 69.00 25.70 5.30 36.37 16.41 17.00 0.72 4.56 0.00 23.61 1.33 57 R E E 99.09 9.58 14.91 25.52 122.82 122.06 -115.93 140.54 43.76 55.52 0.72 35.39 6.77 1.31 0.14 0.59 0.00 54.95 0.85 58 T E E 64.91 11.03 15.59 27.40 124.26 -159.45 -119.31 137.59 7.02 92.92 0.06 6.41 0.50 0.06 0.02 0.02 0.00 92.78 0.22 59 I E E 45.32 12.71 16.07 30.15 121.64 -163.88 -116.71 130.51 0.86 99.13 0.01 0.81 0.04 0.00 0.00 0.00 0.00 99.12 0.03 60 V E E 71.70 10.51 17.64 29.03 121.47 -163.19 -115.85 130.52 0.70 99.29 0.01 0.65 0.02 0.00 0.00 0.00 0.00 99.29 0.02 61 R E E 83.03 10.89 17.73 29.53 131.07 176.73 -136.41 145.38 3.55 96.42 0.02 3.25 0.18 0.02 0.00 0.01 0.00 96.46 0.07 62 N E E 85.55 6.68 20.78 28.12 112.34 -119.78 -82.15 129.42 9.65 90.28 0.07 8.01 1.13 0.14 0.01 0.04 0.00 90.43 0.24 63 V E E 21.87 20.59 10.67 30.69 119.36 -160.87 -104.70 130.17 21.24 78.66 0.10 20.09 0.99 0.10 0.04 0.05 0.00 74.78 3.94 64 K C C 145.24 2.49 19.53 21.97 104.05 -158.61 -94.26 33.55 64.40 35.48 0.12 34.27 30.38 1.07 0.02 0.12 0.00 32.85 1.29 65 G C S 32.09 3.78 20.60 24.50 138.97 -6.70 140.71 -176.63 80.80 19.18 0.02 4.20 74.99 1.12 0.00 0.02 0.00 19.41 0.26 66 P C C 79.66 5.80 19.62 26.06 114.29 -39.86 -67.84 143.86 78.97 21.00 0.03 69.45 8.09 0.34 0.00 0.04 0.00 21.36 0.72 67 C E C 15.05 23.01 10.59 32.74 123.88 -155.43 -114.24 142.95 40.50 59.43 0.07 41.09 0.97 0.07 0.04 0.03 0.00 33.88 23.91 68 K C C 105.80 4.06 23.26 27.44 130.98 -165.30 -119.82 159.11 69.50 30.41 0.09 69.28 1.46 0.14 0.03 0.05 0.00 21.76 7.28 69 E C T 112.08 8.82 15.39 25.14 109.32 -80.27 -59.63 135.13 96.22 1.34 2.44 0.50 2.87 93.62 0.22 1.77 0.00 0.75 0.27 70 N C T 109.66 3.75 19.69 24.03 93.95 21.10 80.14 -1.98 96.44 0.74 2.82 0.97 3.85 91.83 0.25 2.47 0.00 0.53 0.11 71 D C C 36.68 14.86 14.81 30.14 117.55 127.11 -77.65 146.67 84.73 10.92 4.35 75.30 7.72 1.65 0.75 3.43 0.00 10.26 0.90 72 M E E 73.91 11.01 22.03 33.30 121.64 -141.93 -109.65 133.54 15.35 82.88 1.77 14.38 0.92 0.35 1.59 0.41 0.00 76.81 5.53 73 L E E 11.72 23.06 17.66 40.60 124.62 -164.95 -115.47 139.56 8.87 88.15 2.97 7.60 0.74 0.45 2.60 0.53 0.00 87.46 0.62 74 S E E 35.19 11.67 24.37 36.18 123.23 -160.34 -115.56 137.43 11.70 83.40 4.90 9.98 0.89 0.58 4.24 0.66 0.00 83.15 0.50 75 L E E 24.55 20.21 16.57 36.43 113.41 -144.18 -88.49 126.93 27.40 59.88 12.72 22.64 2.63 1.59 10.52 2.04 0.00 59.55 1.04 76 M C C 80.30 8.99 19.80 29.11 106.49 -151.24 -81.69 79.79 46.19 26.90 26.91 34.39 6.50 3.89 22.23 4.64 0.03 26.95 1.38 77 E C H 95.01 7.33 18.05 25.89 101.05 -72.07 -74.21 -16.00 47.15 13.93 38.93 32.54 8.46 5.65 33.66 5.60 0.04 12.80 1.24 78 T H H 48.52 9.72 15.49 26.25 98.81 80.21 -76.88 -29.88 41.74 5.89 52.37 32.56 5.11 4.77 46.20 5.61 0.01 4.95 0.78 79 E H H 84.88 8.11 15.28 24.42 93.97 65.06 -65.78 -38.84 17.49 1.46 81.05 12.63 2.91 3.83 74.84 4.42 0.01 1.10 0.26 80 R H H 125.78 3.01 16.61 19.97 92.90 52.62 -66.02 -40.43 10.90 0.73 88.38 6.49 1.93 3.59 82.63 4.62 0.03 0.54 0.15 81 E H H 88.21 3.81 15.40 20.25 92.56 50.67 -66.03 -39.59 10.40 0.60 89.00 5.43 1.73 4.01 82.97 5.23 0.03 0.46 0.14 82 A H H 35.49 7.15 11.35 20.71 92.05 52.80 -65.20 -38.83 12.03 0.41 87.56 5.77 1.96 4.75 80.36 6.74 0.02 0.28 0.12 83 R H H 138.37 2.83 12.73 16.74 92.25 53.55 -65.75 -37.52 19.10 0.45 80.46 6.85 2.56 9.48 70.72 9.93 0.03 0.27 0.17 84 R H H 161.91 1.46 11.73 13.66 92.67 53.97 -68.21 -30.86 33.63 0.57 65.79 8.61 3.62 20.67 57.67 8.80 0.05 0.32 0.27 85 L C H 110.01 3.13 9.37 13.97 95.90 53.96 -78.22 -13.80 52.62 0.82 46.56 25.87 1.98 24.02 42.49 4.75 0.00 0.40 0.48 86 R C C 163.70 3.13 11.62 16.41 101.87 75.15 -70.82 49.13 99.79 0.08 0.13 99.43 0.16 0.24 0.10 0.01 0.00 0.04 0.01