# 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 122.19 4.62 10.76 16.98 114.84 -147.83 -92.82 130.46 99.79 0.19 0.02 99.72 0.10 0.04 0.01 0.00 0.00 0.09 0.02 1 T C C 93.93 3.72 8.69 14.41 116.13 -154.96 -96.78 140.34 88.58 7.83 3.59 85.57 1.09 2.81 1.67 1.14 0.00 5.39 2.32 2 K C C 154.22 2.10 8.98 12.83 113.47 -134.20 -91.45 132.37 80.49 13.64 5.87 59.25 13.83 7.21 2.49 3.36 0.00 10.72 3.14 3 R C C 159.26 3.28 8.94 14.27 115.93 -148.13 -98.62 133.98 78.15 15.29 6.55 59.14 12.85 5.75 2.99 3.69 0.01 12.15 3.43 4 T C C 83.42 6.34 8.82 16.78 117.75 -151.65 -101.90 138.60 77.82 16.24 5.94 63.77 8.94 4.34 3.14 2.91 0.00 13.32 3.57 5 K C C 142.42 2.98 12.06 16.78 117.16 -142.65 -98.77 135.54 74.54 18.63 6.83 52.66 16.48 5.16 4.12 2.85 0.02 15.74 2.98 6 K C C 135.74 4.59 10.84 17.47 114.05 -122.52 -85.79 130.53 70.17 22.98 6.84 53.39 11.23 4.75 4.26 2.85 0.02 19.02 4.48 7 V C C 88.51 5.89 10.56 18.16 117.74 -169.19 -110.46 134.63 68.97 23.91 7.12 50.79 12.06 4.90 5.06 2.65 0.03 17.55 6.96 8 G C C 39.12 4.55 13.40 19.21 122.88 4.47 110.04 -173.05 71.75 13.63 14.63 37.84 20.52 14.34 8.11 6.01 0.17 9.80 3.23 9 V C T 97.71 4.78 12.41 18.47 100.35 -50.34 -75.96 -19.70 70.13 8.72 21.15 20.22 20.23 31.31 10.23 9.51 0.27 5.53 2.71 10 T C T 79.87 5.47 11.62 18.46 102.33 63.20 -86.26 -5.50 67.91 10.21 21.88 17.57 17.84 33.55 9.87 10.89 0.39 6.32 3.56 11 G C C 40.86 6.24 11.45 18.99 100.72 62.89 -37.87 -33.74 67.84 7.85 24.31 28.03 18.13 23.16 7.26 15.87 0.07 4.74 2.75 12 K C T 146.32 2.60 12.78 16.35 98.99 47.81 -79.19 -19.70 70.00 8.43 21.58 17.59 18.65 35.19 6.21 14.00 0.14 5.63 2.59 13 Y C T 155.83 3.35 11.59 16.19 102.87 49.08 -96.58 6.73 70.46 11.88 17.66 19.74 18.88 33.67 5.76 10.48 0.21 7.75 3.50 14 G C C 40.59 5.02 11.76 18.22 122.44 -95.38 69.75 175.63 77.42 16.83 5.75 40.89 26.77 10.73 2.54 3.18 0.03 11.72 4.15 15 V C C 95.17 5.10 11.12 17.87 115.33 -70.15 -89.49 136.57 67.65 23.52 8.82 43.42 15.20 8.70 5.20 4.04 0.06 16.91 6.46 16 R C C 162.62 3.19 11.94 16.68 104.49 -151.29 -85.92 49.40 67.56 20.99 11.46 40.67 15.53 11.56 7.23 4.53 0.09 15.76 4.62 17 Y C C 136.31 5.30 10.95 17.56 112.20 60.43 -101.54 118.19 69.08 15.88 15.04 34.84 20.52 14.38 11.36 4.04 0.14 10.98 3.73 18 G C C 33.43 4.83 13.87 19.98 120.57 -75.37 91.63 166.96 77.61 5.45 16.94 50.83 15.67 9.96 15.74 2.71 0.01 3.41 1.66 19 A H H 68.06 4.46 12.01 17.85 93.77 -83.99 -63.41 -34.70 16.02 0.77 83.21 8.10 3.61 5.60 78.96 2.99 0.03 0.48 0.23 20 S H H 71.97 1.68 15.31 16.57 92.41 54.37 -65.22 -38.83 10.31 0.82 88.88 4.77 1.80 4.69 84.50 3.39 0.05 0.61 0.19 21 L H H 65.74 6.67 13.62 21.91 92.44 50.95 -66.51 -39.53 5.34 0.63 94.02 2.93 0.89 2.13 90.22 3.15 0.02 0.54 0.11 22 R H H 89.61 9.88 13.48 24.25 92.09 53.10 -63.85 -40.36 3.93 0.54 95.53 2.23 0.60 1.50 93.29 1.83 0.01 0.45 0.09 23 R H H 134.03 2.45 17.63 19.94 92.08 51.04 -64.64 -40.27 4.65 0.77 94.58 2.28 0.66 2.00 92.68 1.57 0.02 0.67 0.12 24 D H H 77.01 3.32 17.50 21.19 92.32 50.26 -65.95 -39.67 6.26 1.02 92.72 2.91 0.87 2.80 90.63 1.71 0.02 0.89 0.17 25 V H H 44.27 11.03 14.18 26.33 92.83 50.99 -65.16 -40.80 7.12 1.35 91.53 3.36 1.06 3.05 89.27 1.87 0.02 1.16 0.20 26 R H H 120.97 6.94 16.53 24.47 92.02 53.21 -64.18 -39.72 11.27 1.91 86.82 4.78 1.48 5.25 83.99 2.54 0.04 1.63 0.29 27 K H H 128.56 2.50 17.92 20.49 92.47 51.79 -66.16 -37.96 18.05 1.90 80.06 6.35 2.51 9.60 76.23 3.34 0.09 1.50 0.37 28 I H H 71.65 7.90 15.64 24.79 94.35 50.66 -69.34 -38.74 21.36 4.12 74.52 11.07 3.90 7.35 70.30 3.35 0.07 3.27 0.69 29 E H H 76.26 9.99 15.60 26.38 95.23 53.53 -68.85 -35.94 24.78 9.55 65.68 15.62 3.68 6.17 60.99 3.93 0.07 8.40 1.14 30 V H H 66.65 8.37 15.73 24.97 95.32 52.11 -69.07 -34.52 26.25 11.65 62.10 16.15 4.22 6.80 55.89 4.95 0.10 10.56 1.33 31 Q H H 88.71 7.00 16.29 24.18 96.90 50.41 -83.59 -13.34 32.31 11.13 56.56 19.13 4.78 9.34 49.42 5.86 0.13 9.75 1.60 32 Q C H 87.81 9.82 13.72 24.28 97.78 84.72 -71.55 -19.71 45.79 9.47 44.73 18.12 9.24 18.81 37.86 6.33 0.38 7.50 1.75 33 H C H 121.67 5.57 15.37 21.99 100.28 46.68 -94.19 10.18 57.92 10.81 31.27 23.61 11.55 23.14 25.18 5.96 0.26 8.26 2.04 34 S C C 43.88 9.23 13.49 24.13 118.06 123.63 -83.69 148.21 78.70 14.73 6.56 58.98 12.83 6.41 4.12 2.47 0.00 13.59 1.60 35 R C C 148.58 5.06 16.35 23.15 116.93 -121.73 -95.26 132.04 55.61 41.60 2.79 43.53 8.44 3.06 1.35 1.38 0.00 40.17 2.07 36 Y E E 60.27 13.66 13.13 27.63 131.61 174.69 -132.72 151.22 17.53 81.30 1.17 14.51 3.05 0.92 0.80 0.55 0.00 77.51 2.65 37 Q E E 109.45 4.14 19.49 24.41 117.02 -124.82 -98.86 132.16 11.75 87.99 0.26 10.16 0.85 0.13 0.24 0.09 0.00 71.08 17.44 38 C C C 12.75 19.21 8.89 28.17 110.00 -119.21 -73.56 125.48 92.54 7.42 0.04 92.41 0.74 0.09 0.01 0.02 0.00 5.94 0.78 39 P C T 92.70 3.26 17.20 21.38 92.25 -147.80 -68.16 -23.51 99.48 0.18 0.35 0.83 6.69 91.99 0.02 0.32 0.00 0.12 0.04 40 F C T 111.47 6.75 14.73 22.60 100.46 45.42 -83.38 -40.28 99.51 0.12 0.37 0.17 3.84 95.60 0.01 0.30 0.00 0.06 0.03 41 C C T 61.68 6.42 13.12 21.19 103.32 19.12 -108.56 -13.17 99.52 0.17 0.31 0.60 5.00 93.98 0.01 0.29 0.00 0.09 0.03 42 G C C 51.07 3.10 14.07 18.43 96.18 -120.16 80.48 6.52 98.40 1.36 0.24 79.21 13.45 5.70 0.06 0.20 0.00 0.85 0.53 43 R C C 114.77 5.38 13.28 20.68 118.81 136.29 -83.80 146.19 91.05 8.81 0.14 80.67 10.12 0.51 0.04 0.11 0.00 7.01 1.55 44 N E E 99.26 6.20 15.91 23.55 111.30 -120.79 -86.35 131.00 14.27 85.40 0.33 11.56 2.05 0.35 0.23 0.16 0.00 67.25 18.39 45 T E E 44.27 11.87 16.66 29.16 133.46 165.11 -134.18 156.20 25.08 74.70 0.22 22.57 2.13 0.29 0.09 0.12 0.00 73.48 1.32 46 V E E 33.07 17.71 15.23 32.94 123.25 -138.87 -117.36 134.37 34.70 64.85 0.45 31.43 2.25 0.42 0.21 0.25 0.00 61.37 4.07 47 K C C 108.60 6.28 21.82 28.91 122.03 -156.29 -112.03 136.72 54.06 45.12 0.82 47.25 5.03 0.96 0.32 0.51 0.00 43.78 2.16 48 R C C 76.95 16.87 12.30 28.56 111.65 -123.14 -80.23 124.78 63.18 35.12 1.69 53.82 6.71 1.96 0.62 1.12 0.00 32.77 2.98 49 T C C 87.20 4.38 18.70 23.83 101.45 177.66 -100.25 -15.37 67.74 30.48 1.78 49.35 15.11 3.91 0.54 1.39 0.01 26.54 3.15 50 A C C 46.64 6.63 17.76 25.34 136.21 14.32 -138.28 163.93 65.21 32.60 2.19 29.57 28.88 8.94 0.59 1.75 0.05 23.98 6.24 51 A C T 64.51 8.02 18.10 26.67 109.88 -84.75 -69.37 134.17 91.03 7.32 1.65 6.82 29.60 55.29 0.22 1.39 0.00 5.43 1.27 52 G C T 21.98 11.25 19.04 30.70 99.97 21.36 88.06 -7.50 88.42 10.99 0.59 7.36 28.38 52.66 0.03 0.62 0.00 10.44 0.51 53 I E E 50.90 12.13 18.62 31.81 118.76 102.48 -107.06 129.28 17.87 82.07 0.06 14.62 2.84 0.29 0.02 0.05 0.00 81.17 1.02 54 W E E 40.26 16.84 17.46 34.79 127.68 -174.43 -122.19 143.44 2.91 97.09 0.01 2.62 0.16 0.01 0.00 0.00 0.00 96.94 0.25 55 C E E 48.81 9.77 22.32 32.68 122.32 -151.16 -110.71 136.05 3.50 96.49 0.01 3.18 0.17 0.02 0.00 0.00 0.00 96.29 0.34 56 C E E 18.42 18.48 12.48 31.12 120.71 -148.69 -103.50 138.02 33.30 66.60 0.10 30.25 1.64 0.21 0.02 0.07 0.00 67.01 0.79 57 N C C 94.45 4.65 18.07 23.42 108.29 -147.70 -97.50 117.92 64.70 34.36 0.94 45.01 15.68 4.08 0.14 0.93 0.00 32.75 1.42 58 G C S 40.36 6.59 12.87 20.72 122.58 53.50 -56.96 -42.85 80.52 14.22 5.26 15.69 38.46 27.66 0.48 4.84 0.02 10.60 2.25 59 K C T 166.98 1.22 14.58 15.54 103.47 -32.85 -75.31 78.99 90.48 1.30 8.21 4.82 26.78 58.48 0.52 8.03 0.00 0.78 0.58 60 G C T 48.54 3.67 14.35 18.76 102.82 5.97 83.97 -6.24 89.76 3.13 7.11 7.41 26.26 55.87 0.45 7.04 0.01 2.16 0.80 61 C C C 41.19 13.86 9.74 23.48 114.78 82.88 -102.69 118.98 64.15 32.31 3.54 40.33 14.24 10.94 0.59 3.33 0.01 27.05 3.51 62 K C E 137.41 3.97 16.03 21.32 103.91 -160.75 -101.29 22.74 50.02 49.21 0.77 36.80 10.23 3.00 0.15 0.65 0.00 47.80 1.38 63 K E E 101.79 7.85 15.28 24.47 122.83 130.81 -103.40 143.85 24.01 75.80 0.20 19.62 3.43 0.54 0.04 0.14 0.00 75.62 0.61 64 V E E 79.58 10.02 15.95 26.99 123.37 -152.07 -114.19 135.89 4.36 95.59 0.05 4.03 0.27 0.04 0.02 0.02 0.00 95.14 0.48 65 L E E 51.20 14.11 14.68 29.34 123.42 -165.11 -116.90 137.88 4.61 95.35 0.05 4.36 0.24 0.04 0.02 0.02 0.00 94.29 1.03 66 A E E 64.62 6.87 18.08 26.01 122.67 -144.80 -97.10 144.44 40.41 59.14 0.45 29.08 9.30 2.44 0.08 0.38 0.00 57.93 0.78 67 G C C 36.33 6.16 18.27 25.56 127.10 36.76 116.00 -174.80 76.11 22.32 1.57 32.42 31.22 13.54 0.17 1.51 0.00 19.49 1.64 68 G C C 31.80 9.61 17.75 27.60 125.37 -74.67 -81.15 -162.61 83.26 12.38 4.36 43.00 25.40 15.58 0.56 4.28 0.01 8.57 2.61 69 A C S 48.96 13.55 15.64 28.85 97.27 -61.33 -75.31 -16.37 84.80 8.86 6.34 23.33 37.36 24.89 0.76 5.57 0.01 6.00 2.08 70 W C S 125.15 10.30 17.49 27.77 104.29 59.43 -95.04 2.04 75.68 17.80 6.52 27.85 31.97 17.70 1.39 4.89 0.08 10.94 5.18 71 T C C 69.33 7.29 20.22 28.09 115.48 49.77 -108.78 122.89 79.67 16.92 3.41 57.72 16.20 5.34 1.22 2.46 0.01 11.99 5.06 72 V C C 49.05 16.82 12.45 28.66 104.97 -155.19 -86.81 66.28 83.40 14.29 2.31 65.63 12.54 4.69 1.13 1.34 0.00 9.54 5.14 73 T C C 94.07 4.15 17.57 22.50 100.64 113.14 -98.07 3.69 92.58 5.81 1.61 66.99 22.07 3.74 0.85 0.81 0.00 3.36 2.18 74 T C S 52.53 7.70 13.28 22.64 126.44 96.82 -103.67 159.83 93.04 3.43 3.53 35.79 56.09 1.26 3.42 0.38 0.00 0.79 2.27 75 A H H 82.13 2.09 17.20 19.41 91.58 -110.32 -59.53 -37.30 6.88 0.06 93.05 1.41 1.83 3.72 92.04 0.94 0.02 0.02 0.03 76 A H H 50.25 6.88 17.17 24.95 91.77 53.24 -65.02 -39.64 4.61 0.06 95.33 1.08 0.60 2.82 94.34 1.10 0.01 0.03 0.02 77 A H H 13.52 16.13 13.95 30.92 91.96 50.83 -64.94 -41.40 1.70 0.03 98.27 0.65 0.21 0.81 97.38 0.93 0.00 0.02 0.01 78 T H H 63.54 5.66 19.70 26.05 91.90 51.14 -64.02 -41.40 0.86 0.02 99.13 0.33 0.09 0.37 98.84 0.35 0.00 0.01 0.00 79 S H H 59.35 2.85 21.81 23.83 91.75 49.72 -64.41 -41.51 1.00 0.02 98.98 0.32 0.10 0.49 98.84 0.24 0.00 0.01 0.00 80 A H H 28.62 11.86 17.96 30.63 91.91 50.40 -64.64 -41.95 0.84 0.01 99.15 0.25 0.07 0.41 99.10 0.15 0.00 0.01 0.00 81 R H H 92.82 11.42 18.63 29.97 91.96 51.17 -63.80 -41.23 0.59 0.01 99.40 0.20 0.05 0.26 99.41 0.08 0.00 0.00 0.00 82 S H H 55.70 2.91 20.85 23.20 91.47 50.58 -63.93 -41.66 0.59 0.00 99.41 0.18 0.04 0.27 99.45 0.06 0.00 0.00 0.00 83 T H H 58.79 5.21 19.43 25.12 91.91 50.09 -64.70 -41.57 0.33 0.00 99.67 0.07 0.02 0.17 99.70 0.04 0.00 0.00 0.00 84 I H H 44.59 11.77 16.18 28.84 91.96 50.27 -64.50 -41.96 0.17 0.00 99.83 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 85 R H H 117.74 4.22 18.49 23.27 91.66 50.80 -63.80 -41.24 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 86 R H H 131.49 2.07 18.36 19.73 91.74 50.21 -64.56 -41.43 0.33 0.00 99.67 0.04 0.02 0.21 99.68 0.05 0.00 0.00 0.00 87 L H H 67.34 6.15 15.49 22.84 91.90 50.06 -65.11 -40.73 0.49 0.00 99.51 0.06 0.03 0.30 99.52 0.09 0.00 0.00 0.00 88 R H H 108.99 5.84 14.39 21.24 91.98 51.38 -64.61 -40.52 1.12 0.00 98.87 0.18 0.07 0.71 98.81 0.23 0.00 0.00 0.00 89 E H H 112.27 1.82 14.29 16.11 91.82 50.64 -65.11 -39.15 3.09 0.01 96.89 0.45 0.21 2.14 96.60 0.58 0.00 0.01 0.00 90 M H H 113.31 2.15 12.30 15.09 92.87 50.68 -67.87 -34.29 7.31 0.04 92.65 1.18 0.64 5.03 92.07 1.03 0.01 0.02 0.02 91 V H H 92.52 3.87 9.98 15.13 94.62 51.34 -72.97 -27.25 23.30 0.26 76.45 4.62 2.53 15.67 75.56 1.37 0.03 0.10 0.13 92 E C H 141.07 1.65 10.22 12.75 97.28 55.70 -79.39 -11.00 54.24 0.59 45.17 22.95 1.67 27.05 46.36 1.42 0.00 0.24 0.31 93 V C C 100.75 3.11 10.36 14.96 103.87 83.89 -81.66 45.88 99.73 0.12 0.15 99.44 0.17 0.17 0.13 0.01 0.00 0.06 0.02