# 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 A C C 46.25 8.16 13.28 22.89 118.55 -137.16 -84.49 149.41 99.85 0.13 0.02 99.74 0.15 0.03 0.01 0.00 0.00 0.06 0.01 1 T C C 63.89 4.06 15.18 20.19 120.66 -128.36 -85.66 161.13 76.74 20.52 2.73 74.74 1.25 0.31 2.75 0.15 0.00 2.97 17.82 2 V H H 73.62 9.51 10.58 21.15 92.96 -107.85 -59.34 -38.10 4.20 0.06 95.74 1.18 0.69 2.38 92.66 3.04 0.01 0.03 0.02 3 N H H 103.66 2.42 13.46 16.84 92.06 54.82 -66.10 -35.71 2.73 0.04 97.22 0.58 0.30 1.85 93.29 3.95 0.01 0.03 0.01 4 Q H H 99.73 2.53 13.88 17.02 93.06 52.31 -67.63 -36.81 1.91 0.05 98.04 0.39 0.22 1.28 93.87 4.19 0.01 0.04 0.01 5 L H H 61.02 8.97 11.08 21.41 93.39 52.75 -68.77 -35.61 4.90 0.12 94.99 0.88 0.59 3.51 92.23 2.68 0.02 0.07 0.03 6 V H H 77.61 6.91 12.05 20.22 95.53 53.52 -76.47 -20.65 30.22 0.50 69.28 4.07 3.30 22.93 67.23 1.90 0.09 0.22 0.25 7 R C H 166.43 1.74 13.82 15.79 97.28 60.22 -79.53 -15.73 53.04 0.59 46.37 7.89 9.67 34.42 45.52 1.90 0.07 0.21 0.33 8 K C S 131.27 3.31 12.06 16.97 114.52 64.01 -98.41 120.96 94.10 0.57 5.32 24.77 64.95 4.04 4.97 0.70 0.00 0.18 0.39 9 P C C 84.66 5.88 10.79 18.61 114.19 -118.51 -68.01 147.09 91.71 1.20 7.09 80.69 5.33 6.02 3.88 2.84 0.00 0.66 0.59 10 R C C 136.09 6.87 10.55 19.04 113.78 -113.87 -81.36 137.33 87.33 4.64 8.03 71.94 9.26 5.80 4.30 3.66 0.00 2.39 2.65 11 A C C 74.94 4.74 11.72 18.34 114.45 -135.10 -91.56 135.86 87.08 5.80 7.12 72.13 10.87 3.97 3.92 3.16 0.00 3.66 2.28 12 R C C 146.42 5.53 11.17 18.68 117.50 -145.20 -97.16 133.86 86.14 7.53 6.33 72.99 10.21 3.05 3.44 2.79 0.00 5.61 1.91 13 K C C 139.51 3.63 13.01 18.43 115.12 -136.68 -90.40 133.13 83.56 11.35 5.09 74.13 6.92 2.35 2.88 2.15 0.00 8.77 2.80 14 V C C 80.17 9.65 10.10 20.72 117.34 -141.89 -98.10 131.49 81.30 14.78 3.92 73.75 5.51 1.65 2.46 1.53 0.00 11.05 4.05 15 A C C 63.31 6.25 12.36 20.20 117.88 -151.92 -98.80 140.69 83.74 12.70 3.57 74.30 6.83 2.16 1.98 1.58 0.00 10.10 3.04 16 K C C 142.25 4.18 12.48 18.67 115.05 -124.03 -95.38 131.25 86.49 9.83 3.68 74.72 7.95 3.54 1.57 2.00 0.00 7.44 2.78 17 S C C 59.49 7.81 10.11 19.26 123.19 -161.70 -115.62 156.05 91.71 5.92 2.37 52.41 20.63 19.00 0.68 1.60 0.00 4.39 1.29 18 N C S 137.15 1.12 14.81 15.65 98.36 -135.24 -87.79 6.85 94.05 4.45 1.50 36.71 38.62 19.12 0.36 1.10 0.00 3.15 0.93 19 V C S 52.56 10.41 10.09 22.00 118.52 108.46 -93.97 137.71 95.10 4.56 0.34 39.04 56.41 0.60 0.20 0.12 0.00 2.34 1.27 20 P C C 62.39 5.38 17.45 24.05 113.61 -104.83 -65.00 148.09 93.26 4.85 1.89 90.64 2.18 0.90 1.34 0.39 0.00 2.35 2.20 21 A H H 37.44 14.19 14.93 29.46 93.13 -111.64 -59.50 -36.72 18.06 0.31 81.63 4.44 2.65 9.64 42.15 40.81 0.02 0.19 0.11 22 L H G 40.74 17.52 14.52 31.61 92.05 58.45 -67.38 -27.44 10.38 0.20 89.42 1.59 1.17 6.56 43.30 47.18 0.01 0.14 0.04 23 E H G 119.97 4.45 19.32 24.69 92.12 59.38 -70.72 -23.70 9.09 0.11 90.79 1.29 0.98 5.77 44.43 47.42 0.01 0.08 0.03 24 A H H 50.49 9.45 16.32 26.71 94.67 55.46 -84.17 -10.70 33.97 0.34 65.69 4.75 6.07 21.37 33.97 33.36 0.07 0.15 0.25 25 C C C 20.66 18.75 11.15 29.52 113.21 79.05 -105.48 116.31 98.69 0.51 0.80 53.49 43.98 1.10 0.32 0.41 0.00 0.12 0.57 26 P C T 84.66 4.98 18.34 24.43 94.66 -156.85 -65.98 -22.15 88.33 0.52 11.14 9.75 12.53 64.28 0.90 11.95 0.00 0.29 0.29 27 Q C T 101.32 7.29 18.43 26.26 99.72 52.09 -89.25 8.12 87.38 2.12 10.50 13.69 11.93 60.72 0.96 10.63 0.00 1.43 0.63 28 K C C 63.32 18.08 15.11 32.16 112.54 139.37 -74.69 129.47 82.21 9.78 8.00 67.43 9.47 4.86 1.05 7.88 0.00 7.74 1.56 29 R C C 103.51 9.46 23.33 33.25 129.92 162.28 -127.10 151.98 71.60 27.28 1.12 55.36 13.02 2.63 0.23 1.01 0.00 25.30 2.44 30 G E E 12.52 15.65 21.75 36.92 142.98 108.56 150.88 -171.69 24.43 75.41 0.17 16.30 7.83 0.91 0.02 0.13 0.00 74.26 0.54 31 V E E 50.04 11.10 24.71 36.46 123.74 -87.22 -116.26 137.96 4.29 95.69 0.02 3.84 0.33 0.02 0.01 0.01 0.00 95.51 0.29 32 C E E 12.31 22.54 15.04 37.81 110.72 -126.39 -81.04 123.98 1.88 98.11 0.01 1.80 0.06 0.00 0.00 0.00 0.00 98.03 0.10 33 T E E 60.76 7.78 21.95 30.52 100.30 177.22 -94.86 -29.68 5.49 94.49 0.01 2.54 2.45 0.18 0.00 0.01 0.00 94.78 0.04 34 R E E 106.12 5.68 23.77 30.11 135.11 3.64 -146.72 147.76 4.38 95.60 0.02 1.78 2.04 0.23 0.00 0.01 0.00 95.90 0.03 35 V E E 46.17 19.42 14.75 33.13 122.36 -155.55 -118.06 128.44 2.95 97.03 0.02 2.48 0.23 0.02 0.00 0.01 0.00 97.22 0.03 36 Y E E 73.51 9.39 20.50 30.94 128.30 -175.07 -126.05 146.68 0.94 99.06 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.12 0.02 37 T E E 63.66 11.80 17.04 29.28 123.05 -149.96 -112.14 136.90 1.95 98.05 0.00 1.72 0.09 0.00 0.00 0.00 0.00 98.16 0.03 38 T E E 40.59 12.02 15.05 28.28 127.78 -171.83 -123.70 146.79 9.34 90.65 0.01 8.21 0.88 0.04 0.00 0.01 0.00 90.41 0.46 39 T C E 86.25 4.53 17.24 23.03 116.19 -128.20 -97.58 130.72 51.79 48.18 0.02 45.78 4.27 0.11 0.00 0.02 0.00 49.29 0.52 40 P C C 40.52 13.82 8.63 22.67 115.83 -114.80 -66.83 148.69 73.48 26.28 0.24 67.08 4.57 0.83 0.05 0.22 0.00 25.41 1.85 41 K C S 161.43 1.41 13.33 15.05 96.84 -138.06 -77.41 -23.64 96.20 3.62 0.18 26.24 67.66 2.58 0.02 0.18 0.00 2.54 0.78 42 K C S 133.46 1.90 11.62 14.47 124.95 38.94 -121.68 143.22 96.23 3.16 0.61 12.37 77.28 6.75 0.07 0.52 0.00 1.39 1.61 43 P C T 109.85 2.10 10.73 13.98 106.86 -83.57 -63.89 138.00 95.37 0.30 4.33 3.60 10.96 79.19 0.12 5.82 0.00 0.18 0.13 44 N C T 124.33 2.30 11.95 15.05 97.79 18.70 54.47 20.07 94.09 0.62 5.29 4.93 11.26 76.32 0.18 6.68 0.00 0.42 0.21 45 S C C 54.48 7.03 11.11 19.67 111.36 118.82 -92.91 134.00 86.81 6.90 6.29 52.52 22.89 10.00 0.48 7.45 0.00 3.85 2.81 46 A C C 47.06 7.02 14.85 23.32 118.72 -110.23 -85.65 150.38 87.36 11.92 0.72 63.60 21.41 2.37 0.14 0.71 0.00 9.96 1.83 47 L C C 67.33 11.02 16.31 28.07 115.46 -116.19 -85.20 135.21 54.36 45.39 0.24 48.26 4.51 0.61 0.05 0.22 0.00 44.89 1.47 48 R E E 59.51 15.30 17.32 32.68 126.07 -169.04 -119.46 145.15 19.41 80.54 0.05 16.40 2.74 0.16 0.01 0.04 0.00 80.28 0.37 49 K E E 62.12 13.08 21.70 34.91 119.14 -127.10 -99.57 136.44 2.75 97.25 0.01 2.42 0.17 0.01 0.00 0.00 0.00 97.32 0.07 50 V E E 17.11 18.25 20.75 39.06 126.43 -165.89 -120.48 139.48 1.45 98.55 0.00 1.36 0.02 0.00 0.00 0.00 0.00 98.60 0.01 51 C E E 7.01 20.35 20.79 41.58 126.92 -163.20 -121.37 147.32 0.71 99.29 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.34 0.00 52 R E E 65.48 12.25 25.50 38.12 118.36 -142.83 -105.19 130.05 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 53 V E E 5.96 23.35 17.77 41.64 124.97 -170.71 -121.67 137.41 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 54 R E E 94.02 7.84 23.96 32.40 114.10 -145.03 -97.43 123.43 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.55 0.04 55 L C C 13.80 20.73 12.25 33.04 122.05 -151.08 -88.33 161.43 50.57 49.30 0.13 49.88 0.74 0.12 0.03 0.07 0.00 48.18 0.98 56 T C T 84.58 6.71 16.13 24.00 92.35 -104.75 -64.22 -23.16 95.32 2.55 2.13 0.97 4.43 90.23 0.06 2.13 0.00 1.94 0.24 57 N C T 97.19 4.66 15.21 21.05 92.93 57.81 -86.43 3.80 97.57 0.24 2.19 0.44 3.34 93.71 0.06 2.27 0.00 0.13 0.05 58 G C S 45.71 3.70 16.76 21.27 98.65 -98.85 91.78 4.81 97.53 0.74 1.73 10.55 80.45 6.67 0.10 1.52 0.00 0.45 0.26 59 F C C 62.72 12.39 13.51 27.13 117.79 134.72 -79.80 142.23 88.38 11.59 0.02 87.94 0.86 0.06 0.00 0.01 0.00 10.67 0.45 60 E E E 94.09 8.81 20.54 30.13 120.36 -144.89 -108.74 132.34 1.15 98.85 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.69 0.15 61 V E E 12.93 21.87 16.56 38.51 127.49 -171.72 -124.73 140.05 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 62 T E E 42.59 12.52 24.46 37.11 126.72 -159.90 -119.53 141.28 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 63 S E E 9.45 22.04 19.75 41.36 133.50 -175.69 -134.55 150.75 1.22 98.78 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.87 0.01 64 Y E E 66.05 12.99 25.31 38.40 121.61 -146.49 -114.18 132.36 2.58 97.41 0.01 2.33 0.12 0.01 0.00 0.00 0.00 97.35 0.18 65 I E E 13.54 21.84 18.05 39.78 119.17 -163.85 -111.51 129.48 29.95 69.87 0.18 26.97 2.08 0.36 0.04 0.12 0.00 69.50 0.93 66 G C C 22.58 11.25 20.85 32.27 119.16 -143.70 -86.00 167.40 80.61 18.45 0.94 52.91 21.93 5.52 0.15 0.92 0.00 17.16 1.41 67 G C S 34.10 10.19 17.28 27.53 110.59 22.79 84.70 -116.87 87.01 6.88 6.12 22.60 43.29 21.69 0.99 4.81 0.02 4.02 2.58 68 E C T 138.78 3.33 16.07 20.65 108.31 -26.94 -77.23 114.58 86.91 4.61 8.48 8.17 22.48 55.98 1.01 7.52 0.02 2.65 2.16 69 G C T 52.69 3.80 16.73 21.30 99.45 15.40 82.12 -0.89 89.42 2.49 8.09 16.09 22.20 50.96 1.02 7.28 0.00 1.48 0.97 70 H C C 71.85 14.59 11.60 25.75 115.44 121.85 -89.50 132.72 80.69 10.28 9.04 52.70 19.21 8.41 3.39 5.65 0.02 5.32 5.30 71 N C C 89.64 4.96 19.34 24.72 107.46 -143.52 -95.33 100.82 77.14 13.16 9.70 58.49 10.44 7.60 5.09 4.60 0.01 7.22 6.54 72 L C C 50.23 18.30 11.32 28.66 96.54 -170.24 -71.24 -18.15 54.50 4.00 41.50 33.18 10.16 11.81 21.58 19.34 0.04 2.26 1.64 73 Q H G 119.77 4.38 16.81 22.62 95.01 72.25 -67.46 -30.98 42.32 2.14 55.54 16.80 9.00 17.13 25.11 29.74 0.08 1.23 0.92 74 E H G 123.02 3.45 17.83 21.79 95.39 49.12 -75.46 -26.20 44.67 1.58 53.75 7.11 8.79 27.97 24.32 29.86 0.22 0.90 0.84 75 H C T 69.98 13.50 15.19 28.56 103.72 32.38 -112.79 11.89 52.89 3.43 43.68 11.90 11.56 29.94 20.58 22.15 0.33 2.13 1.40 76 S C C 30.59 15.75 16.64 32.23 104.97 114.10 -83.47 34.84 70.28 26.06 3.66 52.37 13.95 4.11 1.19 2.22 0.01 24.68 1.48 77 V E E 59.13 10.84 22.40 33.57 123.25 99.10 -116.97 133.68 11.94 87.51 0.55 10.44 1.38 0.33 0.25 0.23 0.00 86.72 0.67 78 I E E 19.87 21.78 17.46 38.98 121.30 -164.90 -114.60 129.94 2.42 97.48 0.10 2.21 0.17 0.05 0.04 0.03 0.00 97.40 0.10 79 L E E 62.31 9.50 24.63 34.60 116.27 -153.04 -103.08 126.64 1.58 98.37 0.05 1.44 0.11 0.02 0.02 0.01 0.00 98.33 0.06 80 I E E 25.02 21.39 15.52 36.48 119.81 -165.99 -110.81 128.12 4.45 95.49 0.06 4.12 0.29 0.05 0.02 0.02 0.00 95.20 0.29 81 R E E 124.53 6.37 21.43 28.50 119.37 -168.03 -108.61 134.13 27.39 72.16 0.45 20.73 5.38 1.64 0.10 0.34 0.00 71.15 0.66 82 G C E 33.85 10.23 16.37 26.92 123.96 -63.23 110.14 164.53 62.23 37.00 0.77 22.74 29.36 10.49 0.07 0.79 0.00 35.71 0.84 83 G C E 34.85 8.05 15.56 24.74 122.87 62.83 126.81 -176.15 66.09 32.83 1.08 30.34 27.90 8.83 0.12 1.13 0.00 30.40 1.29 84 R C C 145.65 5.17 15.00 21.84 119.68 -88.13 -104.05 138.68 59.47 39.32 1.22 45.97 10.05 2.86 0.40 1.09 0.00 33.46 6.18 85 V C C 75.20 10.62 9.68 20.95 115.37 -138.58 -94.08 130.71 71.86 27.65 0.50 69.94 1.37 0.63 0.21 0.26 0.00 22.00 5.59 86 K C C 147.30 2.96 14.68 19.02 109.48 -131.72 -83.57 119.11 99.76 0.23 0.01 99.76 0.07 0.02 0.00 0.00 0.00 0.14 0.01