# 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 129.98 3.22 10.15 15.30 116.84 -156.31 -98.62 136.00 99.79 0.19 0.02 99.74 0.09 0.04 0.01 0.00 0.00 0.10 0.02 1 Q C C 138.24 2.03 8.73 12.54 116.24 -145.84 -97.53 134.23 83.80 9.35 6.86 78.69 1.57 4.32 3.35 2.39 0.00 6.91 2.76 2 A C C 84.39 2.64 7.03 11.70 117.48 -149.30 -100.85 137.51 78.04 11.89 10.07 53.30 13.04 11.83 4.03 5.83 0.01 9.00 2.95 3 L C C 131.75 1.93 7.98 11.66 112.60 -145.39 -97.85 127.08 75.52 12.76 11.72 47.11 15.17 13.67 4.18 7.31 0.02 9.68 2.87 4 S C C 83.84 2.53 8.34 12.75 118.31 -154.86 -105.09 140.80 77.59 11.53 10.89 51.79 14.40 11.95 4.12 6.41 0.02 8.82 2.48 5 S C C 84.24 3.06 8.33 13.37 116.39 -141.21 -100.60 137.53 81.43 10.75 7.81 51.23 18.62 12.20 2.68 4.83 0.01 8.39 2.03 6 R C C 174.72 2.03 9.29 13.02 117.52 -154.46 -106.31 131.47 79.17 15.51 5.31 53.31 20.57 5.83 2.45 2.87 0.02 11.71 3.25 7 V C C 107.87 3.57 8.27 13.81 118.57 -154.90 -102.90 135.46 77.48 17.59 4.93 58.82 12.73 5.51 2.10 2.68 0.01 15.78 2.37 8 N C C 119.25 2.46 9.20 13.42 117.72 -152.30 -103.28 132.07 75.73 20.04 4.23 59.62 10.97 4.45 1.77 2.31 0.01 18.54 2.32 9 I C C 118.55 4.36 8.43 14.73 117.78 -155.89 -104.74 132.46 71.08 24.96 3.96 59.94 7.28 2.90 2.05 1.96 0.01 22.19 3.67 10 A C C 78.61 3.13 10.03 14.93 118.35 -152.65 -99.13 140.47 75.06 21.92 3.02 63.87 7.31 3.08 1.45 1.56 0.00 19.14 3.58 11 A C C 79.83 4.18 9.08 15.24 115.41 -131.30 -93.50 136.36 81.91 16.41 1.67 65.17 13.44 2.98 0.70 1.04 0.00 13.34 3.33 12 K C C 137.33 3.37 10.19 15.46 117.48 -149.54 -102.65 135.05 92.22 7.44 0.35 74.05 17.57 0.89 0.13 0.23 0.00 5.66 1.46 13 P C C 99.22 3.90 9.97 15.62 111.20 -109.32 -69.71 144.02 92.02 5.06 2.91 75.58 9.54 6.79 0.77 2.17 0.00 4.01 1.14 14 Q C C 126.99 3.62 9.98 15.32 114.64 -149.10 -97.55 133.02 88.61 5.43 5.95 60.85 16.11 11.67 1.60 4.45 0.00 3.36 1.97 15 R C C 161.38 3.45 10.15 15.37 110.19 -152.39 -93.81 115.44 81.28 7.97 10.75 49.95 18.64 13.07 2.78 8.00 0.02 4.95 2.58 16 A C C 73.57 4.86 10.58 17.01 113.32 -149.60 -94.04 124.85 77.92 9.41 12.67 48.73 17.50 12.05 3.17 9.63 0.01 6.72 2.20 17 Q C C 111.68 5.67 11.75 18.91 116.51 -147.31 -101.18 135.07 74.78 14.15 11.08 53.32 14.12 7.61 2.87 8.23 0.01 11.62 2.21 18 R C C 133.47 7.03 12.96 21.32 119.65 -155.33 -107.37 135.50 68.08 25.57 6.35 49.90 13.72 4.49 2.13 3.95 0.01 23.78 2.02 19 L E E 79.99 10.19 13.63 24.66 118.49 -151.90 -103.43 134.32 44.92 52.61 2.47 37.61 5.71 1.52 1.26 1.23 0.00 50.56 2.11 20 V E E 73.10 9.19 16.52 26.63 122.66 -162.68 -114.61 134.05 28.66 70.33 1.01 25.54 2.56 0.56 0.62 0.44 0.00 68.00 2.27 21 V E E 48.93 13.64 15.10 29.30 121.92 -159.74 -113.15 134.39 26.62 72.61 0.78 24.20 1.91 0.44 0.48 0.34 0.00 70.11 2.51 22 R E E 111.66 7.61 18.53 26.92 121.49 -160.67 -109.44 139.94 41.91 56.92 1.17 37.31 3.28 0.72 0.74 0.48 0.00 54.88 2.58 23 A C C 42.47 12.93 12.01 25.34 105.54 -126.30 -76.40 69.92 58.03 17.33 24.64 40.97 10.66 6.88 13.35 10.80 0.06 15.42 1.86 24 E C C 116.46 4.64 15.08 20.67 105.29 64.19 -81.31 12.48 60.88 8.54 30.58 36.82 15.01 9.99 16.58 13.59 0.10 6.12 1.78 25 E C C 123.52 4.17 13.98 19.40 103.04 53.24 -80.75 20.34 60.56 6.42 33.02 41.33 11.20 8.25 18.20 15.00 0.06 4.16 1.80 26 V C C 74.29 9.32 10.32 20.43 107.69 92.25 -86.39 97.50 69.19 4.52 26.29 55.79 8.04 5.39 19.39 7.04 0.01 2.75 1.60 27 K C C 143.16 3.06 13.01 17.38 107.35 87.93 -84.30 103.29 79.63 4.13 16.23 66.88 6.85 5.48 12.91 3.64 0.00 2.24 2.00 28 A C C 72.01 4.60 11.32 17.64 114.57 -104.06 -87.32 135.03 88.91 3.16 7.93 74.40 9.93 4.31 5.95 2.03 0.00 1.45 1.93 29 A C C 65.74 6.23 10.69 18.54 114.70 -112.61 -81.38 141.93 97.24 1.35 1.41 86.17 9.99 1.17 0.92 0.39 0.00 0.61 0.74 30 P C C 91.78 4.74 12.00 18.39 113.05 -103.30 -72.13 146.05 97.79 1.01 1.21 93.28 3.61 1.14 0.64 0.36 0.00 0.50 0.47 31 K C C 135.34 4.73 11.87 18.46 112.51 -113.80 -80.53 137.25 95.67 2.38 1.95 90.92 3.64 1.34 1.02 0.67 0.00 1.11 1.29 32 K C C 120.15 6.77 12.20 20.44 112.73 -113.97 -82.42 136.10 93.97 3.73 2.29 88.62 3.99 1.69 0.95 1.07 0.00 2.33 1.35 33 E C C 122.17 6.02 13.95 21.40 109.96 -126.98 -83.12 126.58 89.34 8.41 2.26 78.38 8.26 2.45 0.96 1.28 0.00 4.83 3.85 34 V C C 82.31 8.75 14.90 24.45 112.09 -156.77 -98.37 115.74 85.60 12.86 1.54 67.15 15.30 2.65 0.67 0.91 0.00 5.90 7.40 35 G C C 26.01 12.28 16.21 28.41 131.78 73.92 -140.38 168.76 94.06 5.67 0.27 61.56 31.70 1.47 0.07 0.21 0.00 3.26 1.73 36 P C C 38.85 15.71 14.57 30.18 115.87 -64.51 -71.23 151.69 96.60 3.17 0.23 87.59 8.25 0.73 0.07 0.15 0.00 1.59 1.62 37 K C C 131.65 3.32 20.67 24.60 119.98 -125.40 -91.63 149.15 97.89 1.81 0.30 93.73 3.23 0.74 0.09 0.16 0.00 0.72 1.32 38 R C T 133.35 9.18 14.15 24.44 110.88 -89.25 -61.44 136.09 98.09 1.38 0.52 1.12 4.67 92.60 0.04 0.42 0.00 0.87 0.28 39 G C T 42.23 4.83 18.89 24.74 97.57 26.04 89.16 -6.14 98.73 1.03 0.24 2.02 5.01 91.76 0.01 0.26 0.00 0.87 0.07 40 S C C 26.20 12.66 15.78 29.95 118.37 133.51 -73.99 148.54 88.30 11.63 0.07 85.60 2.32 0.13 0.01 0.06 0.00 11.49 0.39 41 L E E 71.32 9.85 23.06 33.20 118.92 -128.17 -95.69 136.51 4.73 95.25 0.01 4.54 0.22 0.02 0.00 0.01 0.00 94.54 0.67 42 V E E 5.34 24.57 16.99 41.98 130.42 -172.26 -124.83 147.18 2.33 97.65 0.01 2.13 0.11 0.01 0.00 0.01 0.00 97.68 0.05 43 K E E 69.29 10.51 25.65 36.57 118.91 -142.86 -107.43 131.45 2.25 97.68 0.06 1.98 0.19 0.04 0.01 0.04 0.00 97.66 0.07 44 I E E 14.70 21.84 16.72 38.89 110.64 -131.95 -87.07 121.53 9.71 90.16 0.13 8.65 0.88 0.14 0.02 0.09 0.00 89.72 0.49 45 L C C 61.06 10.29 20.62 31.70 99.41 -173.75 -87.05 -26.91 69.98 29.83 0.19 46.79 21.92 1.15 0.02 0.20 0.00 29.13 0.79 46 R C S 80.83 9.61 17.41 28.12 120.17 44.65 -122.35 119.70 86.33 12.37 1.30 40.28 41.91 4.78 0.34 0.94 0.01 9.12 2.62 47 P C T 80.37 9.13 15.33 25.54 93.66 -144.23 -62.67 -26.59 86.65 1.46 11.89 8.52 13.99 62.83 1.36 11.80 0.00 0.92 0.58 48 E C T 125.03 4.07 18.78 23.42 93.70 57.49 -85.43 -3.15 85.48 1.13 13.39 7.56 13.02 63.48 1.83 12.85 0.01 0.68 0.58 49 S C C 18.76 17.06 13.33 30.62 111.51 96.43 -86.64 123.37 75.37 7.21 17.42 37.23 23.34 15.02 3.10 14.24 0.04 3.73 3.30 50 Y C T 83.72 12.19 19.50 32.22 97.22 -156.74 -73.75 -1.32 68.45 9.66 21.89 26.17 16.83 27.44 4.08 16.29 0.10 5.64 3.45 51 W C T 43.25 18.10 18.35 36.03 98.35 96.10 -79.56 -16.47 63.43 13.43 23.13 16.14 17.07 32.36 4.30 17.00 0.22 8.94 3.96 52 F C C 42.38 17.99 16.71 34.05 103.74 62.62 -87.74 64.83 62.32 14.78 22.90 27.59 15.29 21.98 4.57 16.68 0.11 10.28 3.51 53 N C C 89.04 7.67 21.55 29.32 100.20 100.68 -89.94 13.03 72.99 16.96 10.06 31.54 24.96 18.06 2.85 6.49 0.04 13.71 2.35 54 Q C E 75.25 10.57 20.55 31.04 125.99 81.10 -115.89 155.83 63.25 32.72 4.04 24.29 28.10 12.53 1.08 2.62 0.03 29.61 1.74 55 V E E 57.18 13.36 20.72 33.90 120.62 -118.32 -100.27 137.23 31.97 67.09 0.94 26.25 4.41 1.06 0.43 0.48 0.00 66.25 1.11 56 G E E 6.75 18.90 19.41 38.03 141.67 165.97 -152.40 175.16 10.22 89.41 0.38 8.35 1.39 0.29 0.21 0.14 0.00 89.21 0.40 57 K E E 77.93 10.24 26.30 37.24 124.62 -100.53 -115.94 141.46 3.23 96.53 0.24 2.60 0.28 0.07 0.17 0.06 0.00 96.65 0.17 58 V E E 9.51 23.88 18.09 42.10 110.76 -122.64 -84.07 127.09 3.86 95.22 0.92 2.99 0.45 0.16 0.63 0.28 0.00 95.35 0.14 59 V E E 32.51 15.05 23.15 37.74 115.08 150.72 -110.97 -29.32 7.01 91.76 1.22 4.80 1.39 0.48 0.61 0.40 0.00 92.09 0.23 60 S E E 34.17 11.46 24.03 35.80 133.04 -99.88 -137.57 148.94 9.49 89.68 0.83 7.35 1.37 0.40 0.35 0.32 0.00 89.78 0.43 61 V E E 33.12 18.20 15.69 33.58 122.61 -154.03 -117.24 135.32 21.86 76.76 1.37 18.24 3.23 0.95 0.85 0.62 0.00 73.57 2.54 62 D C C 54.38 9.28 14.98 25.77 114.28 -140.64 -94.46 125.86 63.46 34.99 1.55 54.44 5.65 2.04 0.47 0.95 0.00 34.76 1.68 63 Q C T 124.27 5.26 12.90 19.81 96.77 -162.20 -81.08 -8.18 73.91 21.00 5.09 23.01 20.76 32.27 0.81 3.93 0.02 16.88 2.31 64 S C T 83.22 1.87 13.62 15.84 95.68 61.93 -85.82 1.95 92.15 3.87 3.99 15.07 22.49 54.63 0.57 3.50 0.00 2.79 0.95 65 G C S 53.02 3.83 13.05 18.11 97.12 -99.37 82.25 5.38 95.85 2.00 2.15 21.76 37.55 36.32 0.18 2.33 0.00 1.33 0.53 66 V C C 64.55 8.33 12.30 22.25 116.63 132.56 -93.27 139.20 85.05 13.75 1.21 47.83 26.67 11.06 0.21 1.26 0.00 10.01 2.96 67 R C C 131.56 7.29 17.54 25.66 107.90 -133.46 -89.77 77.18 64.59 34.66 0.75 39.51 22.69 3.99 0.23 0.72 0.01 23.83 9.01 68 Y C C 57.09 15.35 17.51 32.83 120.82 31.06 -118.45 131.30 74.63 25.22 0.15 48.73 25.44 1.00 0.03 0.15 0.00 22.72 1.94 69 P C C 34.54 13.79 22.05 36.00 113.97 -121.26 -71.07 145.15 72.41 27.52 0.07 58.50 11.70 0.50 0.01 0.08 0.00 28.53 0.68 70 V E E 7.25 23.52 19.42 43.04 124.60 -159.31 -119.08 137.23 10.13 89.83 0.04 8.07 1.95 0.17 0.01 0.03 0.00 88.92 0.85 71 V E E 29.03 14.08 26.34 40.93 118.19 -153.47 -110.06 126.68 3.89 96.08 0.02 3.38 0.39 0.04 0.01 0.02 0.00 95.84 0.32 72 V E E 4.98 24.62 20.15 45.11 120.08 -165.20 -113.22 129.15 7.40 92.53 0.06 6.45 0.75 0.09 0.02 0.03 0.00 92.37 0.29 73 R E E 78.28 11.23 25.85 37.16 117.98 -161.79 -106.43 130.03 25.40 74.46 0.14 21.87 2.41 0.30 0.03 0.10 0.00 74.67 0.62 74 F C C 17.33 22.34 14.05 36.22 116.20 -153.33 -96.27 129.06 60.93 37.80 1.26 55.17 3.71 1.22 0.33 0.90 0.00 36.61 2.06 75 E C S 112.74 5.48 20.17 26.22 98.95 -164.01 -81.03 -23.53 82.08 15.20 2.72 30.78 30.92 21.30 0.39 2.38 0.01 12.64 1.58 76 N C S 90.96 5.16 19.00 24.72 125.51 18.38 -128.16 139.15 81.47 15.42 3.11 24.88 34.13 23.77 0.43 2.76 0.01 12.07 1.94 77 Q C C 75.64 14.78 12.71 26.89 110.37 -128.35 -94.35 109.78 76.39 19.37 4.24 49.04 19.42 8.19 0.91 3.71 0.01 14.83 3.90 78 N C C 95.62 5.56 18.28 24.73 107.51 97.44 -104.20 72.77 79.98 17.32 2.70 54.68 15.49 9.73 0.51 2.50 0.00 13.87 3.21 79 Y C C 70.85 15.11 11.95 26.76 107.25 141.08 -106.97 38.79 73.87 23.08 3.06 56.47 10.49 5.81 0.87 2.52 0.00 16.69 7.14 80 A C T 72.57 5.41 15.06 22.06 111.35 140.44 -75.56 130.58 77.28 19.47 3.25 21.66 14.87 42.04 0.83 2.32 0.02 14.39 3.87 81 G C T 57.95 2.39 17.46 20.07 96.69 13.49 79.72 1.81 85.76 11.74 2.50 15.37 25.47 45.53 0.40 1.98 0.01 9.80 1.44 82 V C C 45.97 14.93 11.52 26.56 119.03 127.39 -92.71 138.05 73.05 24.26 2.68 55.84 12.98 3.21 1.28 1.68 0.02 15.98 9.00 83 T C C 69.94 6.74 20.10 27.18 114.19 -140.24 -93.36 135.81 75.86 19.20 4.94 64.02 6.79 3.93 2.46 2.59 0.00 13.58 6.63 84 T C C 46.10 17.59 14.83 31.28 98.86 -139.79 -74.86 -15.25 65.12 8.20 26.69 31.92 14.21 20.95 7.32 17.83 0.07 5.00 2.70 85 N C T 85.36 9.03 19.49 28.78 98.65 71.87 -77.92 -12.49 64.53 4.55 30.92 20.68 16.20 29.47 8.80 20.16 0.15 2.49 2.04 86 N C C 74.70 9.71 20.59 30.55 100.04 59.35 -94.97 5.73 63.18 5.55 31.28 27.32 16.25 21.49 8.54 21.02 0.10 2.94 2.33 87 Y C C 34.59 20.58 16.93 36.80 118.70 95.03 -101.05 133.00 68.83 14.23 16.94 46.25 13.31 8.74 7.99 8.93 0.12 7.08 7.59 88 A C C 21.56 13.28 23.21 36.71 125.17 -171.05 -111.95 152.66 77.52 10.28 12.20 67.48 7.42 2.85 5.46 6.58 0.01 6.27 3.92 89 L H G 47.81 19.41 17.19 35.46 93.42 -115.20 -62.81 -30.06 10.94 1.72 87.34 2.68 2.01 6.22 1.80 85.54 0.00 1.67 0.07 90 D H G 99.06 4.17 22.79 27.73 91.04 64.98 -74.51 -16.34 11.70 2.13 86.16 1.94 1.97 7.69 1.28 84.92 0.00 2.13 0.08 91 E H G 49.19 14.37 19.18 33.83 97.07 59.23 -92.54 -2.53 12.96 2.92 84.11 3.54 2.56 6.50 1.03 83.23 0.00 3.07 0.06 92 V E E 9.62 24.89 13.31 38.08 120.54 90.94 -100.97 135.48 13.50 86.35 0.15 12.19 1.24 0.09 0.03 0.09 0.00 86.00 0.35 93 V E E 66.26 7.62 24.18 32.19 125.29 -169.90 -122.40 139.04 1.87 98.11 0.01 1.65 0.11 0.01 0.00 0.00 0.00 98.14 0.07 94 A E E 56.33 12.19 16.74 28.98 113.82 -113.20 -72.97 136.70 2.95 97.03 0.02 2.72 0.13 0.02 0.01 0.01 0.00 96.89 0.23 95 A C C 38.66 13.73 10.81 24.73 117.59 -142.02 -92.27 146.20 61.09 38.77 0.14 60.52 0.56 0.13 0.04 0.07 0.00 38.19 0.48 96 K C C 158.91 1.83 16.90 19.13 109.35 -109.33 -79.74 127.03 99.05 0.94 0.01 98.89 0.20 0.04 0.00 0.00 0.00 0.84 0.03