# 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 79.55 12.75 14.45 27.28 119.24 -137.26 -90.79 140.56 99.96 0.04 0.00 99.87 0.09 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 51.12 11.97 12.08 24.93 113.65 -106.37 -66.29 148.75 89.95 1.58 8.46 88.50 0.67 2.80 4.46 2.06 0.00 0.74 0.76 2 Q C C 132.07 3.16 14.52 19.12 98.89 -130.26 -74.64 -23.60 70.43 5.61 23.97 37.43 22.02 11.88 13.13 10.19 0.04 3.19 2.10 3 E C C 111.66 6.20 15.70 22.90 110.80 17.98 -88.24 91.73 58.65 14.03 27.32 37.30 12.82 9.00 16.27 11.32 0.12 9.09 4.09 4 V C C 29.32 18.19 10.14 27.52 107.98 77.71 -95.95 100.79 60.91 9.84 29.24 49.75 6.27 4.79 19.93 9.72 0.01 7.06 2.47 5 S C C 71.80 4.73 18.49 24.06 99.71 164.91 -87.03 -18.40 71.65 3.77 24.58 46.26 17.54 7.54 19.32 5.92 0.01 2.29 1.11 6 D C C 69.07 5.87 19.57 26.06 113.68 67.05 -102.21 116.55 71.61 3.60 24.79 47.01 19.02 5.48 21.97 3.37 0.02 1.53 1.62 7 I H H 35.20 20.28 13.72 33.23 93.43 -154.09 -62.19 -36.80 5.18 0.09 94.73 2.22 1.03 2.17 93.17 1.32 0.01 0.04 0.03 8 K H H 116.75 5.68 20.00 26.61 91.37 55.63 -63.05 -40.19 2.68 0.07 97.26 0.84 0.36 1.54 95.87 1.31 0.01 0.04 0.01 9 K H H 93.85 6.09 21.69 28.14 91.63 49.80 -65.87 -39.91 1.46 0.06 98.48 0.54 0.20 0.77 97.24 1.20 0.01 0.04 0.01 10 F H H 7.26 23.25 17.15 40.51 91.48 51.17 -63.43 -43.76 0.61 0.03 99.36 0.24 0.08 0.30 98.96 0.39 0.00 0.02 0.00 11 I H H 27.89 17.24 20.77 37.73 91.17 50.29 -62.86 -42.24 0.52 0.03 99.44 0.17 0.05 0.29 99.11 0.34 0.00 0.03 0.00 12 E H H 95.88 4.13 25.02 29.01 91.50 51.06 -63.87 -41.57 0.96 0.05 98.99 0.19 0.07 0.67 98.54 0.47 0.00 0.04 0.00 13 I H H 23.32 15.37 20.52 36.39 91.99 49.80 -65.57 -40.09 3.00 0.06 96.94 0.35 0.21 2.39 96.33 0.66 0.01 0.04 0.01 14 C H H 7.60 23.08 16.74 39.65 92.24 54.55 -70.98 -25.03 21.19 0.29 78.52 2.40 1.76 16.79 77.44 1.29 0.06 0.14 0.12 15 R C T 117.45 9.35 21.41 30.68 95.56 60.21 -84.91 -7.45 58.30 2.54 39.16 10.73 7.43 38.54 37.91 2.87 0.20 1.43 0.91 16 R C C 89.51 11.55 14.82 27.10 114.79 107.00 -76.91 141.33 69.17 8.20 22.63 37.45 21.89 10.43 18.99 3.75 0.12 4.22 3.14 17 K C T 131.12 5.41 17.07 23.57 100.57 -124.77 -71.62 -19.54 66.03 5.49 28.48 21.51 13.88 31.46 19.19 8.49 0.23 3.38 1.85 18 D C T 74.84 7.68 16.45 24.93 102.57 53.57 -87.95 42.27 71.45 4.68 23.87 27.82 11.78 32.85 14.79 8.23 0.09 2.77 1.67 19 A C C 29.89 16.24 11.49 27.41 100.41 122.31 -73.47 -8.48 65.64 4.84 29.52 33.66 12.09 20.70 16.56 12.29 0.06 2.81 1.83 20 S C C 66.83 6.16 16.85 23.77 100.20 76.34 -83.43 -3.89 70.73 5.16 24.11 33.51 13.55 24.47 14.37 9.23 0.06 3.12 1.69 21 S C C 55.29 8.78 13.86 23.57 105.05 78.92 -84.16 28.34 75.25 4.94 19.81 41.43 17.32 16.81 12.96 6.85 0.03 3.30 1.30 22 K C C 123.14 5.92 15.95 22.85 99.80 99.56 -77.60 2.85 72.60 9.67 17.73 48.64 13.56 9.62 14.34 4.18 0.02 8.19 1.45 23 I C C 75.48 9.78 15.52 26.03 110.20 61.81 -92.68 103.51 59.89 19.31 20.80 47.33 7.02 4.65 17.05 4.02 0.03 18.18 1.73 24 L C C 53.61 14.22 13.29 27.52 110.88 53.77 -90.43 112.09 47.79 30.06 22.15 38.98 4.25 3.67 17.55 4.44 0.02 29.30 1.79 25 T C E 74.26 7.86 16.91 25.40 109.04 -157.48 -92.45 106.61 38.94 37.15 23.91 30.07 4.13 4.16 18.27 5.50 0.03 35.88 1.94 26 I C E 81.40 9.68 14.18 24.60 106.62 59.78 -88.51 37.23 40.72 36.72 22.56 28.28 5.99 6.31 16.93 5.79 0.07 34.32 2.31 27 A C C 58.52 8.28 14.62 23.73 104.63 59.94 -88.20 21.17 52.41 32.01 15.58 33.47 9.21 9.41 11.22 4.67 0.09 29.31 2.63 28 F C C 89.25 10.39 11.82 23.13 119.10 59.78 -106.86 128.83 76.31 18.97 4.72 48.74 21.09 6.43 3.29 1.59 0.02 16.76 2.08 29 P C C 84.86 5.24 14.82 21.22 115.11 -104.62 -80.40 138.23 92.31 6.87 0.82 58.49 26.65 7.02 0.26 0.56 0.00 6.20 0.83 30 P C C 72.60 7.72 13.47 22.42 114.38 -78.84 -75.72 146.95 92.59 5.21 2.20 45.19 27.34 20.20 0.50 1.63 0.00 4.34 0.80 31 P C C 82.35 6.46 16.41 23.78 106.83 -92.07 -72.73 126.99 87.04 8.88 4.08 48.86 19.27 19.08 1.00 3.03 0.00 7.50 1.26 32 L C C 50.57 16.07 13.44 29.13 115.53 -136.00 -88.94 133.53 72.11 21.58 6.31 51.99 11.74 8.09 1.85 4.41 0.00 19.67 2.25 33 T C C 61.37 10.29 20.52 30.93 111.04 -163.96 -98.16 98.94 55.90 36.70 7.39 35.40 15.23 6.98 2.55 4.29 0.03 33.70 1.81 34 A E E 27.39 14.22 21.02 35.26 125.19 -105.94 -118.62 146.89 36.48 54.90 8.62 24.59 9.09 5.16 3.42 4.42 0.02 51.69 1.60 35 A E E 9.93 22.16 18.15 40.12 127.79 -159.03 -122.36 145.39 22.46 70.22 7.31 17.90 3.33 1.76 3.69 2.80 0.01 69.68 0.83 36 R E E 78.45 11.98 25.67 37.78 123.48 -153.72 -116.31 135.44 10.09 85.60 4.31 8.05 1.35 0.95 2.79 1.18 0.00 84.74 0.94 37 I E E 14.82 23.53 18.06 41.65 118.05 -154.49 -106.44 129.50 12.78 83.28 3.95 9.90 2.01 1.12 2.46 1.12 0.00 82.69 0.69 38 K E E 72.30 10.47 23.82 34.44 126.36 -166.13 -121.21 139.96 18.14 78.80 3.06 14.16 2.97 1.48 1.72 1.10 0.00 77.49 1.07 39 K E E 80.18 14.49 15.88 30.13 120.30 -142.81 -103.29 136.44 36.14 61.99 1.87 29.13 5.79 1.64 0.98 0.92 0.00 58.34 3.21 40 N C C 45.47 9.84 12.82 24.67 110.05 -131.55 -92.22 117.67 80.58 18.68 0.74 71.78 6.37 1.46 0.27 0.47 0.00 18.10 1.56 41 P C T 98.89 3.85 12.39 18.24 93.69 -158.06 -64.88 -26.04 90.93 2.64 6.44 20.62 20.84 49.51 0.86 5.66 0.00 1.91 0.59 42 K C T 166.75 0.74 13.69 13.07 97.35 49.60 -79.51 -25.99 91.22 1.85 6.93 17.65 21.23 52.27 0.91 6.16 0.00 1.16 0.62 43 T C T 69.29 5.90 11.46 18.73 110.72 37.80 -107.14 107.64 91.50 2.48 6.02 28.97 27.46 35.18 0.68 5.45 0.00 1.50 0.76 44 Q C T 116.56 5.99 15.11 22.44 97.39 -128.23 -38.98 33.75 93.60 4.56 1.83 31.84 29.08 32.90 0.20 1.79 0.00 3.57 0.63 45 Q C C 64.57 9.69 17.66 28.50 123.00 122.83 -104.13 142.24 60.25 38.79 0.96 38.45 17.90 5.06 0.16 0.88 0.00 35.81 1.73 46 I E E 17.07 19.54 16.57 36.66 120.31 -148.37 -108.76 133.07 20.63 79.31 0.06 18.52 1.31 0.15 0.01 0.04 0.00 79.57 0.39 47 K E E 50.67 12.35 24.08 36.84 124.72 -164.73 -119.08 138.36 3.24 96.76 0.00 2.91 0.14 0.01 0.00 0.00 0.00 96.86 0.07 48 F E E 8.38 23.94 18.62 42.74 128.02 -169.24 -127.33 143.43 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 49 K E E 54.11 11.85 25.99 38.36 119.68 -153.32 -111.41 130.43 0.19 99.81 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 50 V E E 4.77 24.38 18.26 43.36 120.39 -166.04 -114.20 128.75 0.25 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.01 51 R E E 79.69 9.58 23.69 33.85 116.88 -157.32 -106.83 125.91 2.87 97.12 0.01 2.55 0.19 0.02 0.00 0.00 0.00 97.11 0.12 52 C C C 17.04 17.31 13.93 31.48 130.03 172.98 -127.82 171.03 73.45 26.51 0.05 70.23 1.82 0.15 0.01 0.03 0.00 27.31 0.45 53 Q C S 121.09 4.11 17.73 22.47 95.03 -86.13 -60.98 -43.10 99.59 0.29 0.12 1.73 80.90 17.04 0.01 0.10 0.00 0.18 0.04 54 R C S 151.38 4.19 16.90 21.86 101.53 9.77 -104.85 -8.52 99.39 0.49 0.12 1.45 80.51 17.52 0.00 0.10 0.00 0.35 0.06 55 F E E 72.43 10.41 17.18 28.57 135.27 27.93 -141.51 152.11 29.32 70.66 0.03 25.09 2.99 0.13 0.00 0.02 0.00 71.22 0.54 56 L E E 47.96 15.31 17.92 33.43 120.47 -140.71 -111.84 131.06 1.41 98.59 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.55 0.06 57 Y E E 30.18 17.03 20.78 38.05 129.75 -174.21 -126.69 146.01 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 58 T E E 28.01 15.91 23.10 38.97 122.05 -152.10 -112.81 133.68 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 59 L E E 8.61 22.68 21.09 43.70 120.63 -161.24 -112.56 130.72 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 60 V E E 34.20 12.35 25.33 38.44 117.93 -155.01 -107.49 126.60 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 61 L E E 10.54 21.89 14.23 36.52 118.52 -161.70 -104.57 131.51 16.49 83.50 0.01 16.54 0.26 0.01 0.00 0.00 0.00 82.73 0.45 62 K C S 133.57 4.12 20.82 25.88 97.07 -164.98 -86.03 -20.46 97.91 2.06 0.03 17.54 79.94 0.56 0.00 0.02 0.00 1.85 0.09 63 D C C 69.86 5.52 18.56 25.06 113.56 62.08 -112.49 111.59 98.93 0.57 0.51 64.12 33.79 1.12 0.34 0.13 0.00 0.21 0.29 64 S H H 52.45 12.33 12.98 25.96 93.22 -157.63 -63.60 -35.36 3.66 0.01 96.33 0.58 0.56 2.36 94.19 2.31 0.00 0.00 0.00 65 D H H 106.76 1.21 20.77 20.08 91.83 55.32 -64.13 -40.69 2.18 0.01 97.82 0.18 0.18 1.72 95.31 2.60 0.00 0.00 0.00 66 K H H 75.46 8.24 18.57 27.77 92.02 48.69 -66.41 -39.61 1.02 0.00 98.98 0.14 0.08 0.71 96.60 2.46 0.00 0.00 0.00 67 A H H 3.98 22.97 12.08 35.34 91.10 52.43 -62.71 -42.87 0.51 0.00 99.49 0.09 0.04 0.30 98.99 0.58 0.00 0.00 0.00 68 E H H 96.42 4.75 21.93 26.92 91.32 51.21 -63.45 -40.92 0.45 0.00 99.55 0.04 0.02 0.33 98.67 0.94 0.00 0.00 0.00 69 K H H 112.29 2.39 22.84 23.97 91.57 50.36 -64.19 -41.90 0.49 0.00 99.51 0.03 0.02 0.38 97.64 1.93 0.00 0.00 0.00 70 L H H 10.79 20.61 15.47 36.27 91.67 49.74 -64.40 -41.81 0.55 0.00 99.45 0.04 0.02 0.39 97.48 2.05 0.00 0.00 0.00 71 K H H 71.62 16.52 16.74 32.39 90.94 54.05 -61.98 -38.97 2.40 0.01 97.59 0.15 0.10 2.01 93.76 3.97 0.00 0.00 0.00 72 Q H H 140.55 1.19 20.79 20.54 90.85 55.10 -69.34 -23.84 32.28 0.02 67.70 0.31 0.50 33.23 62.49 3.43 0.01 0.01 0.02 73 S C T 61.42 6.69 17.64 25.27 94.59 53.98 -89.52 -7.37 62.18 0.04 37.78 0.89 1.76 59.61 34.37 3.31 0.01 0.01 0.04 74 L C S 18.85 22.91 8.48 30.02 119.07 102.91 -77.80 144.05 99.63 0.27 0.10 10.35 89.18 0.16 0.06 0.01 0.00 0.05 0.19 75 P C C 44.40 8.03 15.68 25.75 114.00 -103.21 -63.43 148.18 99.90 0.07 0.03 98.86 0.92 0.15 0.01 0.01 0.00 0.02 0.04 76 P C T 109.76 2.96 14.14 18.75 92.44 -110.17 -61.13 -25.30 99.50 0.06 0.45 0.63 3.33 95.58 0.03 0.37 0.00 0.03 0.02 77 N C T 124.09 1.79 16.41 18.31 93.74 54.92 -85.02 -0.19 99.34 0.11 0.55 0.81 3.03 95.52 0.03 0.53 0.00 0.07 0.02 78 L C C 29.53 19.83 8.50 27.14 118.19 107.08 -84.50 137.78 87.86 11.75 0.40 65.53 21.52 0.86 0.04 0.41 0.00 11.01 0.64 79 Q E E 117.77 2.67 22.50 24.84 114.28 -135.94 -90.98 128.21 25.21 74.62 0.17 24.29 0.81 0.18 0.03 0.12 0.00 74.01 0.55 80 I E E 48.86 21.03 10.79 30.42 121.87 -163.27 -112.90 132.73 6.92 93.06 0.01 6.76 0.25 0.02 0.00 0.01 0.00 92.75 0.22 81 K E E 107.64 4.79 20.76 26.34 123.33 -172.06 -121.33 137.54 2.40 97.59 0.01 2.35 0.08 0.01 0.00 0.00 0.00 97.40 0.17 82 D E E 83.94 9.77 15.97 26.72 114.87 -126.29 -87.39 128.45 7.62 92.36 0.02 7.50 0.24 0.02 0.01 0.01 0.00 91.76 0.45 83 V C C 36.47 14.86 12.11 27.67 116.90 -159.74 -106.32 130.41 75.10 24.46 0.44 70.91 2.33 0.41 0.12 0.26 0.00 25.27 0.72 84 P C C 75.85 4.51 17.50 22.74 114.77 -112.85 -68.93 149.56 87.06 9.30 3.64 70.20 12.29 4.32 1.23 2.27 0.00 8.65 1.04 85 K C C 114.78 9.28 11.87 21.91 108.08 -112.08 -77.34 126.70 81.81 4.02 14.16 56.30 17.25 8.32 6.99 7.15 0.01 2.25 1.73 86 R C C 145.08 4.58 12.93 19.01 106.26 -140.20 -82.63 60.96 72.49 2.56 24.95 41.10 18.52 13.45 13.11 11.23 0.01 1.26 1.32 87 N C C 96.57 4.67 12.22 18.26 102.69 51.96 -84.20 50.31 71.41 2.29 26.30 45.33 13.66 12.41 14.12 12.18 0.01 1.18 1.12 88 K C C 107.89 7.61 10.54 19.37 102.92 128.16 -79.39 -3.64 65.42 2.54 32.03 43.19 10.80 11.33 18.22 13.92 0.01 1.34 1.20 89 R C C 145.15 4.34 11.40 17.33 103.18 88.00 -81.27 8.06 65.86 2.51 31.64 39.80 12.57 13.61 18.18 13.32 0.01 1.27 1.23 90 K C C 136.09 3.69 10.74 16.00 103.68 66.50 -83.45 35.39 68.74 2.78 28.48 39.47 14.45 15.25 14.75 13.33 0.02 1.46 1.27 91 S C C 76.07 4.26 9.24 15.19 106.86 73.28 -87.06 91.13 75.38 3.83 20.79 44.73 15.00 16.12 10.32 10.04 0.01 2.19 1.59 92 S C C 83.62 2.88 8.86 13.53 109.38 88.87 -91.74 109.21 84.00 4.03 11.98 69.26 3.39 12.41 6.45 4.17 0.00 2.45 1.87 93 A C C 80.47 3.51 10.73 15.91 108.66 -153.68 -88.59 101.63 99.84 0.12 0.04 99.69 0.13 0.08 0.02 0.00 0.00 0.06 0.01