# 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 55.74 15.18 20.14 34.77 125.74 -170.42 -115.80 140.89 99.16 0.84 0.00 99.31 0.05 0.01 0.00 0.00 0.00 0.60 0.02 1 A E E 18.33 17.52 18.78 36.24 123.87 -158.37 -114.76 139.42 46.45 53.00 0.55 44.47 0.76 0.43 0.31 0.16 0.00 53.06 0.80 2 L E E 45.86 13.48 22.17 35.85 120.17 -155.56 -110.36 129.49 17.45 81.71 0.84 13.99 2.46 0.74 0.47 0.34 0.00 81.39 0.61 3 F E E 17.93 21.51 19.73 40.87 128.38 -172.06 -125.01 142.93 7.67 91.58 0.75 6.18 0.99 0.37 0.43 0.28 0.00 91.37 0.38 4 S E E 28.51 12.75 25.17 38.29 123.37 -158.23 -116.32 136.55 10.08 89.11 0.81 8.10 1.41 0.47 0.40 0.35 0.00 88.88 0.39 5 C E E 7.82 22.38 16.88 39.82 113.22 -150.46 -101.39 118.03 20.06 79.12 0.83 17.39 1.81 0.53 0.53 0.41 0.00 77.82 1.51 6 F C E 85.76 10.12 21.78 32.27 98.27 -168.22 -77.14 -30.88 61.88 30.43 7.69 24.97 12.33 26.65 1.15 5.73 0.07 26.95 2.16 7 R C T 118.49 8.66 20.82 29.28 97.92 44.62 -74.71 -31.81 84.54 9.62 5.84 3.02 9.24 73.87 0.46 4.71 0.02 7.62 1.08 8 C C T 45.47 12.09 18.32 30.62 99.76 32.94 -94.68 -1.36 93.56 2.26 4.18 2.74 7.67 83.38 0.27 3.78 0.00 1.81 0.35 9 G C T 24.08 10.60 20.14 31.38 98.23 -106.42 85.59 5.89 88.43 9.44 2.13 20.63 24.62 43.09 0.31 1.97 0.00 8.66 0.71 10 Y E E 43.72 16.12 18.92 35.43 120.67 133.07 -94.07 145.31 37.50 61.75 0.75 31.25 4.67 1.16 0.42 0.35 0.00 60.62 1.55 11 M E E 36.34 16.56 22.12 38.45 123.17 -149.27 -113.92 136.22 8.35 91.15 0.50 7.06 0.95 0.26 0.33 0.20 0.00 90.70 0.51 12 Y E E 23.41 20.56 21.14 41.35 128.26 -170.05 -124.85 142.90 5.18 94.48 0.34 4.36 0.51 0.14 0.18 0.12 0.00 94.55 0.13 13 E E E 45.74 15.08 23.86 38.73 124.61 -161.50 -118.84 135.82 5.58 94.01 0.41 4.48 0.71 0.21 0.19 0.17 0.00 94.14 0.11 14 F E E 25.86 19.44 20.01 39.21 123.73 -162.60 -116.17 135.64 7.18 92.20 0.62 5.97 0.80 0.36 0.28 0.29 0.00 92.06 0.24 15 A E E 27.36 12.71 20.88 34.39 116.55 -147.51 -102.79 129.94 13.55 85.54 0.92 10.85 1.91 0.90 0.37 0.52 0.00 84.97 0.48 16 V E E 40.88 14.64 16.16 31.18 112.65 -165.69 -102.55 120.16 30.33 68.14 1.53 20.69 7.51 3.31 0.45 1.09 0.00 65.94 1.02 17 S C E 50.66 8.12 16.18 25.13 119.31 -160.85 -106.18 150.30 59.72 38.02 2.27 29.11 18.64 13.63 0.35 1.84 0.01 35.06 1.37 18 N C T 105.76 5.25 14.91 21.15 102.84 -84.92 -85.63 15.05 90.24 6.19 3.57 18.90 31.01 40.82 0.73 2.63 0.01 4.91 0.99 19 S C T 67.79 5.42 14.63 21.07 108.44 46.40 -99.46 44.15 88.09 6.95 4.97 18.46 31.00 39.24 1.58 3.04 0.02 5.55 1.12 20 Y C E 113.09 9.58 14.11 24.30 112.02 114.41 -98.05 116.96 53.27 41.21 5.52 23.08 19.67 14.05 2.58 2.95 0.17 34.36 3.14 21 C E E 54.84 10.21 15.62 26.81 116.79 -166.02 -107.46 133.92 38.33 56.44 5.23 23.20 10.79 6.32 3.26 2.18 0.06 52.16 2.01 22 R E E 89.13 13.02 16.46 29.49 118.79 -161.82 -109.13 134.55 27.28 67.18 5.54 18.17 6.42 3.51 3.62 1.92 0.01 65.29 1.06 23 K E E 98.54 9.08 20.67 30.13 122.28 -155.48 -109.26 137.30 19.63 73.86 6.52 14.55 3.18 1.83 4.55 1.76 0.00 73.33 0.81 24 L E E 37.69 19.29 15.13 33.82 116.48 -138.95 -94.33 132.48 15.99 77.26 6.76 12.77 1.86 1.13 5.00 1.59 0.00 76.77 0.89 25 T E E 49.88 10.63 19.71 30.97 119.67 -161.96 -108.69 136.64 19.11 74.09 6.80 14.27 3.22 1.84 4.67 1.91 0.01 73.14 0.94 26 L E E 71.24 12.84 16.41 29.29 117.16 -144.61 -101.53 132.16 28.37 64.75 6.88 20.48 5.54 3.18 4.14 2.53 0.01 62.94 1.19 27 R C E 105.15 10.41 16.25 27.17 115.38 -163.27 -99.05 136.56 47.17 46.28 6.54 27.30 14.14 7.76 2.98 3.20 0.03 43.18 1.40 28 N C C 94.55 7.29 17.41 25.53 109.62 -146.33 -98.94 80.41 63.20 31.87 4.93 34.44 19.36 10.00 1.74 2.97 0.01 29.95 1.53 29 D C C 57.73 12.69 15.18 28.17 116.53 144.46 -102.11 131.18 66.51 30.02 3.46 41.10 17.83 8.24 0.97 2.46 0.01 27.55 1.85 30 H C C 99.50 8.95 19.10 28.56 115.48 -149.01 -102.58 128.99 61.75 35.85 2.40 42.64 14.64 4.07 1.14 1.60 0.02 25.84 10.05 31 C C C 22.74 19.20 12.91 31.66 116.53 -154.79 -96.82 128.78 88.13 10.96 0.91 74.72 11.52 1.68 0.40 0.55 0.00 9.12 2.01 32 P C C 59.11 8.38 18.40 27.74 109.68 -118.90 -68.30 149.02 85.15 6.55 8.30 40.88 16.24 28.51 2.91 5.12 0.01 5.14 1.20 33 R C C 136.00 6.94 17.47 25.14 107.29 -101.44 -84.10 109.10 77.03 9.51 13.47 30.14 18.52 29.83 5.33 7.36 0.06 5.82 2.94 34 C C C 40.73 15.03 12.55 27.33 113.80 126.55 -100.19 127.72 71.92 8.79 19.29 42.14 16.11 13.92 9.14 10.14 0.03 5.37 3.15 35 D C C 91.29 6.01 17.82 24.54 103.21 -148.72 -85.51 10.94 69.21 7.79 22.99 33.02 20.49 16.84 12.73 9.65 0.06 5.15 2.06 36 Q C C 84.79 9.48 17.18 27.04 107.22 70.24 -89.28 91.67 61.52 11.81 26.67 35.52 13.74 12.90 16.30 10.31 0.08 8.37 2.79 37 L C C 52.17 16.38 13.93 29.62 105.91 117.60 -85.76 53.78 47.36 15.11 37.53 31.83 8.01 7.99 22.50 14.95 0.05 12.54 2.15 38 T C H 78.00 7.07 19.27 26.78 102.57 130.43 -89.58 -8.77 43.39 20.37 36.25 18.91 11.18 15.35 21.00 13.80 0.25 17.56 1.95 39 L C E 64.22 11.47 18.51 30.26 109.95 62.19 -99.20 81.98 34.98 31.77 33.25 15.22 8.78 13.95 19.26 12.39 0.50 27.54 2.36 40 F E E 38.33 19.40 15.54 34.26 117.65 114.38 -103.00 128.77 36.19 45.91 17.90 26.00 6.70 4.39 13.00 5.15 0.06 42.46 2.25 41 R E E 104.67 10.24 21.45 31.56 113.20 -168.71 -102.24 129.43 32.77 51.75 15.48 20.02 7.94 6.12 10.79 4.62 0.07 48.80 1.64 42 F E E 74.44 13.82 19.23 32.58 115.30 -15.68 -102.74 124.65 26.16 60.92 12.92 15.80 6.71 6.15 8.26 4.33 0.07 56.90 1.77 43 M E E 51.24 16.20 17.55 33.29 118.60 -171.38 -109.89 134.39 29.49 61.32 9.18 19.57 6.61 4.64 5.95 3.04 0.05 58.35 1.79 44 S E E 46.32 11.16 19.87 31.18 117.29 -158.10 -104.84 131.22 36.94 58.06 5.00 26.19 7.19 4.26 2.78 2.11 0.02 55.60 1.84 45 V C E 45.82 16.15 15.23 30.97 116.03 -165.16 -107.10 126.38 49.04 45.57 5.40 27.59 13.40 10.54 2.39 2.89 0.06 40.42 2.71 46 S C T 62.23 7.94 18.40 26.83 116.40 -164.16 -97.78 137.20 68.26 26.56 5.18 22.31 20.04 27.97 1.48 3.15 0.05 23.00 2.01 47 G C T 39.46 8.48 17.26 26.10 111.79 13.48 96.76 -2.44 76.90 17.94 5.16 24.06 24.97 29.48 1.11 3.49 0.02 15.09 1.78 48 M C C 86.32 10.99 15.06 26.49 115.74 -92.30 -93.86 133.06 64.90 30.06 5.04 35.91 17.21 13.60 1.50 3.51 0.04 24.35 3.88 49 V C E 69.85 10.77 15.19 26.63 114.45 -160.52 -103.24 122.38 56.57 38.15 5.28 25.82 16.32 18.36 1.62 3.56 0.12 28.99 5.21 50 G C E 34.49 8.20 17.09 26.03 122.23 14.57 117.21 -171.83 67.65 29.38 2.97 24.13 23.66 22.13 0.49 2.46 0.02 24.85 2.26 51 N C C 104.86 5.33 18.37 24.76 114.35 -55.35 -95.24 123.74 71.29 26.15 2.56 38.96 22.05 11.33 0.48 2.35 0.01 21.23 3.58 52 M C C 49.47 17.09 12.51 29.17 118.17 -153.13 -95.45 134.81 77.20 22.36 0.44 55.77 20.01 1.51 0.12 0.40 0.00 18.52 3.66 53 P C C 67.31 7.49 18.97 27.20 107.32 -120.41 -70.93 138.29 78.89 20.44 0.68 54.50 18.88 5.37 0.12 0.75 0.00 17.89 2.49 54 F C C 81.56 13.29 14.29 27.61 118.70 -138.69 -102.83 136.48 72.00 27.15 0.85 48.10 20.31 3.67 0.28 0.74 0.00 16.87 10.03 55 K C C 106.70 7.39 16.35 24.88 118.67 -143.40 -106.00 132.20 82.31 17.43 0.26 58.84 22.57 0.95 0.07 0.24 0.00 13.61 3.73 56 P C C 64.28 9.45 12.76 23.32 113.70 -106.88 -66.51 148.03 82.71 15.99 1.29 68.48 8.79 4.48 0.34 1.14 0.00 10.38 6.40 57 I C T 112.65 5.72 11.62 19.00 109.25 -103.00 -70.54 131.88 91.08 7.34 1.58 13.95 16.03 61.22 0.28 1.40 0.00 4.78 2.34 58 G C T 64.86 0.90 14.55 14.62 98.08 11.14 79.85 1.85 97.55 1.79 0.65 11.75 20.45 65.22 0.06 0.76 0.00 1.35 0.41 59 V C C 65.01 8.49 9.54 19.68 119.09 110.22 -103.21 132.97 94.38 5.27 0.35 53.13 40.16 1.50 0.09 0.27 0.00 2.27 2.57 60 P C C 94.58 3.67 14.85 19.73 109.69 -113.90 -69.59 141.28 94.89 4.80 0.31 64.04 27.18 3.89 0.06 0.32 0.00 2.62 1.90 61 G C C 31.88 8.25 15.14 24.27 131.01 59.50 -97.85 173.28 92.60 7.14 0.26 47.32 44.13 1.93 0.05 0.24 0.00 4.55 1.77 62 P C C 64.65 9.43 17.30 27.28 113.48 -59.63 -70.78 147.76 90.55 8.79 0.66 72.69 14.30 3.16 0.11 0.71 0.00 7.76 1.27 63 S C E 30.95 15.40 17.35 32.69 117.69 -153.95 -102.64 139.99 50.65 48.23 1.12 34.59 13.58 3.24 0.20 1.02 0.00 44.72 2.64 64 Y E E 73.53 13.75 21.62 35.13 127.54 -161.76 -123.47 145.38 22.18 76.85 0.97 17.31 4.86 1.41 0.30 0.72 0.00 73.49 1.91 65 A E E 10.42 20.74 18.96 39.51 127.91 -165.29 -124.22 144.70 13.46 85.93 0.61 11.46 1.79 0.50 0.20 0.34 0.00 85.13 0.57 66 T E E 31.37 13.72 24.28 38.36 123.62 -149.97 -115.25 137.21 9.21 90.44 0.35 7.85 1.15 0.27 0.11 0.17 0.00 90.07 0.36 67 L E E 11.63 22.50 19.91 42.33 120.79 -157.01 -108.82 133.05 8.07 91.64 0.29 6.60 1.18 0.25 0.08 0.14 0.00 91.50 0.24 68 W E E 54.62 14.07 24.10 38.26 124.48 -167.37 -118.43 138.07 7.17 92.58 0.25 5.93 0.97 0.22 0.06 0.13 0.00 92.48 0.20 69 W E E 26.39 19.65 19.44 38.99 125.13 -163.74 -117.42 141.18 9.27 90.48 0.25 7.83 1.05 0.23 0.07 0.13 0.00 90.37 0.32 70 R E E 68.31 12.71 21.19 34.18 123.36 -160.48 -116.31 136.96 15.12 84.59 0.29 12.97 1.78 0.37 0.09 0.18 0.00 83.90 0.72 71 K E E 59.66 13.29 16.32 30.18 121.16 -150.27 -105.53 139.31 28.09 71.25 0.65 23.41 3.96 0.85 0.23 0.40 0.00 70.10 1.05 72 T E E 63.04 8.11 14.88 24.32 118.69 -143.48 -103.31 136.47 37.74 61.36 0.91 31.81 4.51 1.28 0.27 0.63 0.00 59.85 1.64 73 R E E 114.64 8.20 10.20 19.56 118.03 -168.59 -114.00 130.50 34.48 62.47 3.05 14.88 11.52 12.07 0.74 2.38 0.03 53.32 5.06 74 E C T 163.95 0.94 12.24 12.87 96.76 -14.37 31.54 45.60 94.31 4.06 1.63 5.13 13.58 75.34 0.13 1.67 0.00 3.75 0.40 75 G C T 63.65 1.10 11.13 12.48 97.02 -54.11 81.26 1.31 96.73 1.90 1.38 8.08 20.70 67.75 0.10 1.43 0.00 1.70 0.25 76 K E E 116.74 3.84 11.27 17.18 122.87 115.05 -105.44 147.18 41.88 57.45 0.67 30.09 9.92 2.89 0.23 0.53 0.00 51.65 4.69 77 E E E 124.06 5.02 13.84 20.71 118.37 -132.04 -95.67 137.66 30.71 68.60 0.69 25.48 3.62 1.10 0.29 0.47 0.00 62.87 6.16 78 A C E 26.69 15.62 9.93 25.47 119.13 -143.28 -95.34 142.16 51.89 47.32 0.79 43.60 5.00 1.85 0.23 0.58 0.00 46.12 2.62 79 S C C 83.96 3.14 17.96 21.92 100.34 -153.05 -93.06 -0.39 73.36 25.74 0.90 46.15 24.27 3.46 0.25 0.70 0.00 23.23 1.94 80 A C C 40.62 8.85 14.10 24.58 121.91 92.79 -96.85 147.97 85.54 13.12 1.34 43.85 41.05 1.63 0.85 0.48 0.00 10.20 1.95 81 P C C 62.62 5.81 19.34 25.85 112.93 -98.55 -66.07 146.96 85.96 10.55 3.50 81.63 3.04 1.15 3.07 0.61 0.00 7.01 3.48 82 L H H 34.48 20.40 12.38 31.94 92.90 -117.36 -59.61 -37.04 13.74 0.62 85.64 6.00 2.38 5.80 66.98 18.22 0.04 0.41 0.17 83 D H H 90.47 5.81 17.99 24.89 91.96 60.10 -64.67 -31.19 8.93 0.77 90.30 2.75 1.32 4.93 71.49 18.68 0.06 0.64 0.13 84 A H H 57.91 3.73 18.94 22.88 93.10 53.48 -69.03 -34.31 7.21 0.67 92.11 2.03 1.09 4.11 73.04 18.99 0.05 0.61 0.09 85 V H H 27.83 16.25 14.54 30.64 96.05 48.57 -76.65 -36.86 16.23 1.76 82.00 4.27 3.78 9.71 71.79 8.34 0.43 1.02 0.66 86 C C H 29.50 16.18 12.67 28.49 102.81 49.71 -93.15 12.70 54.77 5.27 39.96 25.83 16.37 14.71 34.63 3.47 0.19 2.19 2.61 87 K C C 127.71 4.04 15.00 20.08 103.49 106.46 -80.45 -2.00 65.10 4.77 30.14 33.12 11.20 21.26 22.57 7.20 0.06 2.58 2.01 88 S C T 72.50 4.61 12.45 18.44 106.51 58.76 -86.43 60.56 69.18 3.42 27.40 24.73 16.47 28.61 16.55 10.26 0.06 1.86 1.45 89 D C C 89.57 6.54 10.31 18.25 105.20 127.54 -87.26 77.19 74.98 4.16 20.86 36.05 16.25 23.58 9.48 10.68 0.02 2.55 1.38 90 R C C 153.19 3.66 11.40 16.68 103.70 161.22 -86.31 30.23 82.97 5.07 11.96 69.44 2.79 11.80 5.85 4.80 0.00 3.28 2.04 91 W C C 130.34 9.22 11.40 21.36 107.46 85.36 -89.75 80.93 99.78 0.20 0.02 99.71 0.09 0.05 0.01 0.00 0.00 0.10 0.03