# 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 S C C 71.50 4.06 12.44 17.76 111.62 -147.63 -89.58 116.04 99.94 0.04 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.01 0.01 1 E C C 129.15 3.66 10.20 15.41 104.76 -110.27 -84.06 43.43 84.41 2.27 13.32 79.93 1.64 5.10 5.68 5.30 0.00 1.25 1.09 2 R C C 148.23 4.23 9.56 15.46 103.43 77.79 -80.50 13.19 67.61 3.41 28.98 39.04 11.94 17.06 6.25 22.41 0.01 2.03 1.25 3 N C C 109.00 3.69 11.35 16.46 101.50 54.99 -84.65 19.02 65.38 3.06 31.55 32.23 14.29 19.79 5.81 25.01 0.02 1.80 1.05 4 Q C C 108.05 5.38 12.12 18.99 108.10 89.54 -90.05 79.83 66.96 4.27 28.77 39.58 14.10 13.81 6.19 22.32 0.02 2.79 1.18 5 R C C 118.93 8.95 12.02 22.04 117.00 148.53 -93.12 134.47 80.31 10.71 8.98 56.33 17.81 6.71 3.31 5.47 0.01 8.79 1.57 6 K C C 101.93 8.06 16.26 25.26 117.18 -146.37 -96.96 136.36 67.34 29.39 3.27 55.47 8.09 2.99 1.21 1.90 0.00 28.87 1.47 7 V E E 65.04 12.03 16.58 29.02 121.21 -150.79 -109.08 134.18 41.92 57.32 0.76 36.75 3.89 0.72 0.27 0.42 0.00 56.83 1.11 8 Y E E 41.95 16.48 16.50 33.40 125.94 -169.96 -120.70 141.98 20.38 79.46 0.16 18.48 1.35 0.23 0.05 0.09 0.00 79.09 0.70 9 Q E E 90.44 8.55 22.65 31.87 123.17 -155.88 -117.13 136.49 11.76 88.18 0.07 10.41 0.81 0.11 0.02 0.03 0.00 88.27 0.35 10 G E E 9.59 18.15 17.33 35.47 142.54 146.80 -158.76 167.17 5.27 94.70 0.02 4.05 0.81 0.08 0.00 0.01 0.00 94.98 0.06 11 R E E 113.42 6.08 24.54 31.47 125.16 -94.66 -119.98 141.71 1.77 98.21 0.01 1.51 0.11 0.01 0.00 0.00 0.00 98.31 0.05 12 V E E 27.13 21.09 13.38 34.42 110.24 -115.26 -75.87 126.61 2.04 97.94 0.02 1.87 0.07 0.01 0.01 0.01 0.00 97.94 0.10 13 V E E 69.27 6.66 20.58 28.13 102.41 176.42 -100.67 -25.34 7.59 92.31 0.10 5.84 1.48 0.19 0.02 0.06 0.00 92.19 0.22 14 S E E 51.59 6.74 19.17 26.89 136.14 2.11 -149.53 151.26 24.30 75.42 0.29 16.68 6.79 0.95 0.06 0.20 0.00 74.91 0.42 15 D C C 67.72 12.79 12.13 24.96 117.17 -166.68 -124.30 118.99 59.53 39.59 0.89 46.38 9.18 2.26 0.17 0.71 0.00 40.60 0.69 16 K C S 141.57 3.22 15.14 19.27 101.04 160.97 -90.26 -2.84 70.82 26.95 2.23 21.28 35.29 15.16 0.26 2.01 0.01 24.68 1.32 17 M C S 94.22 6.06 11.74 19.35 117.66 85.60 -108.15 144.37 67.53 28.77 3.70 22.25 27.78 19.79 0.60 3.16 0.04 21.37 5.01 18 D C T 117.58 2.17 15.48 18.14 97.99 -85.28 -63.13 -14.35 98.24 0.59 1.18 4.12 33.24 60.93 0.09 1.09 0.00 0.38 0.16 19 K C T 111.01 8.84 14.84 24.13 98.89 8.73 -102.47 11.58 98.51 0.82 0.67 2.73 34.42 61.46 0.03 0.62 0.00 0.63 0.11 20 T E E 33.67 11.13 17.47 30.18 130.83 80.64 -127.34 147.01 19.46 80.46 0.08 13.87 5.24 0.55 0.02 0.07 0.00 79.31 0.95 21 I E E 12.08 19.70 16.78 37.33 122.78 -154.90 -115.97 135.50 4.35 95.65 0.00 3.94 0.13 0.01 0.00 0.00 0.00 95.87 0.06 22 T E E 26.77 10.67 24.44 36.52 119.22 -154.09 -109.77 130.72 0.55 99.45 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 23 V E E 5.63 23.19 17.53 41.38 120.19 -164.86 -115.06 130.51 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 24 V E E 34.51 9.62 24.18 35.19 117.12 -155.20 -104.94 128.11 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 25 V E E 12.24 19.84 16.24 36.65 122.93 -168.88 -118.69 133.32 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 26 E E E 74.42 8.60 20.87 30.26 118.52 -150.48 -102.60 131.56 1.47 98.53 0.00 1.28 0.05 0.00 0.00 0.00 0.00 98.65 0.01 27 T E E 27.97 13.42 15.19 29.92 130.24 175.96 -129.62 151.82 2.78 97.21 0.01 2.43 0.12 0.01 0.00 0.00 0.00 97.41 0.03 28 Y E E 107.44 8.37 16.05 25.73 119.43 -137.00 -106.91 133.33 2.34 97.65 0.01 2.00 0.15 0.02 0.00 0.00 0.00 97.78 0.05 29 K E E 85.65 7.97 15.13 24.61 127.71 -174.06 -126.14 145.41 2.55 97.43 0.02 2.14 0.19 0.03 0.00 0.01 0.00 97.57 0.05 30 K E E 122.58 4.46 13.43 19.63 114.58 -117.62 -86.63 130.60 4.10 95.85 0.04 3.68 0.32 0.04 0.03 0.02 0.00 95.12 0.79 31 H C C 50.41 10.58 7.79 19.89 110.14 -137.22 -88.17 119.72 57.80 42.09 0.11 56.28 0.97 0.20 0.03 0.06 0.00 41.53 0.93 32 T C T 114.36 0.95 11.70 12.70 93.42 -148.55 -66.37 -28.05 98.35 0.30 1.36 0.47 3.26 94.75 0.06 1.18 0.00 0.21 0.07 33 L C T 128.37 1.35 10.78 12.66 97.39 48.66 -75.35 -38.38 98.65 0.16 1.19 0.21 2.59 96.08 0.04 0.95 0.00 0.09 0.06 34 Y C T 133.40 3.10 10.07 14.60 101.38 23.71 -105.57 -10.76 98.85 0.20 0.95 0.44 2.67 95.93 0.05 0.75 0.00 0.11 0.05 35 G C C 53.13 2.34 11.22 15.00 95.92 -123.99 74.46 9.86 98.75 0.95 0.30 57.42 6.52 34.78 0.06 0.21 0.00 0.87 0.14 36 K C C 109.10 3.20 11.90 16.89 124.25 126.96 -104.59 150.74 74.35 25.62 0.04 69.76 2.59 0.21 0.01 0.03 0.00 27.05 0.36 37 R E E 139.71 6.01 11.79 19.83 117.36 -121.03 -92.49 134.69 1.24 98.75 0.00 1.12 0.05 0.00 0.00 0.00 0.00 98.72 0.10 38 V E E 47.63 9.74 12.58 24.33 125.80 -173.39 -124.26 143.16 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 39 K E E 121.53 6.31 14.69 22.94 118.78 -141.68 -101.98 134.00 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 40 Y E E 74.26 10.59 13.70 25.88 129.37 -176.86 -131.87 148.06 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 41 S E E 60.07 8.62 15.00 25.03 124.96 -153.53 -118.76 142.41 1.61 98.39 0.00 1.41 0.04 0.00 0.00 0.00 0.00 98.54 0.01 42 K E E 78.57 10.51 15.76 27.29 131.04 -173.97 -133.96 146.83 1.79 98.21 0.00 1.60 0.08 0.00 0.00 0.00 0.00 98.29 0.02 43 K E E 114.99 7.28 18.50 27.09 118.91 -134.90 -102.50 131.85 2.77 97.23 0.00 2.53 0.15 0.00 0.00 0.00 0.00 97.27 0.05 44 F E E 25.04 19.14 15.23 34.61 129.95 -173.72 -126.97 146.31 3.86 96.14 0.00 3.67 0.12 0.01 0.00 0.00 0.00 96.08 0.12 45 K E E 91.52 8.66 24.37 33.54 121.21 -144.15 -105.84 138.50 6.18 93.82 0.00 6.03 0.18 0.01 0.00 0.00 0.00 93.34 0.43 46 A E E 5.99 23.99 16.13 40.25 126.15 -170.41 -119.05 143.68 24.86 75.09 0.04 24.03 0.78 0.06 0.01 0.02 0.00 74.05 1.03 47 H E E 69.73 9.46 23.74 33.67 121.55 -150.58 -117.19 131.82 34.87 65.02 0.11 31.43 2.35 0.22 0.04 0.08 0.00 59.07 6.80 48 D C C 22.09 18.94 13.27 31.95 110.77 -167.28 -115.16 100.67 89.51 10.24 0.24 87.18 2.10 0.50 0.06 0.16 0.00 8.65 1.34 49 E C T 128.69 3.81 17.00 22.25 94.29 -167.90 -68.50 -26.87 96.74 1.05 2.21 18.57 17.61 59.96 0.16 2.67 0.00 0.69 0.33 50 N C T 108.66 2.34 17.44 19.67 96.09 42.22 -94.08 4.55 96.87 0.61 2.52 4.41 28.32 63.81 0.13 2.74 0.00 0.36 0.24 51 N C S 81.42 11.92 13.54 25.97 93.66 -120.53 62.88 32.72 96.10 2.21 1.69 31.03 57.17 7.62 0.17 1.84 0.00 1.22 0.94 52 Q C C 102.42 4.86 22.09 27.40 103.60 124.97 -98.77 16.96 93.54 6.06 0.40 87.23 4.58 1.47 0.13 0.30 0.00 2.65 3.64 53 A C C 7.44 24.66 10.72 34.66 123.58 146.05 -105.21 146.44 94.43 5.44 0.13 93.25 1.90 0.25 0.04 0.08 0.00 2.42 2.06 54 K C C 115.55 3.07 24.99 28.34 131.44 -166.79 -127.05 155.72 95.13 4.79 0.08 94.49 1.33 0.17 0.03 0.03 0.00 1.65 2.30 55 I C T 91.92 11.73 16.08 28.14 110.53 -81.95 -59.35 135.21 99.49 0.40 0.11 0.21 1.69 97.78 0.00 0.06 0.00 0.18 0.08 56 G C T 36.83 5.46 20.45 27.11 96.75 26.64 89.69 -7.40 99.90 0.06 0.03 0.29 1.73 97.91 0.00 0.02 0.00 0.04 0.00 57 D C C 27.60 14.82 17.30 33.36 118.05 133.65 -71.09 146.35 97.01 2.99 0.00 95.92 1.28 0.02 0.00 0.00 0.00 2.71 0.06 58 I E E 52.69 10.74 24.30 35.89 115.97 -129.21 -96.80 130.99 0.57 99.43 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.29 0.10 59 V E E 3.51 25.74 16.98 43.41 130.59 -174.47 -126.71 151.01 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 60 K E E 62.95 9.83 26.93 37.73 119.10 -133.40 -102.68 133.20 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 61 I E E 8.92 24.45 17.05 41.78 119.01 -155.26 -106.08 129.33 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 62 M E E 54.59 9.95 23.76 34.20 129.38 -174.90 -125.75 150.04 0.91 99.08 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.16 0.01 63 E E E 86.49 11.62 18.88 30.59 115.26 -113.58 -80.06 136.58 3.50 96.48 0.01 3.11 0.21 0.02 0.00 0.00 0.00 96.55 0.09 64 T E E 31.85 14.52 13.56 28.68 132.76 -178.04 -132.25 156.33 32.91 67.02 0.07 29.72 2.27 0.16 0.01 0.04 0.00 67.15 0.64 65 R C C 159.38 2.42 17.71 20.50 115.03 -109.36 -93.66 133.51 62.69 37.16 0.15 49.11 12.19 0.68 0.03 0.13 0.00 37.17 0.69 66 P C C 61.84 11.96 9.10 21.37 112.76 -109.24 -68.12 141.49 74.27 24.92 0.82 61.98 9.32 2.51 0.18 0.68 0.00 23.50 1.83 67 L C S 123.82 2.07 12.59 15.67 98.74 -163.25 -84.26 -29.40 88.05 11.00 0.95 27.16 51.65 9.70 0.16 0.86 0.00 8.47 1.99 68 S C S 57.42 2.45 13.61 16.68 135.28 4.10 -148.69 166.89 87.79 10.98 1.23 22.11 55.22 10.95 0.21 1.10 0.00 6.89 3.51 69 A C S 92.65 2.19 11.23 14.87 92.29 -97.37 -66.50 -22.98 96.80 0.77 2.42 4.35 59.30 33.59 0.26 1.81 0.00 0.43 0.27 70 T C S 97.12 2.48 14.22 17.19 100.71 53.91 -92.98 -8.79 94.86 3.09 2.05 6.44 57.09 31.82 0.20 1.62 0.00 2.33 0.50 71 K C C 74.29 10.97 13.66 25.59 117.91 59.77 -108.66 126.71 61.21 37.79 1.00 48.27 9.80 2.73 0.22 0.81 0.00 36.02 2.15 72 R E E 71.94 12.10 18.31 31.13 129.60 94.10 -125.16 147.76 33.04 66.76 0.21 28.99 2.84 0.39 0.09 0.11 0.00 66.71 0.88 73 F E E 18.40 20.89 16.85 37.90 126.21 -151.90 -118.95 141.88 9.48 90.34 0.18 8.44 0.55 0.06 0.13 0.04 0.00 90.63 0.14 74 R E E 85.78 9.15 25.37 35.01 123.19 -152.92 -117.25 136.38 1.09 98.69 0.22 1.00 0.05 0.01 0.25 0.02 0.00 98.64 0.04 75 L E E 18.58 21.75 14.81 36.95 109.97 -118.20 -75.22 125.59 0.57 99.29 0.15 0.56 0.01 0.00 0.17 0.01 0.00 99.22 0.02 76 V E E 62.40 7.81 21.00 29.77 101.50 176.16 -97.23 -32.60 1.40 98.19 0.41 1.06 0.16 0.03 0.27 0.05 0.00 98.41 0.02 77 E E E 91.54 4.15 23.80 28.32 137.54 -1.15 -150.71 149.41 1.06 98.54 0.40 0.84 0.09 0.02 0.23 0.05 0.00 98.75 0.01 78 V E E 50.57 17.62 13.04 30.08 111.84 -127.75 -90.76 121.02 2.25 97.04 0.71 2.17 0.08 0.03 0.64 0.08 0.00 96.93 0.06 79 V E E 66.00 7.25 17.32 25.94 102.03 177.44 -94.88 -32.35 13.65 84.66 1.68 10.88 2.21 0.44 1.28 0.38 0.00 84.53 0.29 80 E E E 100.31 4.94 18.24 24.35 136.06 -2.97 -149.79 149.44 20.82 77.07 2.11 16.47 3.60 1.11 1.33 0.75 0.00 76.21 0.53 81 E C E 109.52 9.26 13.49 23.88 119.32 -140.60 -98.64 135.63 48.44 47.74 3.82 40.12 5.12 2.22 1.92 1.63 0.00 48.27 0.73 82 A C C 47.79 10.76 10.98 22.50 116.90 -142.17 -94.61 141.83 68.35 27.55 4.10 51.95 10.74 4.11 1.66 2.19 0.00 28.36 0.98 83 V C C 96.48 4.29 11.56 17.70 118.00 -147.30 -106.68 130.44 65.10 31.38 3.52 51.75 8.84 3.35 1.47 1.86 0.00 31.32 1.42 84 I C C 112.81 4.76 9.77 16.51 114.01 -144.76 -96.00 124.25 70.28 28.22 1.51 66.73 1.33 1.45 0.80 0.55 0.00 27.01 2.13 85 I C C 102.18 6.20 11.08 18.91 112.40 -162.87 -95.19 121.06 99.50 0.50 0.01 99.55 0.05 0.01 0.00 0.00 0.00 0.38 0.01