# 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 71.80 13.77 16.53 30.03 119.06 -158.44 -95.80 131.66 99.90 0.09 0.00 99.86 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 K C C 119.19 6.58 21.62 28.65 111.01 -135.70 -86.57 121.88 91.48 8.29 0.23 89.73 1.37 0.96 0.09 0.10 0.00 4.64 3.12 2 V C C 9.90 24.60 10.76 34.85 120.16 -164.58 -102.62 134.98 86.97 12.90 0.14 82.44 3.98 0.18 0.07 0.05 0.00 3.58 9.70 3 H C C 95.91 4.44 23.97 28.45 130.61 -167.75 -117.31 158.02 98.74 1.22 0.04 98.47 0.52 0.04 0.01 0.01 0.00 0.37 0.58 4 K C T 121.34 8.92 15.47 25.54 109.97 -84.02 -59.91 135.38 99.61 0.30 0.09 0.13 0.98 98.65 0.00 0.04 0.00 0.15 0.03 5 G C T 42.84 4.33 19.63 24.91 96.36 25.41 89.49 -6.89 99.91 0.06 0.03 0.14 1.00 98.79 0.00 0.01 0.00 0.04 0.00 6 D C C 33.44 14.03 16.16 31.32 118.70 132.27 -71.90 147.61 97.66 2.34 0.00 96.90 0.87 0.02 0.00 0.00 0.00 2.12 0.08 7 T E E 51.39 9.91 24.43 34.86 116.77 -125.04 -91.54 133.45 2.45 97.55 0.01 2.55 0.08 0.01 0.00 0.00 0.00 96.45 0.91 8 V E E 2.87 25.67 18.13 44.45 132.72 -174.63 -132.41 150.96 1.41 98.56 0.02 1.26 0.09 0.03 0.01 0.01 0.00 98.54 0.06 9 L E E 36.44 11.93 26.54 39.47 118.02 -134.30 -105.36 130.65 2.53 97.22 0.25 2.28 0.21 0.12 0.10 0.12 0.00 97.04 0.13 10 V E E 8.32 22.64 17.35 40.73 109.41 -123.79 -77.29 122.48 17.93 81.95 0.12 17.60 0.54 0.10 0.03 0.07 0.00 80.80 0.87 11 I C C 52.37 11.18 21.70 33.71 99.73 175.98 -99.29 -26.02 89.67 9.93 0.40 58.44 26.95 3.90 0.05 0.45 0.00 9.56 0.66 12 S C S 48.03 5.27 22.66 28.54 141.79 10.57 -153.67 159.58 96.22 3.20 0.57 9.08 79.51 7.98 0.07 0.47 0.00 1.93 0.97 13 G C S 36.67 4.32 18.80 24.34 128.17 34.92 95.63 -163.78 94.96 1.43 3.61 6.66 79.49 9.15 0.40 2.67 0.00 0.54 1.10 14 K C T 156.27 2.31 18.45 21.22 93.39 -46.17 -68.97 -22.05 90.38 0.85 8.77 1.53 17.40 71.42 0.39 8.31 0.00 0.43 0.52 15 D C T 36.29 15.97 12.58 28.81 96.07 52.05 -97.89 7.93 92.67 0.73 6.61 4.19 9.98 77.39 0.40 7.25 0.00 0.44 0.36 16 K C T 106.77 10.09 14.29 25.80 110.74 132.35 -61.04 131.66 97.39 0.70 1.91 1.24 2.22 94.27 0.21 1.36 0.00 0.29 0.40 17 G C T 49.58 3.66 20.22 24.35 94.39 21.19 85.39 -2.75 98.79 0.35 0.86 1.03 2.55 95.30 0.06 0.77 0.00 0.25 0.06 18 A C C 29.42 13.51 16.32 30.82 117.40 129.80 -74.14 146.34 97.26 2.60 0.14 92.93 3.75 0.56 0.02 0.13 0.00 2.39 0.21 19 K E E 109.75 8.52 22.09 31.74 125.98 -150.61 -116.42 143.41 10.92 89.04 0.04 10.23 0.76 0.06 0.02 0.02 0.00 85.27 3.64 20 G E E 8.35 16.32 20.59 37.20 144.23 147.16 -162.01 -174.83 3.87 96.12 0.00 3.04 0.61 0.03 0.00 0.00 0.00 96.25 0.06 21 K E E 87.20 7.74 26.27 35.03 121.16 -82.63 -101.74 139.59 0.99 99.01 0.00 0.84 0.05 0.00 0.00 0.00 0.00 99.09 0.02 22 V E E 5.90 24.82 14.93 40.84 109.08 -113.66 -74.57 125.10 0.80 99.20 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.21 0.01 23 L E E 64.14 8.41 23.45 32.71 101.08 175.66 -97.54 -32.53 1.84 98.16 0.00 1.10 0.46 0.01 0.00 0.00 0.00 98.42 0.01 24 V E E 61.70 6.86 25.73 33.58 138.90 1.53 -152.83 148.20 0.41 99.58 0.00 0.28 0.04 0.00 0.00 0.00 0.00 99.67 0.00 25 A E E 19.85 22.19 14.29 35.67 125.93 -165.45 -129.41 132.35 0.83 99.16 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.24 0.02 26 Y E E 63.77 7.72 19.47 29.09 110.72 -163.82 -115.45 105.82 7.87 92.11 0.02 7.31 0.40 0.03 0.01 0.01 0.00 91.73 0.51 27 P C T 67.21 11.14 13.41 25.70 93.76 -175.11 -64.91 -31.57 63.14 0.72 36.14 1.46 2.75 55.99 0.42 38.77 0.00 0.53 0.08 28 D C T 124.89 0.74 16.35 15.46 92.91 53.57 -69.16 -33.75 67.01 0.25 32.74 0.77 2.30 61.39 0.45 34.89 0.00 0.14 0.06 29 R C T 131.82 3.67 15.98 20.23 97.46 32.37 -97.06 -4.02 68.56 0.13 31.30 0.94 2.81 60.85 0.34 34.95 0.00 0.07 0.04 30 N C T 64.79 12.46 15.25 28.57 94.53 -127.57 56.87 43.40 99.69 0.10 0.21 3.01 2.89 93.87 0.02 0.14 0.00 0.07 0.01 31 K E E 53.16 11.60 22.05 34.42 137.10 125.41 -135.33 157.21 4.86 95.14 0.00 4.04 0.36 0.03 0.00 0.00 0.00 95.43 0.14 32 V E E 3.86 24.90 18.20 44.02 122.37 -147.04 -117.48 133.68 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 33 L E E 36.74 11.40 26.66 39.11 117.41 -152.90 -105.25 127.43 0.12 99.88 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 34 V E E 5.64 24.60 17.11 42.24 117.38 -166.26 -111.47 123.32 0.76 99.24 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.31 0.02 35 E E E 92.10 7.35 23.51 31.11 116.95 -145.13 -82.64 140.05 21.27 78.23 0.50 7.67 5.74 8.45 0.03 0.48 0.00 77.41 0.24 36 G C S 31.69 7.96 21.70 30.43 97.86 18.90 75.88 9.68 77.85 21.33 0.83 18.09 36.94 21.37 0.04 0.86 0.00 22.23 0.46 37 V C C 23.42 20.93 14.99 34.96 100.95 135.41 -79.81 -20.35 71.21 24.48 4.32 31.58 19.60 20.70 0.31 4.40 0.00 22.11 1.30 38 N C E 70.01 11.33 19.62 30.80 100.78 59.30 -92.57 16.76 62.34 34.34 3.33 22.24 20.15 20.94 0.22 3.36 0.00 32.05 1.05 39 R E E 105.27 9.59 18.60 28.85 117.45 120.95 -99.18 132.13 38.40 60.29 1.31 30.81 6.33 1.52 0.25 1.05 0.00 58.69 1.35 40 I E E 63.43 14.46 14.07 28.56 122.92 -169.73 -116.76 135.53 12.87 86.96 0.17 11.90 0.97 0.16 0.09 0.09 0.00 85.05 1.74 41 K E E 107.82 7.39 16.30 24.99 119.30 -151.86 -105.48 133.48 12.17 87.61 0.22 10.82 1.01 0.24 0.09 0.12 0.00 87.07 0.66 42 K E E 109.49 8.24 14.56 24.14 120.50 -155.55 -107.79 136.50 19.70 79.51 0.80 16.22 2.90 0.87 0.32 0.46 0.00 78.36 0.87 43 H E E 90.62 9.87 12.39 23.31 118.48 -148.13 -101.85 133.55 35.60 63.00 1.40 30.01 4.37 1.19 0.65 0.77 0.00 61.18 1.83 44 T C C 75.26 6.18 13.75 21.47 119.19 -157.90 -106.31 138.46 57.60 39.61 2.79 47.49 7.21 1.91 1.35 1.37 0.00 38.75 1.91 45 A C C 63.34 6.56 12.70 20.68 114.48 -117.30 -79.61 141.47 63.44 31.49 5.07 53.29 6.87 2.29 2.93 2.11 0.01 29.95 2.55 46 V C C 80.78 7.32 11.21 19.99 113.22 -136.21 -90.40 132.58 65.96 23.19 10.85 50.00 10.50 4.78 7.35 4.09 0.04 19.76 3.47 47 S C C 61.83 4.62 11.44 17.65 116.69 -128.53 -93.41 142.92 73.24 15.26 11.50 55.66 10.76 5.99 7.80 4.25 0.02 11.54 3.98 48 A C C 75.44 4.17 9.73 15.60 100.41 -137.75 -76.11 -22.68 65.08 6.87 28.04 33.00 17.37 15.82 17.53 9.62 0.12 4.37 2.17 49 N C C 120.30 1.76 10.99 13.58 100.48 58.49 -82.83 -7.82 67.03 3.17 29.81 27.91 18.79 21.71 16.62 11.77 0.09 1.69 1.43 50 E C C 121.90 3.87 9.28 14.73 104.40 74.44 -85.78 29.38 63.72 2.98 33.30 23.38 18.75 23.07 17.00 14.63 0.11 1.45 1.60 51 R C T 163.35 2.66 10.54 14.63 104.25 53.12 -81.83 42.12 70.55 2.54 26.91 15.66 16.63 38.81 12.88 13.10 0.14 1.24 1.54 52 G C T 52.17 3.02 11.77 16.07 104.15 -30.98 77.06 -7.10 81.48 3.03 15.50 22.43 20.46 39.66 4.58 9.88 0.02 1.61 1.37 53 A C C 65.29 5.72 10.21 17.51 104.99 89.07 -83.04 55.21 74.44 8.68 16.88 39.12 19.37 17.28 4.49 11.59 0.03 5.28 2.84 54 S C C 75.45 4.22 12.16 17.93 108.27 103.77 -88.15 87.52 73.20 13.22 13.58 43.15 17.01 14.06 3.60 9.60 0.03 8.96 3.59 55 S C C 75.79 4.44 13.26 19.24 111.61 63.27 -96.69 108.59 76.22 16.85 6.92 42.16 18.76 16.46 1.65 5.20 0.02 11.88 3.86 56 G C C 36.84 8.51 12.51 22.03 119.32 -112.15 112.29 173.67 80.98 17.27 1.76 45.55 20.79 14.70 0.27 1.61 0.00 15.55 1.53 57 G C C 34.73 6.31 15.77 23.12 124.68 -138.13 118.37 168.52 60.39 39.09 0.51 40.13 16.76 3.26 0.08 0.48 0.00 38.33 0.96 58 I E E 90.69 10.46 13.47 24.66 120.28 -86.30 -106.50 134.54 14.27 85.68 0.05 12.60 1.35 0.11 0.01 0.03 0.00 85.07 0.83 59 V E E 61.54 8.66 15.75 25.91 122.47 -165.35 -117.92 137.18 2.71 97.28 0.01 2.52 0.10 0.01 0.00 0.00 0.00 97.20 0.16 60 T E E 77.23 10.22 14.65 25.78 120.27 -152.99 -108.49 132.42 4.09 95.90 0.01 3.47 0.31 0.02 0.00 0.00 0.00 96.11 0.08 61 Q E E 78.15 7.64 17.74 26.68 131.52 171.36 -135.46 149.77 6.58 93.37 0.05 5.73 0.70 0.07 0.01 0.02 0.00 93.15 0.30 62 E E E 103.98 9.84 17.54 27.98 115.19 -114.68 -80.36 135.95 19.84 80.11 0.05 18.41 1.28 0.10 0.01 0.03 0.00 79.09 1.09 63 A E E 21.37 15.91 16.92 33.18 129.44 -156.62 -130.06 149.02 49.29 50.69 0.01 45.80 2.09 0.05 0.00 0.01 0.00 51.64 0.40 64 P E E 62.66 9.68 22.93 32.68 114.18 -104.38 -70.23 143.68 41.17 58.81 0.01 36.02 3.72 0.10 0.00 0.01 0.00 59.43 0.72 65 I E E 12.83 23.18 16.08 39.35 127.20 -164.82 -126.42 144.03 11.57 88.42 0.01 10.88 0.55 0.02 0.00 0.00 0.00 80.14 8.40 66 H E E 66.00 8.92 25.11 34.66 112.75 -118.90 -79.07 130.81 25.75 74.24 0.01 27.63 0.23 0.01 0.00 0.01 0.00 68.37 3.75 67 V H G 20.39 22.76 15.94 38.50 91.77 -131.97 -60.91 -31.56 6.11 0.18 93.70 0.76 0.62 3.78 5.88 88.79 0.00 0.17 0.00 68 S H G 62.01 8.23 22.24 31.35 90.14 66.34 -70.51 -15.13 5.16 0.09 94.75 0.24 0.36 3.89 4.99 90.44 0.00 0.07 0.00 69 N H G 60.46 11.39 21.67 33.89 96.94 53.44 -99.71 4.43 6.40 0.11 93.49 0.66 0.67 4.05 3.39 91.14 0.00 0.08 0.01 70 V C C 6.52 25.36 15.96 41.94 119.48 98.11 -94.11 136.06 58.92 36.43 4.65 44.98 11.75 2.44 1.85 2.64 0.00 33.17 3.16 71 M E E 50.19 12.49 26.14 38.79 124.98 -164.81 -113.67 142.99 36.99 62.83 0.18 34.47 1.83 0.28 0.07 0.11 0.00 60.75 2.49 72 V E E 14.42 21.77 19.50 41.35 117.51 -138.44 -99.94 129.45 16.41 83.54 0.05 15.35 1.24 0.07 0.02 0.03 0.00 82.70 0.60 73 V E E 34.48 11.97 19.62 32.87 124.40 -167.98 -117.03 140.37 2.49 97.49 0.02 2.55 0.10 0.00 0.04 0.00 0.00 75.03 22.28 74 D C C 36.65 11.19 13.93 26.52 122.93 -129.56 -81.10 171.42 93.09 6.89 0.03 93.44 0.36 0.05 0.00 0.01 0.00 5.63 0.51 75 S C T 86.41 4.13 12.81 18.88 90.52 -93.92 -63.12 -20.74 99.35 0.33 0.32 4.23 5.16 89.92 0.02 0.34 0.00 0.28 0.05 76 D C T 116.50 0.96 14.12 14.09 92.36 56.13 -87.19 -1.11 99.58 0.09 0.33 2.00 5.38 92.14 0.01 0.39 0.00 0.06 0.02 77 G C S 41.54 6.96 11.71 20.26 95.84 -107.15 83.67 6.69 99.29 0.38 0.32 21.28 76.87 1.24 0.03 0.26 0.00 0.16 0.17 78 K C C 118.31 2.81 17.47 21.13 117.34 136.03 -85.22 140.25 98.57 1.42 0.01 91.98 6.73 0.09 0.00 0.01 0.00 0.89 0.29 79 P E E 64.04 11.96 15.07 27.50 114.73 -106.18 -66.74 143.98 10.83 89.12 0.06 10.00 0.40 0.03 0.06 0.02 0.00 48.15 41.33 80 T E E 24.18 16.68 16.05 33.01 130.06 -169.72 -122.92 153.25 41.51 58.44 0.04 40.04 1.22 0.08 0.01 0.03 0.00 58.11 0.50 81 R E E 102.58 9.64 22.83 32.72 117.63 -120.74 -94.44 135.19 20.80 79.15 0.05 18.62 1.64 0.10 0.01 0.04 0.00 77.46 2.13 82 V E E 19.98 21.20 16.18 37.08 120.05 -152.35 -105.43 133.82 15.57 84.39 0.04 14.05 1.18 0.13 0.01 0.02 0.00 84.24 0.36 83 G E E 13.23 11.43 21.75 34.10 136.73 167.46 -139.08 172.08 6.40 93.58 0.02 5.37 0.64 0.07 0.00 0.01 0.00 93.72 0.19 84 Y E E 82.78 15.03 16.52 31.40 130.76 -131.52 -130.91 146.33 3.94 96.05 0.01 3.41 0.33 0.02 0.00 0.01 0.00 96.04 0.19 85 R E E 104.50 7.79 18.02 26.97 128.01 -172.18 -126.63 142.82 3.84 96.14 0.02 3.27 0.41 0.05 0.00 0.01 0.00 96.09 0.16 86 I E E 82.97 8.44 12.71 22.73 117.59 -131.90 -99.36 131.17 9.21 90.71 0.08 8.24 0.84 0.12 0.04 0.05 0.00 88.94 1.78 87 D C C 52.26 7.25 9.64 19.24 110.35 -135.98 -87.42 118.63 70.74 29.08 0.18 66.96 1.94 0.50 0.04 0.11 0.00 29.40 1.05 88 D C T 123.10 1.39 10.49 13.08 93.23 -151.98 -67.82 -25.97 97.69 0.74 1.57 8.82 10.49 78.23 0.16 1.56 0.00 0.56 0.17 89 E C T 159.35 0.56 11.06 10.66 96.59 48.16 -74.37 -38.14 98.34 0.29 1.37 3.30 7.84 87.11 0.10 1.36 0.00 0.19 0.10 90 T C T 88.84 2.05 10.81 13.60 100.34 22.11 -102.49 -12.76 98.90 0.23 0.87 4.19 7.39 87.25 0.08 0.87 0.00 0.15 0.07 91 G C C 45.88 4.23 10.42 16.69 96.23 -123.47 76.15 7.96 98.67 0.96 0.36 62.38 11.73 24.55 0.05 0.35 0.00 0.75 0.20 92 K C C 109.18 3.40 13.87 18.81 118.57 140.86 -82.77 144.66 78.68 21.27 0.05 74.39 3.22 0.22 0.01 0.04 0.00 21.55 0.57 93 K E E 106.05 8.67 13.85 23.78 116.94 -123.87 -86.79 134.13 2.68 97.32 0.00 2.58 0.12 0.01 0.00 0.00 0.00 96.41 0.88 94 V E E 31.65 13.08 15.70 30.23 129.11 -174.19 -127.67 147.74 1.98 98.02 0.00 1.79 0.06 0.00 0.00 0.00 0.00 98.12 0.02 95 R E E 82.63 12.01 19.61 32.10 118.33 -133.70 -100.87 131.22 1.71 98.29 0.00 1.50 0.05 0.00 0.00 0.00 0.00 98.41 0.02 96 I E E 25.00 14.14 18.42 33.92 127.52 -172.34 -123.77 144.62 0.87 99.13 0.00 0.83 0.04 0.00 0.00 0.00 0.00 98.27 0.85 97 A E E 12.82 14.02 15.38 31.52 110.57 -112.77 -71.05 131.91 12.13 87.85 0.02 12.00 0.28 0.03 0.01 0.01 0.00 86.18 1.48 98 K C T 96.66 10.13 16.19 27.32 93.59 -142.41 -66.25 -29.83 99.08 0.54 0.37 0.62 3.51 95.09 0.01 0.32 0.00 0.39 0.07 99 T C T 91.46 3.66 16.65 21.22 97.29 48.10 -77.21 -38.36 99.30 0.28 0.41 0.20 2.03 97.24 0.01 0.31 0.00 0.15 0.07 100 N C T 89.34 3.61 15.15 19.60 100.96 22.13 -106.56 -12.38 99.54 0.13 0.33 0.51 2.53 96.55 0.01 0.29 0.00 0.07 0.03 101 G C C 39.31 8.36 12.24 22.03 94.84 -120.83 78.65 7.95 99.25 0.50 0.25 71.52 7.23 20.52 0.05 0.19 0.00 0.34 0.15 102 K C C 110.77 3.54 15.78 20.88 118.21 144.42 -78.31 143.75 85.68 14.25 0.08 77.40 8.08 0.44 0.02 0.06 0.00 12.63 1.37 103 D E B 93.17 6.14 15.96 23.64 111.61 -107.93 -71.79 132.26 5.00 94.95 0.05 4.22 0.28 0.01 0.07 0.01 0.00 41.53 53.87 104 I C C 38.05 18.45 13.49 31.15 104.65 -163.14 -94.75 23.37 97.86 2.14 0.00 97.96 0.09 0.02 0.00 0.00 0.00 1.89 0.03