# 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 114.42 5.53 10.99 18.04 116.78 -160.45 -95.28 136.23 99.90 0.09 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 K C C 140.90 3.07 10.52 15.32 115.05 -139.03 -93.11 131.72 89.79 6.69 3.52 87.01 1.16 2.50 1.31 1.48 0.00 4.22 2.32 2 R C C 148.17 5.01 8.79 15.56 113.89 -146.28 -91.48 130.05 83.52 7.66 8.82 58.66 12.18 12.34 1.99 7.24 0.00 5.45 2.14 3 N C C 111.58 3.51 11.31 16.32 107.93 -142.79 -91.39 96.60 83.84 5.60 10.56 48.75 18.41 16.59 1.68 9.43 0.00 3.83 1.31 4 Q C C 106.87 6.22 11.12 18.83 112.29 94.02 -92.58 124.84 82.35 7.11 10.54 54.19 17.11 10.98 1.90 9.19 0.00 5.09 1.54 5 R C C 133.65 7.00 12.56 20.93 112.20 -166.89 -94.17 117.39 84.51 11.33 4.17 58.60 19.14 6.71 0.88 3.37 0.00 10.02 1.28 6 K C C 93.84 9.13 15.81 25.74 120.28 -116.08 -101.82 138.27 64.90 32.88 2.22 50.52 10.10 3.61 0.48 1.70 0.00 32.55 1.04 7 V E E 62.59 11.92 17.67 30.07 120.49 -151.50 -109.66 131.82 34.91 64.83 0.26 31.09 3.14 0.39 0.07 0.17 0.00 64.36 0.77 8 L E E 24.20 17.93 17.62 35.74 123.70 -166.66 -116.21 137.27 16.20 83.75 0.05 14.99 0.80 0.09 0.02 0.03 0.00 83.71 0.36 9 I E E 64.34 10.47 24.38 35.06 120.66 -154.12 -110.94 131.11 9.12 90.86 0.02 8.28 0.37 0.03 0.00 0.01 0.00 91.15 0.16 10 G E E 5.10 20.84 18.03 38.60 141.36 161.28 -150.14 168.86 3.78 96.22 0.01 3.02 0.41 0.03 0.00 0.00 0.00 96.50 0.04 11 I E E 68.74 7.54 25.64 34.05 122.39 -107.20 -116.73 137.36 1.06 98.94 0.00 0.92 0.05 0.00 0.00 0.00 0.00 99.01 0.02 12 V E E 20.61 21.88 13.59 35.67 109.55 -117.36 -75.68 124.62 1.11 98.88 0.01 0.99 0.03 0.00 0.00 0.00 0.00 98.93 0.03 13 K E E 99.77 5.65 20.72 27.19 101.62 175.75 -99.12 -27.43 4.82 95.14 0.03 3.51 1.06 0.10 0.01 0.02 0.00 95.20 0.10 14 S E E 53.97 4.75 21.47 26.97 138.33 -2.21 -155.34 155.66 13.83 86.10 0.08 8.42 4.72 0.47 0.01 0.06 0.00 86.10 0.22 15 T E E 59.18 14.34 11.42 25.50 117.86 -156.56 -119.85 120.28 40.18 59.61 0.21 34.85 3.53 0.56 0.04 0.17 0.00 60.31 0.55 16 K C S 135.06 3.46 15.31 19.84 102.48 -170.93 -96.58 -8.86 65.24 33.40 1.36 22.56 31.71 11.48 0.14 1.31 0.00 31.66 1.13 17 N C S 86.77 3.59 15.17 19.49 129.36 -5.71 -129.38 174.40 71.95 25.87 2.18 17.04 33.88 22.77 0.24 2.08 0.01 20.73 3.24 18 A C T 82.47 4.34 14.32 19.82 95.17 -84.67 -66.61 -18.18 98.37 0.41 1.22 3.48 36.29 58.67 0.08 1.10 0.00 0.25 0.13 19 K C T 112.66 7.69 16.03 24.30 101.37 30.82 -105.95 -3.57 98.47 0.79 0.74 2.78 37.46 58.36 0.04 0.68 0.00 0.58 0.11 20 T E E 34.12 10.49 18.28 30.42 131.74 50.61 -136.42 147.19 19.44 80.49 0.07 14.80 4.11 0.53 0.01 0.06 0.00 79.72 0.76 21 A E E 5.54 20.72 16.58 38.20 128.00 -166.97 -123.92 144.65 4.04 95.96 0.00 3.55 0.15 0.01 0.00 0.00 0.00 96.25 0.05 22 T E E 27.31 10.46 24.99 36.84 119.68 -150.17 -110.62 131.42 0.44 99.56 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 23 V E E 5.03 23.66 17.43 41.77 121.82 -166.29 -115.61 131.49 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 24 Q E E 48.31 9.48 24.74 35.11 118.66 -155.66 -104.86 130.78 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 25 V E E 11.20 20.52 15.91 36.83 124.74 -171.52 -121.21 136.62 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 26 E E E 79.61 8.02 21.38 30.01 117.76 -143.90 -100.66 132.13 1.66 98.33 0.00 1.45 0.09 0.01 0.00 0.00 0.00 98.44 0.01 27 S E E 22.38 14.04 14.99 30.06 132.40 174.04 -134.80 155.27 3.27 96.72 0.01 2.89 0.16 0.02 0.00 0.00 0.00 96.90 0.03 28 R E E 120.09 7.13 17.27 25.65 119.97 -136.35 -110.12 133.03 2.22 97.77 0.01 1.88 0.14 0.02 0.00 0.00 0.00 97.91 0.04 29 F E E 69.95 10.56 14.37 26.33 127.29 -175.79 -127.16 144.97 1.86 98.13 0.01 1.53 0.14 0.02 0.00 0.00 0.00 98.26 0.04 30 K E E 119.67 4.34 14.76 20.62 115.06 -125.86 -91.83 129.77 3.78 96.20 0.02 3.35 0.26 0.03 0.01 0.01 0.00 96.03 0.32 31 H E E 40.12 11.95 7.98 21.29 109.55 -137.37 -90.83 117.16 48.26 51.68 0.07 46.61 0.86 0.13 0.01 0.04 0.00 51.69 0.66 32 P C T 105.46 1.59 12.31 14.56 93.25 -152.36 -64.46 -28.06 96.67 0.30 3.04 0.66 3.67 92.09 0.08 3.24 0.00 0.20 0.07 33 L C T 126.45 1.43 11.26 13.23 96.54 49.62 -74.70 -38.31 96.89 0.25 2.85 0.43 3.63 92.57 0.06 3.07 0.00 0.14 0.09 34 Y C T 126.93 3.54 9.94 15.05 101.31 26.32 -103.68 -6.27 97.07 0.44 2.49 1.28 5.42 89.96 0.07 2.87 0.00 0.29 0.11 35 H C T 159.04 1.48 11.71 14.23 95.27 -127.63 58.50 33.28 98.40 1.20 0.40 31.87 7.51 59.03 0.08 0.28 0.00 1.12 0.12 36 K E E 105.55 3.55 11.58 17.15 128.34 120.65 -121.44 153.59 43.69 56.25 0.06 37.33 3.59 0.48 0.01 0.05 0.00 58.17 0.38 37 S E E 67.59 6.24 11.65 19.77 119.02 -125.30 -98.99 139.00 2.18 97.81 0.00 1.96 0.09 0.01 0.00 0.00 0.00 97.86 0.09 38 V E E 49.00 9.58 12.53 24.15 124.40 -168.78 -121.83 139.74 0.63 99.37 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.00 39 V E E 89.26 6.64 14.35 22.78 118.43 -142.05 -100.13 132.63 0.46 99.54 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 40 R E E 87.69 9.37 13.89 24.87 127.54 -175.29 -129.34 144.73 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 41 H E E 108.85 7.97 14.54 24.27 122.78 -154.59 -115.94 137.83 0.86 99.14 0.00 0.75 0.01 0.00 0.00 0.00 0.00 99.23 0.00 42 K E E 75.44 10.32 15.32 26.86 129.66 -176.63 -132.54 146.17 1.10 98.90 0.00 0.94 0.04 0.00 0.00 0.00 0.00 99.00 0.01 43 K E E 115.76 7.31 17.74 26.57 120.34 -140.83 -106.17 134.46 2.55 97.44 0.00 2.24 0.16 0.00 0.00 0.00 0.00 97.55 0.04 44 Y E E 32.94 17.59 15.46 33.46 131.46 -177.12 -131.55 149.30 5.31 94.68 0.00 4.89 0.25 0.01 0.00 0.00 0.00 94.74 0.10 45 Q E E 81.52 8.71 23.82 32.91 120.18 -136.08 -101.04 139.02 7.20 92.79 0.01 6.86 0.27 0.02 0.00 0.01 0.00 92.50 0.34 46 A E E 5.84 24.00 16.02 40.17 128.61 -170.04 -124.39 143.88 20.07 79.85 0.07 19.04 0.79 0.09 0.03 0.04 0.00 78.58 1.44 47 H E E 68.43 9.71 24.15 34.31 120.36 -153.11 -110.72 134.15 29.45 70.38 0.18 26.21 2.46 0.30 0.09 0.12 0.00 65.47 5.34 48 N C C 29.50 19.26 14.06 32.72 112.99 -157.36 -102.32 110.92 86.03 13.46 0.51 80.20 4.33 1.13 0.13 0.39 0.00 12.31 1.52 49 E C T 112.50 5.95 17.81 24.58 104.24 -156.19 -78.24 32.25 90.16 2.08 7.77 23.31 16.68 49.96 1.13 6.88 0.00 1.31 0.72 50 G C T 46.75 5.34 15.23 21.52 105.74 -9.84 -47.55 -8.29 90.02 0.81 9.17 11.83 20.62 57.04 1.19 8.41 0.00 0.45 0.45 51 E C C 133.95 4.64 15.10 20.96 99.40 -88.43 -81.87 12.76 87.78 2.09 10.13 39.94 26.47 20.97 1.84 8.64 0.00 0.97 1.17 52 V C C 57.94 11.54 13.97 26.37 119.69 113.37 -100.48 136.18 90.72 4.02 5.25 47.85 27.57 15.04 1.29 4.32 0.00 1.97 1.96 53 L C C 94.96 6.65 21.30 28.56 112.66 -132.06 -88.00 128.47 90.64 6.35 3.02 69.93 12.41 7.40 0.72 2.75 0.00 3.03 3.76 54 A C C 8.06 24.05 11.25 34.81 126.21 -164.18 -112.95 145.50 96.71 2.92 0.37 93.07 3.39 0.47 0.13 0.20 0.00 1.44 1.31 55 K C C 115.76 3.21 24.44 27.89 130.19 -160.60 -122.74 157.68 97.91 1.92 0.17 95.83 1.92 0.25 0.07 0.06 0.00 0.54 1.34 56 D C T 84.49 10.40 15.78 26.88 109.91 -79.55 -58.93 134.88 99.67 0.20 0.13 0.16 1.43 98.21 0.01 0.06 0.00 0.08 0.05 57 G C T 38.73 5.00 19.96 26.05 96.93 26.10 90.80 -7.41 99.91 0.04 0.05 0.20 1.28 98.46 0.00 0.03 0.00 0.02 0.00 58 D C C 26.34 15.10 16.03 32.47 117.94 132.56 -69.88 145.31 96.85 3.15 0.00 96.27 0.80 0.01 0.00 0.00 0.00 2.85 0.06 59 K E E 82.70 9.24 24.27 34.03 118.70 -132.47 -99.05 133.70 0.55 99.45 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.37 0.08 60 V E E 4.15 25.35 16.20 42.22 131.55 -174.49 -130.29 151.63 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 61 Q E E 56.83 9.28 26.60 36.89 118.06 -131.04 -101.97 132.55 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 62 I E E 8.37 24.52 16.67 41.60 119.39 -156.19 -108.89 128.71 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 63 V E E 42.36 9.77 23.58 34.06 130.87 -173.45 -128.33 149.71 0.72 99.28 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.33 0.01 64 E E E 89.69 11.31 18.68 30.08 114.61 -111.36 -78.36 137.78 3.82 96.17 0.01 3.56 0.17 0.01 0.00 0.00 0.00 96.16 0.10 65 T E E 32.81 14.33 12.71 27.64 130.18 -174.28 -126.88 155.93 43.55 56.40 0.05 40.41 1.95 0.12 0.01 0.03 0.00 56.77 0.71 66 R C C 164.64 1.94 17.16 19.19 114.20 -106.43 -86.57 135.94 74.71 25.12 0.16 55.72 17.17 0.99 0.03 0.16 0.00 25.17 0.77 67 P C C 69.56 10.39 9.29 20.37 112.53 -106.49 -67.84 140.21 84.80 14.47 0.73 66.92 14.46 3.06 0.17 0.62 0.00 13.18 1.59 68 L C S 122.82 2.26 11.86 15.23 98.95 -166.41 -86.51 -27.46 84.18 14.83 0.99 31.47 47.29 6.39 0.23 0.84 0.01 9.28 4.50 69 S C S 56.21 2.60 12.90 16.36 135.22 4.56 -146.16 166.09 85.31 13.56 1.13 28.78 49.80 7.27 0.23 0.95 0.00 7.93 5.03 70 A C S 94.25 1.92 11.08 14.30 91.97 -99.00 -66.46 -23.97 98.16 0.62 1.23 3.03 62.03 33.37 0.12 0.90 0.00 0.34 0.20 71 T C S 97.86 2.39 13.94 16.81 98.69 48.44 -93.86 -9.14 96.70 2.45 0.85 4.46 60.85 31.73 0.07 0.71 0.00 1.81 0.36 72 K C C 73.08 11.03 13.59 25.57 116.51 50.33 -111.56 126.52 60.08 39.51 0.40 49.90 7.59 1.57 0.09 0.36 0.00 37.52 2.97 73 R E E 68.68 12.07 18.06 30.98 129.51 153.97 -126.48 145.19 31.67 68.28 0.05 28.38 2.09 0.20 0.01 0.04 0.00 68.44 0.84 74 F E E 19.12 20.67 17.25 38.03 126.55 -151.71 -117.05 142.51 9.95 90.04 0.01 8.83 0.55 0.02 0.00 0.00 0.00 90.48 0.11 75 R E E 75.14 10.15 25.24 35.93 125.95 -158.52 -122.10 137.93 0.57 99.43 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 76 I E E 17.61 22.05 15.38 37.89 109.46 -115.65 -74.86 124.44 0.17 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 77 A E E 45.88 8.02 21.08 30.05 101.09 176.42 -93.52 -34.21 0.68 99.32 0.00 0.47 0.10 0.01 0.00 0.00 0.00 99.42 0.00 78 K E E 101.46 3.67 23.86 27.82 136.94 -4.44 -151.57 148.93 0.37 99.63 0.00 0.28 0.03 0.00 0.00 0.00 0.00 99.68 0.00 79 I E E 57.69 17.76 12.78 29.95 110.28 -126.75 -88.03 121.13 0.33 99.66 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.00 80 I E E 77.48 6.74 17.44 25.60 101.59 176.85 -94.95 -32.67 2.04 97.96 0.00 1.59 0.20 0.01 0.00 0.00 0.00 98.18 0.02 81 E E E 97.50 4.65 19.15 24.85 135.35 -0.27 -149.16 149.46 4.61 95.35 0.04 3.70 0.56 0.10 0.01 0.03 0.00 95.48 0.12 82 R E E 124.54 11.06 12.31 24.15 120.07 -147.92 -107.98 134.97 24.49 75.15 0.36 21.89 1.75 0.61 0.09 0.27 0.00 74.63 0.77 83 A C C 44.43 10.30 10.09 21.49 115.57 -124.07 -76.66 148.97 87.56 12.01 0.43 85.16 1.17 1.36 0.06 0.33 0.00 11.34 0.58 84 K C C 161.77 1.63 15.67 17.53 108.55 -111.10 -77.36 131.95 99.85 0.14 0.01 99.71 0.14 0.04 0.00 0.00 0.00 0.09 0.01