# 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 115.41 5.70 12.42 19.46 117.28 -153.88 -96.58 134.37 99.66 0.31 0.02 99.66 0.09 0.04 0.01 0.00 0.00 0.17 0.03 1 A C C 73.29 4.75 9.59 16.08 113.27 -145.52 -89.84 135.19 86.54 7.67 5.79 81.36 1.58 4.34 2.77 2.04 0.00 5.14 2.76 2 A C C 76.35 4.10 9.19 15.09 110.01 -143.31 -87.92 126.40 83.54 7.16 9.30 55.44 14.91 13.37 3.43 5.73 0.00 4.81 2.29 3 N C C 110.87 3.33 10.61 15.51 110.36 -143.43 -92.99 111.23 83.50 5.21 11.29 55.60 15.22 12.70 4.08 7.21 0.00 3.18 2.02 4 A C C 69.97 6.00 9.14 16.63 104.99 -164.25 -85.24 33.29 81.08 3.53 15.40 42.74 17.82 20.98 4.92 10.08 0.01 1.90 1.54 5 T C C 94.95 3.61 10.89 16.07 105.85 93.29 -89.80 41.95 85.50 2.68 11.83 39.80 20.27 26.18 3.77 7.38 0.01 1.35 1.24 6 T C C 91.83 4.16 11.14 16.94 108.14 102.92 -93.77 48.82 88.57 2.65 8.78 39.14 33.56 16.44 3.20 4.97 0.00 1.15 1.54 7 N C C 86.75 5.12 11.31 18.14 113.16 104.98 -99.43 117.01 96.81 1.60 1.59 63.46 31.66 1.76 0.78 0.70 0.00 0.60 1.02 8 P C G 86.26 6.79 11.04 19.39 96.74 -139.64 -65.98 -18.97 57.53 1.44 41.02 29.41 8.44 19.57 6.85 34.36 0.00 0.82 0.54 9 S C G 74.76 4.49 13.14 19.03 97.90 67.24 -80.16 -9.82 52.96 2.75 44.29 22.06 10.37 22.07 7.72 35.23 0.02 1.62 0.92 10 Q C G 105.34 6.10 14.08 21.43 104.94 70.31 -87.67 29.76 50.31 5.42 44.27 27.65 12.31 12.48 8.42 34.21 0.03 3.31 1.59 11 L C C 80.05 10.66 13.82 25.10 114.39 118.96 -89.71 131.28 73.09 9.10 17.82 43.43 22.39 7.59 10.75 6.82 0.06 4.35 4.62 12 L C C 54.01 14.02 13.60 27.96 115.85 -127.07 -88.13 134.87 87.55 5.31 7.14 57.33 28.23 2.02 6.90 0.95 0.00 2.58 1.98 13 P C C 58.50 7.75 17.43 26.38 108.77 -105.06 -66.17 135.07 86.75 2.68 10.57 81.52 2.61 2.13 10.48 0.92 0.00 1.30 1.04 14 L H H 79.51 11.75 13.28 25.44 94.08 -132.16 -62.22 -35.15 7.58 0.08 92.34 4.42 1.18 2.30 90.10 1.94 0.00 0.04 0.03 15 E H H 122.67 2.02 18.37 19.96 91.99 59.76 -64.10 -38.80 2.31 0.03 97.67 0.74 0.27 1.20 95.62 2.13 0.00 0.01 0.01 16 L H H 45.25 11.05 16.68 28.85 92.65 51.15 -66.18 -40.12 1.29 0.02 98.69 0.35 0.13 0.72 96.03 2.75 0.00 0.01 0.00 17 V H H 11.42 22.75 13.38 35.58 91.93 52.12 -63.80 -41.99 1.35 0.02 98.64 0.27 0.12 0.83 96.44 2.33 0.00 0.01 0.00 18 D H H 84.13 6.42 19.15 26.62 91.32 54.96 -64.10 -35.90 5.36 0.03 94.61 0.60 0.33 4.09 90.02 4.91 0.02 0.02 0.02 19 K H H 131.46 3.14 21.57 24.72 91.43 56.05 -69.49 -25.26 22.07 0.03 77.90 0.46 0.66 21.33 73.13 4.36 0.03 0.01 0.02 20 C C T 11.22 20.59 14.42 35.26 96.05 47.75 -93.88 -11.08 50.72 0.28 49.00 2.04 2.06 45.77 45.09 4.69 0.04 0.14 0.16 21 I C T 68.43 14.00 14.75 29.27 111.54 116.85 -61.40 131.18 96.08 1.75 2.18 1.02 1.79 94.34 0.86 0.51 0.00 0.74 0.74 22 G C T 48.34 3.51 21.16 25.26 93.78 19.43 84.76 -3.72 99.25 0.45 0.30 0.41 2.65 96.36 0.04 0.14 0.00 0.38 0.03 23 S C S 35.46 11.89 17.68 30.32 126.29 112.61 -93.38 160.35 97.19 2.70 0.11 46.02 50.63 0.52 0.03 0.06 0.00 2.62 0.13 24 R E E 111.53 8.59 23.32 32.26 113.94 -112.63 -82.59 131.84 9.54 90.45 0.01 9.41 0.30 0.02 0.00 0.01 0.00 89.67 0.59 25 I E E 4.66 25.16 16.10 42.01 126.93 -170.80 -121.91 144.31 1.05 98.95 0.00 1.06 0.01 0.00 0.00 0.00 0.00 98.91 0.01 26 H E E 43.93 11.47 26.46 38.84 116.25 -141.93 -102.87 128.01 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 27 I E E 3.83 25.24 19.57 45.56 119.26 -164.17 -112.94 126.43 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 28 V E E 29.42 10.64 24.29 36.43 115.20 -156.40 -107.27 122.11 0.36 99.64 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.01 29 M E E 16.35 18.66 13.94 33.05 124.10 -161.32 -96.35 163.21 22.39 77.56 0.05 21.10 0.67 0.08 0.01 0.03 0.00 77.84 0.27 30 K C T 120.24 6.67 16.39 24.15 92.75 -101.98 -63.10 -26.91 87.84 4.88 7.28 2.65 8.21 77.02 0.21 7.47 0.00 4.03 0.41 31 S C T 69.62 3.71 15.71 20.17 95.35 55.08 -87.07 3.00 92.91 0.40 6.70 1.46 7.87 82.56 0.16 7.58 0.00 0.26 0.10 32 D C S 100.45 5.32 16.17 22.71 93.57 -103.70 69.95 17.84 92.59 1.04 6.37 10.62 44.74 36.17 0.19 7.36 0.00 0.68 0.23 33 K C C 71.63 10.26 16.38 27.88 119.20 139.26 -88.23 143.93 56.28 43.65 0.08 52.68 1.35 0.36 0.01 0.05 0.00 45.14 0.41 34 E E E 61.80 14.18 20.05 34.24 125.63 -158.47 -121.92 138.47 1.29 98.71 0.00 1.10 0.05 0.00 0.00 0.00 0.00 98.83 0.02 35 I E E 9.52 21.93 20.01 41.99 124.44 -167.27 -120.23 134.95 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 36 V E E 40.16 12.79 25.79 38.80 123.06 -165.24 -116.75 133.35 0.13 99.87 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 37 G E E 5.53 16.79 22.86 40.10 145.00 115.80 -168.72 -175.46 0.48 99.52 0.00 0.37 0.03 0.00 0.00 0.00 0.00 99.60 0.00 38 T E E 42.67 10.03 26.53 37.73 121.65 -64.79 -113.15 138.33 0.52 99.48 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.01 39 L E E 7.66 24.58 16.28 41.84 109.48 -115.53 -74.15 125.47 0.69 99.31 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.33 0.01 40 L E E 64.26 8.76 23.95 33.57 100.69 174.80 -101.28 -21.90 2.15 97.84 0.01 1.48 0.42 0.06 0.00 0.01 0.00 98.01 0.02 41 G E E 16.29 8.32 25.04 34.84 146.03 -35.86 168.19 171.69 1.94 98.05 0.01 1.31 0.40 0.05 0.00 0.01 0.00 98.20 0.02 42 F E E 52.79 21.08 13.10 33.06 135.80 -135.72 -146.47 151.50 3.47 96.52 0.01 3.21 0.23 0.02 0.00 0.01 0.00 95.27 1.25 43 D C C 55.77 6.73 18.52 26.17 129.89 -148.04 -113.33 174.31 85.22 14.71 0.06 83.33 1.24 0.26 0.01 0.04 0.00 14.42 0.69 44 D C T 116.85 2.94 16.13 20.17 91.92 -88.44 -65.73 -19.69 99.43 0.17 0.40 0.51 12.66 86.25 0.01 0.42 0.00 0.11 0.04 45 F C T 116.26 5.98 17.25 23.96 97.70 46.89 -92.69 -6.03 99.46 0.09 0.45 0.68 13.13 85.61 0.01 0.48 0.00 0.05 0.03 46 V C S 33.83 17.84 15.99 32.97 102.60 -95.18 70.27 23.86 94.99 4.35 0.66 34.38 49.27 11.39 0.07 0.69 0.00 3.29 0.92 47 N C C 41.70 10.12 22.83 33.88 115.60 152.42 -83.82 135.24 84.62 15.34 0.04 81.09 2.31 0.36 0.01 0.03 0.00 15.53 0.68 48 M E E 8.12 24.47 17.79 42.53 122.65 -160.04 -114.38 133.11 1.31 98.69 0.00 1.30 0.03 0.00 0.00 0.00 0.00 98.55 0.13 49 V E E 28.17 11.43 26.64 39.11 122.24 -166.35 -118.53 133.03 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 50 L E E 8.12 24.03 17.77 42.14 118.97 -157.88 -108.86 128.38 0.17 99.83 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 51 E E E 63.98 8.53 22.88 32.02 131.30 -174.05 -127.45 153.97 1.48 98.52 0.00 1.00 0.26 0.03 0.00 0.00 0.00 98.69 0.01 52 D E E 91.78 3.81 23.39 27.62 93.36 8.47 58.06 47.04 2.42 97.58 0.00 1.41 0.61 0.04 0.00 0.00 0.00 97.93 0.01 53 V E E 11.39 22.95 12.06 34.92 117.54 173.69 -86.81 137.29 1.55 98.45 0.00 1.53 0.03 0.00 0.00 0.00 0.00 98.43 0.01 54 T E E 43.77 8.50 23.80 33.08 120.96 -158.97 -114.06 132.61 0.76 99.24 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.34 0.01 55 E E E 43.15 15.56 16.86 32.94 122.79 -164.16 -115.90 134.42 1.06 98.93 0.00 0.87 0.05 0.00 0.00 0.00 0.00 99.07 0.01 56 F E E 66.59 9.97 16.96 28.42 122.26 -166.13 -115.09 135.06 3.09 96.88 0.02 2.59 0.26 0.04 0.00 0.01 0.00 97.02 0.07 57 E E E 74.79 8.81 14.93 25.28 122.47 -166.11 -116.47 136.67 6.12 93.83 0.05 4.76 0.92 0.16 0.01 0.04 0.00 94.02 0.10 58 I E E 98.98 5.36 12.53 19.66 114.04 -132.89 -96.46 123.40 16.54 83.37 0.09 12.65 3.37 0.50 0.01 0.08 0.00 82.99 0.40 59 T C E 47.92 6.60 8.65 17.38 129.46 174.29 -123.26 165.47 51.86 47.90 0.24 44.22 5.19 1.07 0.05 0.21 0.00 48.40 0.86 60 P C T 128.50 0.63 10.24 10.60 91.10 -95.32 -61.49 -25.92 97.92 0.70 1.38 4.36 17.28 76.12 0.08 1.46 0.00 0.58 0.12 61 E C T 161.90 0.56 9.88 9.74 96.54 47.31 -90.99 -2.14 98.19 0.47 1.34 4.19 15.08 78.72 0.08 1.48 0.00 0.36 0.09 62 G C E 35.59 2.53 12.71 16.50 133.14 -83.46 129.42 -174.96 51.04 48.34 0.62 28.31 19.30 5.62 0.06 0.72 0.00 44.97 1.02 63 R E E 150.33 4.90 10.15 17.11 120.37 -42.39 -101.04 140.46 32.80 67.13 0.07 29.52 1.48 0.28 0.01 0.05 0.00 68.33 0.32 64 R E E 120.41 5.46 12.84 20.37 125.10 -166.82 -123.03 142.01 6.92 93.06 0.02 6.14 0.39 0.05 0.00 0.01 0.00 93.24 0.16 65 I E E 92.32 9.06 12.03 22.47 119.91 -148.89 -109.88 131.35 2.77 97.22 0.00 2.46 0.12 0.01 0.00 0.00 0.00 97.36 0.05 66 T E E 56.98 7.77 14.45 23.94 124.30 -172.71 -117.43 140.80 3.31 96.69 0.00 2.92 0.14 0.01 0.00 0.00 0.00 96.85 0.08 67 K E E 136.98 4.57 15.25 21.87 116.40 -133.37 -93.48 132.61 6.94 93.05 0.01 6.24 0.38 0.03 0.00 0.00 0.00 93.08 0.26 68 L E E 42.86 14.87 10.46 25.49 126.37 -170.14 -117.82 149.31 27.02 72.96 0.02 26.39 0.45 0.03 0.00 0.01 0.00 72.83 0.29 69 D E E 104.04 2.60 19.24 21.86 96.71 -136.13 -75.74 -29.12 44.59 55.39 0.02 16.37 25.69 0.38 0.00 0.02 0.00 57.45 0.10 70 Q E E 77.96 9.75 17.85 28.26 133.01 7.80 -140.64 144.67 7.54 92.45 0.01 5.92 0.91 0.04 0.00 0.01 0.00 93.07 0.05 71 I E E 30.49 18.00 16.82 35.03 123.18 -163.01 -121.96 131.58 0.50 99.50 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.48 0.01 72 L E E 61.10 11.33 23.85 35.36 115.77 -149.23 -101.51 125.46 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.70 0.01 73 L E E 12.77 22.45 17.40 39.65 127.54 -174.41 -122.04 142.85 4.71 95.29 0.00 4.51 0.11 0.00 0.00 0.00 0.00 95.28 0.10 74 N C C 57.01 7.82 24.41 32.71 112.34 -120.55 -78.82 136.64 72.62 27.35 0.04 71.31 1.04 0.04 0.00 0.03 0.00 27.29 0.28 75 G H G 15.86 20.09 14.59 34.33 91.45 -128.11 -61.04 -29.31 10.65 0.36 88.99 0.77 1.30 6.78 0.37 90.49 0.00 0.27 0.01 76 N H G 109.29 3.35 22.29 26.31 90.62 65.39 -70.71 -16.46 9.43 0.30 90.27 0.31 0.85 6.80 0.32 91.48 0.00 0.21 0.01 77 N H G 54.78 12.22 18.78 31.62 97.03 53.62 -101.28 3.08 9.89 0.60 89.51 1.05 1.34 5.97 0.38 90.74 0.00 0.49 0.02 78 I E E 15.07 23.71 12.68 36.23 112.77 98.34 -86.38 123.41 5.38 94.59 0.03 5.16 0.26 0.02 0.01 0.01 0.00 94.02 0.52 79 T E E 65.08 6.85 22.19 29.83 102.02 175.73 -100.02 -31.42 2.98 97.01 0.00 2.38 0.31 0.01 0.00 0.00 0.00 97.27 0.03 80 M E E 80.25 6.67 24.39 31.80 135.57 3.14 -148.83 146.05 0.54 99.46 0.00 0.43 0.03 0.00 0.00 0.00 0.00 99.53 0.00 81 L E E 39.92 21.70 15.28 35.93 121.56 -157.12 -120.15 127.60 0.96 99.04 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.05 0.04 82 V E E 53.99 8.66 21.62 31.21 121.08 -174.99 -124.87 127.08 13.20 86.79 0.01 12.35 0.49 0.02 0.00 0.01 0.00 86.89 0.24 83 P E E 67.52 10.66 16.43 27.59 113.98 -112.26 -67.04 145.93 44.40 55.02 0.58 29.48 11.77 4.36 0.07 0.60 0.00 53.01 0.71 84 G C C 40.29 8.30 16.50 25.40 114.20 13.12 88.63 -5.57 89.55 8.06 2.39 39.18 29.60 21.26 0.24 2.46 0.00 6.05 1.20 85 G C C 40.76 7.05 14.68 22.86 121.62 100.13 88.10 -170.11 92.18 5.12 2.70 42.68 31.30 18.28 0.30 2.86 0.00 3.11 1.45 86 E C C 139.95 3.23 15.51 19.77 104.76 -69.10 -93.57 12.78 92.75 4.66 2.59 50.43 32.68 9.66 0.45 2.31 0.00 2.32 2.14 87 G C C 30.36 9.17 12.07 22.18 128.12 -110.36 102.84 172.33 95.68 2.28 2.04 56.55 32.67 6.60 0.40 1.62 0.00 1.29 0.86 88 P C C 85.69 5.89 12.43 19.68 107.83 -51.06 -71.02 137.03 92.94 2.61 4.46 58.88 17.27 16.72 0.82 3.84 0.00 1.72 0.73 89 E C C 140.37 2.95 11.90 16.47 107.54 -118.08 -83.19 109.76 86.63 8.65 4.72 72.92 3.83 10.18 1.26 2.95 0.00 5.80 3.06 90 V C C 85.71 8.45 11.09 20.51 111.19 134.48 -92.94 116.81 99.52 0.46 0.02 99.56 0.09 0.03 0.00 0.00 0.00 0.28 0.03