# 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 118.63 5.19 11.35 18.30 117.56 -157.81 -103.05 134.41 99.88 0.11 0.01 99.86 0.05 0.02 0.00 0.00 0.00 0.05 0.01 1 S C C 78.14 3.55 10.10 15.58 116.95 -149.33 -97.95 136.81 90.94 5.47 3.59 88.35 0.90 2.82 1.48 1.18 0.00 3.78 1.49 2 L C C 114.28 4.57 8.57 15.08 113.35 -150.11 -93.80 126.63 85.73 7.96 6.31 64.82 12.75 7.98 1.97 4.34 0.00 6.24 1.90 3 R C C 152.55 3.62 10.94 16.40 115.45 -157.36 -97.47 132.49 84.12 9.26 6.62 61.39 14.17 8.51 1.91 4.68 0.00 7.30 2.04 4 K C C 143.88 3.73 11.90 17.54 113.27 -135.25 -91.63 128.90 85.09 8.99 5.92 61.17 15.17 8.68 2.15 3.75 0.00 6.43 2.64 5 Q C C 82.36 9.34 11.56 22.01 120.86 -166.00 -105.91 144.65 93.01 4.73 2.26 68.99 21.10 2.80 1.36 0.94 0.00 2.29 2.52 6 T C C 65.15 4.75 18.21 23.50 119.44 -119.94 -84.93 154.62 98.76 0.35 0.89 90.05 8.24 0.41 0.90 0.10 0.00 0.12 0.18 7 P H H 40.39 16.55 13.37 29.94 91.83 -112.20 -58.24 -38.12 14.25 0.10 85.65 4.65 1.89 7.75 82.92 2.69 0.01 0.04 0.05 8 S H H 44.07 10.50 17.17 28.33 92.11 54.96 -63.72 -38.73 8.71 0.05 91.23 2.05 0.99 5.48 88.23 3.17 0.01 0.02 0.03 9 D H H 74.03 3.27 20.58 23.55 92.06 51.00 -65.64 -39.33 3.49 0.05 96.47 1.47 0.48 1.63 92.70 3.66 0.00 0.03 0.01 10 F H H 37.05 14.56 17.07 32.25 92.01 51.60 -64.73 -42.68 1.73 0.02 98.26 0.54 0.17 0.92 95.78 2.58 0.00 0.01 0.00 11 L H H 17.27 22.19 15.25 37.00 91.93 51.11 -64.13 -39.95 1.50 0.01 98.49 0.28 0.10 0.94 95.89 2.77 0.00 0.01 0.00 12 K H H 125.27 4.82 19.96 25.97 90.98 54.21 -63.86 -35.87 3.54 0.01 96.45 0.26 0.17 2.84 91.63 5.08 0.01 0.00 0.00 13 Q H H 106.50 4.40 21.21 25.92 91.88 54.12 -70.32 -26.14 17.04 0.01 82.95 0.33 0.42 16.79 78.67 3.77 0.01 0.00 0.01 14 I H H 14.10 20.73 14.43 35.35 96.86 44.48 -96.31 -11.70 48.82 0.14 51.04 1.48 1.62 44.65 48.89 3.17 0.05 0.06 0.09 15 I C T 67.63 14.19 14.30 28.97 111.74 118.43 -62.15 130.86 97.38 0.90 1.72 0.75 1.30 95.98 0.73 0.36 0.00 0.29 0.59 16 G C T 49.53 3.53 20.61 24.81 94.37 19.45 84.20 -3.31 99.72 0.11 0.17 0.22 1.78 97.83 0.03 0.07 0.00 0.07 0.01 17 R C S 101.64 8.31 19.12 28.49 125.31 110.71 -103.91 147.19 99.02 0.96 0.02 29.63 69.36 0.18 0.00 0.01 0.00 0.74 0.08 18 P E E 64.67 8.98 21.79 31.02 113.59 -103.65 -67.26 141.93 30.48 69.52 0.01 31.31 0.33 0.01 0.00 0.00 0.00 67.11 1.23 19 V E E 6.24 24.03 15.51 39.92 131.59 -171.47 -131.28 148.78 2.08 97.92 0.00 2.04 0.03 0.00 0.00 0.00 0.00 97.88 0.05 20 V E E 37.45 10.39 25.96 37.55 117.37 -139.93 -107.40 127.56 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 21 V E E 4.56 24.81 18.15 43.59 119.86 -165.89 -111.88 131.35 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 22 K E E 80.37 8.12 24.23 32.88 113.77 -151.73 -102.53 121.68 0.64 99.36 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.34 0.03 23 L C C 15.80 20.00 12.13 32.08 123.58 -152.71 -88.72 165.34 52.18 47.73 0.09 51.78 0.61 0.09 0.01 0.05 0.00 46.56 0.89 24 N C T 108.11 5.09 15.62 22.17 91.99 -99.83 -63.44 -22.68 95.98 0.93 3.08 0.79 4.03 91.13 0.07 3.18 0.00 0.67 0.13 25 S C T 70.59 3.88 14.90 19.99 92.80 59.32 -85.66 0.05 96.51 0.13 3.36 0.37 3.01 92.88 0.05 3.59 0.00 0.07 0.03 26 G C S 47.04 3.43 16.45 20.75 97.20 -100.94 88.14 5.54 96.92 0.84 2.24 13.10 79.35 4.71 0.12 1.96 0.00 0.51 0.24 27 V C C 38.55 12.67 13.59 27.76 117.02 137.62 -82.77 138.46 89.53 10.46 0.02 89.43 0.69 0.04 0.00 0.01 0.00 9.47 0.36 28 D E E 62.62 10.07 21.29 31.88 121.76 -156.05 -112.47 134.14 1.11 98.89 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.87 0.07 29 Y E E 15.49 22.45 17.62 40.04 127.57 -172.54 -125.38 141.08 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 30 R E E 92.08 10.79 26.11 36.94 124.31 -162.79 -118.63 135.68 0.25 99.75 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.80 0.00 31 G E E 4.51 18.33 22.58 41.04 145.22 123.08 -165.39 -176.28 0.82 99.18 0.00 0.63 0.04 0.00 0.00 0.00 0.00 99.32 0.00 32 V E E 40.54 11.10 26.65 38.99 123.80 -73.87 -116.94 137.69 0.46 99.54 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 33 L E E 7.20 24.68 17.02 42.65 109.54 -115.03 -73.39 126.11 0.63 99.36 0.01 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 34 A E E 38.85 9.41 24.08 34.36 100.79 174.70 -98.63 -31.92 2.22 97.74 0.04 1.51 0.47 0.07 0.01 0.03 0.00 97.90 0.03 35 C E E 43.42 7.96 25.37 34.35 141.73 -0.83 -157.74 152.71 3.03 96.91 0.06 2.16 0.66 0.10 0.01 0.05 0.00 96.97 0.04 36 L E E 41.35 21.55 12.47 32.66 128.53 -167.86 -136.34 137.51 6.28 93.60 0.13 5.50 0.79 0.14 0.04 0.07 0.00 92.49 0.97 37 D C C 71.66 5.35 19.41 25.24 121.83 -161.39 -113.11 168.09 62.38 37.10 0.52 52.42 5.82 2.24 0.12 0.42 0.00 37.52 1.45 38 G C T 53.40 4.08 15.86 21.17 95.16 -90.46 -33.49 -16.63 96.67 0.66 2.67 2.25 15.20 79.09 0.11 2.73 0.00 0.44 0.18 39 Y C T 139.38 4.41 17.29 22.35 97.52 49.71 -95.68 3.38 97.21 0.30 2.49 2.56 14.11 80.37 0.13 2.52 0.00 0.18 0.12 40 M C T 53.21 15.78 15.41 30.91 96.45 -105.20 68.32 28.93 89.94 7.19 2.88 27.85 28.73 33.71 0.28 2.78 0.00 5.58 1.07 41 N C C 46.21 9.64 22.41 32.96 115.97 150.10 -86.27 137.93 66.83 33.06 0.11 56.60 5.44 1.88 0.02 0.09 0.00 35.20 0.78 42 I E E 7.11 24.61 17.85 42.76 121.90 -156.05 -114.45 132.76 1.80 98.20 0.00 1.74 0.05 0.00 0.00 0.00 0.00 98.14 0.08 43 A E E 18.41 11.85 26.63 39.51 125.10 -167.48 -117.91 138.11 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 44 L E E 8.88 23.86 17.66 41.77 120.52 -157.82 -111.25 130.53 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 45 E E E 69.75 8.49 23.00 31.79 129.92 -170.63 -123.59 153.67 1.51 98.49 0.00 0.84 0.44 0.02 0.00 0.00 0.00 98.70 0.00 46 Q E E 105.56 4.61 23.42 28.30 95.22 5.31 57.47 48.24 1.03 98.97 0.00 0.71 0.13 0.01 0.00 0.00 0.00 99.15 0.00 47 T E E 13.02 22.20 12.97 34.81 119.16 164.70 -91.60 142.22 0.63 99.37 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.40 0.00 48 E E E 59.91 8.50 23.04 32.37 125.50 -164.48 -123.61 139.68 0.27 99.73 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 49 E E E 38.99 15.52 15.66 31.95 120.55 -154.52 -111.45 133.00 0.38 99.62 0.00 0.30 0.02 0.00 0.00 0.00 0.00 99.68 0.00 50 Y E E 79.24 8.57 15.77 26.17 121.10 -164.48 -115.93 132.60 1.19 98.81 0.00 1.01 0.07 0.00 0.00 0.00 0.00 98.91 0.01 51 V E E 58.78 9.19 10.74 21.58 118.94 -176.01 -129.58 118.69 5.12 94.83 0.05 3.15 1.22 0.39 0.01 0.04 0.00 94.98 0.21 52 N C T 137.72 1.11 12.74 13.73 92.02 -16.04 53.47 42.40 99.58 0.26 0.16 0.78 4.55 94.29 0.01 0.15 0.00 0.20 0.02 53 G C T 61.04 1.72 11.51 14.12 95.15 -50.50 80.61 2.04 99.79 0.08 0.13 0.85 5.06 93.90 0.00 0.12 0.00 0.06 0.01 54 Q E E 122.47 1.57 13.40 15.72 123.42 105.46 -113.22 140.06 6.94 93.04 0.03 3.79 3.03 0.27 0.00 0.02 0.00 92.34 0.54 55 L E E 85.55 9.88 9.25 20.22 110.63 -112.50 -72.06 128.25 3.27 96.73 0.00 2.84 0.17 0.01 0.00 0.00 0.00 96.90 0.08 56 K E E 118.01 4.16 14.53 20.19 102.96 178.52 -99.91 -28.73 9.08 90.91 0.01 7.25 0.87 0.06 0.00 0.01 0.00 91.76 0.05 57 N E E 79.42 5.03 16.30 22.71 133.91 -4.04 -152.80 147.31 5.09 94.89 0.02 3.67 0.81 0.12 0.00 0.01 0.00 95.34 0.04 58 K E E 120.64 9.00 13.55 24.02 120.80 -153.95 -115.32 131.98 5.39 94.60 0.02 4.62 0.43 0.05 0.00 0.01 0.00 94.78 0.10 59 Y E E 93.12 10.70 14.59 25.95 116.63 -170.13 -115.38 136.53 8.72 91.26 0.02 7.55 0.76 0.07 0.00 0.01 0.00 91.33 0.27 60 G E E 33.08 5.31 19.64 25.53 125.66 -120.81 102.56 -161.88 15.26 84.72 0.02 6.25 7.80 0.42 0.00 0.02 0.00 85.45 0.07 61 D E E 83.53 8.46 18.47 27.62 116.48 -25.72 -90.01 134.27 9.32 90.67 0.01 6.87 1.71 0.12 0.00 0.01 0.00 91.24 0.05 62 A E E 16.34 18.92 15.58 34.66 128.58 -174.65 -130.33 142.47 0.99 99.01 0.00 0.91 0.04 0.00 0.00 0.00 0.00 99.02 0.03 63 F E E 97.60 9.20 23.79 33.38 118.45 -149.60 -108.48 129.59 0.34 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.66 0.03 64 I E E 11.19 23.02 15.74 38.96 125.82 -173.00 -124.55 137.36 4.98 95.01 0.00 4.80 0.11 0.00 0.00 0.00 0.00 94.90 0.18 65 R C C 104.59 5.73 24.31 30.07 111.99 -116.56 -74.81 132.91 76.80 23.10 0.10 75.22 1.21 0.07 0.01 0.07 0.00 23.15 0.27 66 G H G 16.98 19.64 13.27 32.50 91.90 -127.49 -59.97 -34.09 10.02 0.36 89.62 1.06 1.39 5.79 0.43 91.04 0.00 0.28 0.01 67 N H G 116.26 2.54 21.33 24.14 90.57 64.64 -70.71 -16.26 8.64 0.26 91.10 0.47 0.85 5.68 0.39 92.42 0.00 0.20 0.01 68 N H G 56.78 11.31 17.33 29.63 95.85 54.81 -95.63 -2.17 9.27 0.61 90.12 1.46 1.32 4.87 0.52 91.27 0.00 0.55 0.01 69 V E E 17.02 22.85 11.29 33.66 112.84 98.53 -85.54 121.83 5.77 94.02 0.21 5.67 0.37 0.05 0.12 0.07 0.00 93.07 0.64 70 L E E 87.81 5.27 20.71 26.83 100.60 177.08 -95.14 -32.36 5.28 94.52 0.20 3.48 1.58 0.08 0.08 0.04 0.00 94.70 0.03 71 Y E E 105.95 5.63 22.59 29.06 138.68 0.75 -152.95 149.59 0.78 99.04 0.18 0.59 0.07 0.03 0.07 0.03 0.00 99.21 0.01 72 I E E 47.09 21.07 13.80 33.53 124.71 -163.03 -129.12 131.12 1.09 98.81 0.10 0.99 0.06 0.02 0.07 0.02 0.00 98.80 0.05 73 S E E 47.15 6.85 20.68 28.38 130.70 -177.32 -133.51 152.14 11.06 88.55 0.39 9.82 0.86 0.17 0.27 0.13 0.00 88.48 0.28 74 T C E 60.74 13.10 12.73 25.89 119.22 -147.57 -104.14 139.51 49.96 47.46 2.58 39.16 7.79 1.97 0.99 1.49 0.00 47.89 0.71 75 Q C C 105.39 5.65 13.30 20.36 114.37 -134.98 -90.03 138.37 76.22 14.68 9.10 40.68 25.17 11.03 2.16 6.47 0.01 13.23 1.25 76 K C C 141.00 3.66 11.21 16.61 112.49 -128.94 -89.72 127.64 78.54 10.72 10.75 46.14 20.56 12.49 2.29 8.25 0.01 8.74 1.51 77 R C C 149.59 4.37 8.77 15.09 115.90 -154.04 -99.87 132.86 76.34 13.20 10.46 57.59 11.54 7.25 2.51 7.90 0.00 11.24 1.97 78 R C C 173.21 2.10 9.07 12.91 112.20 -144.18 -95.45 126.31 83.76 11.66 4.57 79.47 1.77 3.43 1.59 2.11 0.00 8.99 2.64 79 M C C 126.65 4.29 10.14 16.18 109.44 -135.71 -86.65 118.76 99.86 0.13 0.01 99.84 0.04 0.03 0.01 0.00 0.00 0.07 0.01