# 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 Q C C 126.36 3.48 12.64 17.71 114.10 -147.80 -85.19 132.35 99.95 0.04 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.02 0.00 1 Q C C 121.90 4.01 10.61 16.52 114.22 -136.03 -88.61 135.07 94.52 3.75 1.73 90.98 1.14 3.01 0.50 0.80 0.00 2.80 0.78 2 Q C C 109.24 5.91 11.20 18.78 117.12 -142.82 -95.78 137.18 86.92 11.30 1.78 69.66 11.77 4.56 0.30 1.62 0.00 11.27 0.82 3 Q C C 98.45 7.14 13.94 22.39 117.45 -143.32 -100.75 134.08 65.54 33.11 1.36 53.24 8.39 2.53 0.23 1.18 0.00 33.41 1.03 4 I E E 67.80 11.51 14.47 26.92 119.85 -152.51 -109.63 131.88 35.38 64.38 0.25 31.80 2.70 0.33 0.06 0.16 0.00 64.23 0.72 5 I E E 40.30 13.88 16.24 31.17 121.16 -162.12 -112.95 133.53 13.09 86.84 0.07 11.76 1.01 0.10 0.02 0.04 0.00 86.83 0.25 6 K E E 87.23 10.09 20.77 31.33 121.01 -158.74 -112.68 132.40 6.80 93.18 0.02 6.26 0.42 0.03 0.00 0.01 0.00 93.17 0.11 7 I E E 15.52 21.11 16.26 37.63 122.94 -167.53 -120.20 132.25 3.14 96.85 0.01 3.11 0.09 0.00 0.00 0.00 0.00 96.74 0.05 8 R E E 94.40 9.02 24.02 33.53 118.02 -157.34 -109.89 126.80 2.11 97.89 0.00 2.03 0.06 0.00 0.00 0.00 0.00 97.89 0.02 9 I E E 8.43 23.85 16.99 41.34 120.81 -167.20 -115.42 128.89 1.19 98.81 0.00 1.23 0.02 0.00 0.00 0.00 0.00 98.74 0.01 10 T E E 44.27 9.54 26.16 36.42 119.01 -162.81 -111.91 127.18 0.72 99.28 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.27 0.01 11 L E E 5.64 25.11 17.59 43.25 122.73 -169.05 -116.65 135.55 1.15 98.85 0.00 1.17 0.02 0.00 0.00 0.00 0.00 98.79 0.03 12 T E E 48.86 9.78 26.06 36.29 127.43 -170.38 -124.73 142.16 3.97 96.02 0.01 3.81 0.13 0.01 0.00 0.00 0.00 95.90 0.14 13 S E E 9.87 20.41 15.05 35.70 138.04 164.24 -147.78 158.82 27.38 72.58 0.04 26.52 0.96 0.07 0.01 0.02 0.00 71.12 1.29 14 T C S 85.42 5.76 20.79 27.36 95.43 -141.30 -88.10 -13.03 99.25 0.72 0.03 2.72 96.07 0.67 0.00 0.01 0.00 0.47 0.05 15 K C C 92.79 6.72 19.57 27.25 110.42 72.17 -105.35 105.09 98.93 0.92 0.14 63.37 35.19 0.56 0.08 0.05 0.00 0.36 0.40 16 V H H 54.81 15.52 13.67 29.31 93.60 -166.82 -63.00 -37.72 3.06 0.01 96.93 0.70 0.48 1.67 95.78 1.37 0.00 0.00 0.00 17 K H H 139.95 1.64 21.35 22.02 91.77 54.34 -63.67 -40.46 1.81 0.00 98.19 0.19 0.17 1.33 96.65 1.66 0.00 0.00 0.00 18 Q H H 64.29 8.19 19.56 28.70 92.04 48.35 -66.11 -39.82 0.98 0.01 99.01 0.19 0.08 0.61 97.27 1.85 0.00 0.00 0.00 19 L H H 5.53 24.52 14.12 38.86 91.39 52.06 -63.69 -42.81 0.28 0.00 99.72 0.06 0.02 0.13 99.61 0.18 0.00 0.00 0.00 20 E H H 84.57 10.50 21.88 32.20 91.40 51.41 -63.32 -41.39 0.14 0.00 99.86 0.02 0.00 0.07 99.88 0.03 0.00 0.00 0.00 21 N H H 93.88 2.24 25.91 26.81 91.76 49.89 -64.61 -41.54 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 22 V H H 14.77 17.73 21.20 38.98 91.72 49.02 -64.42 -43.32 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 23 S H H 5.44 23.46 19.48 42.70 91.45 50.87 -63.55 -42.63 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 24 S H H 49.42 5.63 24.60 30.42 91.32 51.64 -63.62 -41.74 0.17 0.00 99.83 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 25 N H H 66.31 6.24 24.77 31.36 91.71 49.91 -65.12 -41.09 0.18 0.00 99.82 0.01 0.00 0.14 99.83 0.02 0.00 0.00 0.00 26 I H H 5.37 23.90 19.79 43.51 91.70 49.72 -63.96 -43.75 0.17 0.00 99.83 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 27 V H H 28.81 16.55 20.97 37.17 91.63 49.82 -63.13 -42.71 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 28 K H H 117.53 2.04 25.21 25.52 91.69 49.63 -63.75 -41.82 0.32 0.00 99.68 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 29 N H H 35.15 9.67 19.78 30.96 92.07 49.53 -65.03 -40.84 0.75 0.00 99.25 0.05 0.04 0.51 99.32 0.08 0.00 0.00 0.00 30 A H H 5.53 21.03 12.78 34.16 91.49 51.34 -63.70 -41.62 1.16 0.00 98.84 0.18 0.09 0.71 98.78 0.23 0.00 0.00 0.00 31 E H H 120.28 4.15 17.44 22.86 91.67 50.98 -64.32 -39.94 1.78 0.01 98.21 0.17 0.09 1.33 97.85 0.55 0.00 0.00 0.00 32 Q H H 135.21 1.33 17.16 17.75 91.03 52.71 -66.09 -30.14 7.76 0.01 92.23 0.22 0.26 7.27 91.74 0.49 0.01 0.00 0.00 33 H C T 84.23 8.98 12.69 23.09 96.40 44.85 -96.97 7.19 82.85 0.04 17.12 0.42 1.63 80.02 17.23 0.65 0.00 0.01 0.04 34 N C T 136.22 0.99 18.74 18.41 93.41 -117.48 59.64 39.18 99.81 0.01 0.18 1.63 1.13 97.14 0.07 0.03 0.00 0.00 0.00 35 L C C 25.41 20.03 8.83 27.81 119.48 153.94 -95.40 140.18 98.08 1.90 0.02 97.03 1.17 0.06 0.01 0.01 0.00 1.61 0.11 36 V C C 94.44 3.25 23.40 26.26 112.43 -130.60 -89.07 127.90 50.71 49.24 0.06 50.23 0.78 0.08 0.02 0.03 0.00 47.94 0.94 37 K E E 57.69 20.95 10.78 30.05 120.16 -161.10 -106.70 132.05 12.47 87.48 0.06 12.40 0.34 0.04 0.04 0.02 0.00 81.39 5.77 38 K E E 130.99 3.80 19.24 23.74 105.01 -173.13 -102.51 10.02 27.09 72.85 0.06 21.86 4.87 0.31 0.02 0.05 0.00 71.88 1.03 39 G E E 29.48 5.03 19.95 25.75 133.94 -59.39 115.49 -174.63 49.38 50.61 0.02 14.70 34.24 0.50 0.00 0.02 0.00 50.24 0.30 40 P C C 64.61 12.26 15.96 28.49 115.22 -46.44 -70.26 144.66 56.78 43.19 0.03 50.58 4.26 0.15 0.00 0.03 0.00 44.42 0.57 41 V E E 35.23 15.76 15.84 32.17 122.48 -160.41 -117.15 132.79 20.95 79.01 0.03 19.79 0.86 0.04 0.02 0.02 0.00 69.32 9.96 42 R E E 139.86 5.86 21.76 28.81 115.07 -131.55 -88.20 131.14 39.72 60.27 0.02 39.30 0.90 0.03 0.01 0.01 0.00 54.25 5.51 43 L C C 26.95 21.64 12.13 32.90 119.07 -138.42 -85.68 143.51 90.88 9.11 0.01 89.42 2.12 0.03 0.00 0.01 0.00 8.04 0.39 44 P C C 53.31 8.15 18.60 27.84 115.38 -103.47 -66.01 151.67 92.73 7.21 0.06 89.44 3.21 0.21 0.01 0.04 0.00 6.56 0.53 45 T C C 82.40 9.22 15.28 25.27 101.43 -131.89 -86.18 -7.00 69.81 30.07 0.12 48.90 20.11 0.63 0.02 0.13 0.00 29.29 0.91 46 K E E 102.99 6.70 16.95 24.84 124.18 58.53 -115.27 144.02 13.86 86.05 0.08 11.19 2.37 0.20 0.01 0.07 0.00 85.82 0.33 47 V E E 68.83 10.63 15.01 26.62 120.22 -150.67 -111.33 130.67 2.14 97.84 0.02 2.00 0.11 0.01 0.01 0.01 0.00 97.78 0.08 48 L E E 50.88 12.44 14.43 27.97 120.05 -159.09 -107.71 134.45 0.82 99.17 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.19 0.02 49 K E E 113.14 6.45 18.10 25.86 119.19 -157.98 -109.70 131.10 0.66 99.33 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.38 0.01 50 I E E 46.70 14.15 13.62 28.58 121.73 -166.61 -117.00 134.12 1.30 98.70 0.01 1.18 0.05 0.01 0.00 0.00 0.00 98.73 0.03 51 S E E 45.82 7.49 17.26 26.17 124.64 -166.75 -114.94 148.55 4.52 95.44 0.04 4.01 0.30 0.05 0.01 0.02 0.00 95.52 0.09 52 T E E 53.00 12.17 13.74 26.64 124.12 -160.20 -118.60 140.45 8.89 91.01 0.10 7.69 1.04 0.17 0.03 0.05 0.00 90.59 0.44 53 R E E 122.94 6.84 14.75 22.96 118.37 -138.93 -98.51 136.91 17.85 81.98 0.17 15.15 2.74 0.41 0.05 0.12 0.00 80.40 1.15 54 K C E 124.99 5.29 13.76 20.66 115.94 -135.51 -91.43 136.80 50.80 49.01 0.19 43.12 6.74 0.56 0.07 0.17 0.00 46.30 3.05 55 T C C 48.06 9.14 9.64 20.38 117.21 -116.71 -84.03 143.38 91.33 8.47 0.20 84.40 6.12 0.71 0.05 0.16 0.00 7.31 1.26 56 P C T 104.98 2.53 12.05 15.91 93.32 -127.83 -65.56 -21.76 95.32 1.37 3.31 7.93 24.92 62.20 0.28 3.29 0.00 0.98 0.38 57 N C T 106.40 3.07 10.30 14.55 98.10 53.29 -89.40 -2.01 93.76 1.70 4.54 6.48 26.72 60.44 0.46 4.17 0.00 0.99 0.74 58 G C S 44.58 3.80 10.14 15.57 110.41 -105.19 84.19 7.17 86.65 3.41 9.94 21.56 43.77 21.16 1.16 8.80 0.00 1.64 1.92 59 E C T 145.87 1.83 10.17 13.22 105.54 57.52 -79.26 88.57 85.46 1.94 12.60 11.58 19.26 54.18 1.50 11.39 0.01 1.13 0.96 60 G C T 60.82 1.39 11.57 13.24 98.67 7.26 81.92 -0.52 85.67 2.10 12.23 14.06 20.95 50.40 1.41 11.02 0.00 1.21 0.93 61 S C C 60.36 4.67 9.16 15.76 118.03 118.38 -89.40 149.51 84.82 6.05 9.13 44.54 27.42 13.18 1.42 7.93 0.00 3.62 1.90 62 K C C 146.77 2.99 12.36 16.87 106.10 -125.29 -85.18 86.97 79.10 17.16 3.75 54.75 15.90 8.31 0.63 3.45 0.00 14.88 2.09 63 T C C 66.61 6.41 11.70 19.88 124.16 137.33 -109.14 146.36 54.15 45.10 0.75 44.90 7.36 1.38 0.19 0.64 0.00 43.08 2.45 64 W E E 120.13 9.41 11.66 22.32 120.77 -139.71 -102.00 139.19 24.60 75.29 0.11 22.01 1.91 0.28 0.03 0.08 0.00 74.09 1.60 65 E E E 93.75 7.32 14.64 23.40 120.66 -155.43 -109.89 136.55 13.50 86.47 0.04 11.54 1.36 0.12 0.01 0.03 0.00 86.61 0.33 66 T E E 71.37 7.88 14.74 23.93 120.40 -136.86 -109.27 135.24 7.02 92.97 0.01 6.42 0.32 0.02 0.00 0.00 0.00 93.09 0.15 67 Y E E 61.92 13.21 12.75 27.00 126.88 -170.19 -121.93 145.62 3.41 96.58 0.00 3.24 0.07 0.00 0.00 0.00 0.00 96.62 0.07 68 E E E 100.20 6.17 17.95 25.31 120.97 -147.61 -109.40 135.60 2.03 97.97 0.00 1.85 0.05 0.00 0.00 0.00 0.00 98.07 0.03 69 M E E 52.29 15.46 13.66 29.26 124.45 -167.67 -115.01 141.19 2.42 97.57 0.00 2.22 0.06 0.00 0.00 0.00 0.00 97.70 0.02 70 R E E 98.98 8.41 18.90 28.28 118.52 -147.56 -107.38 130.95 1.49 98.50 0.00 1.37 0.04 0.00 0.00 0.00 0.00 98.56 0.02 71 I E E 45.68 14.43 16.55 31.73 119.52 -161.00 -112.16 129.00 2.07 97.92 0.00 1.89 0.08 0.00 0.00 0.00 0.00 97.97 0.05 72 H E E 45.89 12.92 18.01 32.05 122.26 -167.24 -115.60 135.95 4.24 95.75 0.01 3.79 0.26 0.02 0.00 0.00 0.00 95.85 0.08 73 K E E 85.96 12.19 19.48 31.67 125.97 -165.11 -120.42 138.71 8.18 91.81 0.01 7.44 0.45 0.02 0.00 0.00 0.00 91.98 0.10 74 R E E 49.29 16.56 17.92 34.41 126.15 -167.65 -122.77 139.54 5.15 94.84 0.01 4.86 0.19 0.01 0.00 0.00 0.00 94.86 0.08 75 Y E E 72.65 11.32 22.17 34.03 120.46 -155.79 -113.37 131.13 1.15 98.85 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.87 0.03 76 I E E 10.71 22.21 17.59 40.15 121.17 -166.31 -116.62 128.92 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 77 D E E 56.59 8.79 25.31 34.53 115.37 -156.01 -102.83 124.60 0.75 99.24 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.01 78 L E E 12.01 23.00 14.52 37.54 119.70 -165.62 -109.51 131.04 11.70 88.08 0.22 11.02 0.54 0.14 0.09 0.10 0.00 87.65 0.46 79 E C E 96.24 6.68 22.05 29.00 111.60 -156.40 -98.18 117.25 58.86 40.82 0.33 30.10 27.88 1.82 0.07 0.24 0.00 39.06 0.82 80 A C S 36.63 11.43 17.03 29.25 123.87 16.03 -124.29 139.86 90.68 8.79 0.53 22.76 65.89 1.93 0.25 0.21 0.00 8.44 0.52 81 P C C 51.68 10.83 16.61 28.23 106.85 -103.25 -68.60 126.74 90.80 1.88 7.32 83.80 4.34 2.90 6.06 1.16 0.00 1.30 0.43 82 V H H 72.94 9.65 15.34 25.60 96.14 -142.69 -66.55 -34.34 42.60 0.60 56.80 28.60 6.80 7.34 54.09 2.65 0.00 0.26 0.26 83 Q H H 107.63 3.20 19.66 22.69 93.43 58.74 -65.98 -36.83 18.94 0.39 80.67 9.98 3.34 6.37 77.29 2.64 0.04 0.20 0.15 84 I H H 28.19 15.41 16.01 31.77 93.05 51.36 -66.17 -41.38 7.26 0.34 92.40 3.97 1.07 2.61 89.27 2.73 0.01 0.26 0.06 85 V H H 26.10 17.72 15.31 32.87 92.14 52.42 -63.34 -41.89 2.58 0.16 97.26 1.20 0.36 1.09 95.37 1.81 0.00 0.15 0.02 86 K H H 115.55 3.69 20.21 24.20 92.02 51.90 -64.21 -39.83 2.22 0.12 97.65 0.72 0.28 1.24 95.10 2.51 0.01 0.13 0.01 87 R H H 112.24 6.13 19.47 26.27 92.30 50.99 -66.34 -39.34 3.21 0.16 96.63 0.77 0.36 2.04 93.10 3.54 0.01 0.16 0.02 88 I H H 19.28 21.24 14.18 34.87 92.85 51.00 -67.69 -36.29 5.09 0.24 94.67 0.98 0.55 3.42 90.45 4.31 0.03 0.21 0.03 89 T H H 58.21 12.44 16.45 28.95 92.71 58.60 -72.57 -20.40 24.36 0.49 75.15 2.42 2.00 19.35 71.68 3.95 0.12 0.32 0.16 90 Q C T 130.54 1.94 19.75 21.14 95.66 55.76 -88.56 -5.93 60.23 0.95 38.81 6.36 4.51 47.04 36.06 5.00 0.07 0.57 0.38 91 I C C 45.61 16.75 10.13 26.62 117.49 103.75 -82.97 138.34 91.95 6.23 1.83 59.00 31.18 2.43 1.39 0.57 0.00 3.98 1.45 92 T C C 98.03 2.81 20.83 24.00 113.45 -143.00 -98.33 122.12 83.78 15.57 0.65 81.23 1.95 0.81 0.33 0.24 0.00 13.12 2.31 93 I C C 38.67 20.82 10.52 30.08 120.76 -167.45 -111.05 132.74 59.54 40.32 0.14 58.04 2.05 0.08 0.12 0.04 0.00 14.17 25.50 94 E C C 99.26 5.53 18.96 25.10 117.65 -123.91 -76.29 148.97 99.25 0.73 0.02 98.92 0.51 0.04 0.00 0.00 0.00 0.42 0.10 95 P C T 91.76 5.51 16.23 23.21 111.15 -86.61 -61.02 139.33 99.11 0.53 0.36 0.82 3.49 94.98 0.03 0.24 0.00 0.36 0.08 96 G C T 42.55 5.14 18.29 24.55 96.50 23.66 86.95 -4.90 98.64 1.04 0.32 1.35 3.61 93.81 0.02 0.26 0.00 0.89 0.06 97 V C C 24.52 19.16 11.87 31.10 119.87 116.83 -99.99 135.29 57.56 42.37 0.07 52.23 4.05 0.23 0.01 0.07 0.00 42.65 0.76 98 D E E 81.21 5.32 23.02 28.99 118.25 -152.59 -107.31 131.05 13.14 86.83 0.03 12.71 0.35 0.05 0.01 0.02 0.00 86.57 0.29 99 V E E 24.48 22.57 12.90 34.94 125.71 -171.00 -124.98 137.31 7.00 92.99 0.01 6.93 0.12 0.01 0.00 0.00 0.00 92.87 0.07 100 E E E 95.08 5.37 24.68 30.50 121.54 -166.21 -117.19 133.45 4.06 95.94 0.00 4.03 0.09 0.01 0.00 0.00 0.00 95.83 0.05 101 V E E 26.80 22.10 13.35 34.97 123.18 -165.37 -118.40 132.77 4.45 95.55 0.00 4.57 0.07 0.01 0.00 0.00 0.00 95.30 0.05 102 V E E 65.53 6.34 23.13 30.04 124.39 -171.33 -121.98 138.80 4.10 95.89 0.01 4.13 0.11 0.01 0.00 0.00 0.00 95.64 0.11 103 V E E 50.92 15.57 13.81 29.48 116.59 -144.02 -97.65 129.88 9.77 90.20 0.03 9.25 0.37 0.04 0.01 0.02 0.00 89.86 0.45 104 A E E 47.57 8.94 13.63 23.97 117.23 -151.59 -97.47 140.85 43.29 56.46 0.25 36.92 4.44 0.77 0.06 0.19 0.00 56.75 0.86 105 S C C 76.25 4.49 12.06 18.31 115.04 -140.84 -97.40 136.19 73.69 26.08 0.23 67.42 3.14 1.25 0.04 0.19 0.00 27.00 0.95 106 N C C 122.69 2.90 13.62 17.83 101.96 -94.21 -80.01 34.11 99.81 0.18 0.01 99.63 0.17 0.06 0.00 0.00 0.00 0.13 0.01