# 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 I C C 48.13 14.77 20.03 34.66 116.31 -161.39 -105.27 122.46 99.21 0.79 0.00 99.29 0.06 0.01 0.00 0.00 0.00 0.62 0.02 1 I E E 41.27 16.76 14.84 31.85 111.42 -141.53 -90.62 120.18 39.04 60.88 0.08 40.05 0.29 0.07 0.04 0.03 0.00 57.52 2.00 2 K E E 109.01 7.52 17.60 25.91 101.92 175.30 -94.01 -29.41 30.73 69.06 0.21 25.59 4.21 0.43 0.07 0.13 0.00 68.63 0.93 3 E E E 98.26 6.58 19.58 27.00 129.58 5.76 -142.07 141.18 20.65 79.10 0.25 15.94 4.51 0.55 0.06 0.17 0.00 78.21 0.56 4 F E E 75.17 17.10 14.87 31.06 114.97 -120.36 -81.78 132.54 26.98 72.72 0.30 25.47 1.21 0.22 0.11 0.15 0.00 71.61 1.22 5 L C C 58.81 11.67 18.81 31.11 109.62 -139.38 -89.42 116.97 59.73 39.56 0.71 51.89 5.68 0.98 0.35 0.43 0.00 36.87 3.80 6 A C C 40.46 16.34 13.70 29.25 124.06 71.23 -115.17 139.60 85.55 13.83 0.62 68.94 15.55 1.23 0.27 0.38 0.00 11.59 2.04 7 T C C 56.06 6.11 16.58 23.80 130.57 -124.75 -120.31 171.07 95.57 3.24 1.19 70.31 24.82 0.80 1.07 0.26 0.00 1.44 1.31 8 E H H 143.28 2.03 15.35 18.15 91.50 -97.28 -59.76 -38.50 11.86 0.12 88.02 2.39 4.24 5.72 86.01 1.50 0.04 0.04 0.06 9 K H H 124.10 2.85 17.44 20.72 92.15 51.77 -65.73 -39.75 8.96 0.13 90.91 1.85 1.60 5.66 88.70 2.02 0.04 0.07 0.05 10 A H H 10.83 18.27 12.45 30.86 92.42 50.70 -65.58 -40.43 4.82 0.18 95.01 2.05 0.79 2.24 92.26 2.48 0.02 0.12 0.04 11 V H H 56.03 10.41 16.33 27.64 91.83 52.58 -63.59 -41.30 2.68 0.14 97.18 1.14 0.41 1.22 95.29 1.80 0.01 0.10 0.02 12 K H H 123.44 1.63 20.93 20.77 92.04 51.03 -64.77 -40.54 3.94 0.22 95.84 1.31 0.55 2.17 93.83 1.91 0.02 0.16 0.05 13 L H H 46.02 9.21 16.26 27.08 92.26 50.58 -65.57 -40.56 4.80 0.40 94.80 1.61 0.77 2.68 92.69 1.84 0.05 0.27 0.09 14 I H H 30.71 17.36 12.30 29.28 93.15 50.49 -65.74 -40.65 6.36 0.62 93.01 2.49 1.08 3.23 90.58 1.98 0.05 0.45 0.14 15 E H H 125.92 3.31 16.68 20.90 93.16 50.30 -67.56 -37.43 9.04 0.25 90.71 2.07 1.11 5.93 88.06 2.54 0.04 0.17 0.07 16 S H H 83.51 1.48 16.61 17.25 96.13 45.25 -78.29 -31.30 16.70 0.17 83.13 2.13 1.97 12.68 80.80 2.20 0.06 0.08 0.08 17 Q H H 90.69 6.99 14.99 22.93 102.72 29.24 -101.81 0.40 46.22 0.26 53.52 6.20 9.49 29.24 52.72 2.04 0.04 0.09 0.18 18 N C T 82.53 9.08 17.11 27.36 96.44 -126.53 54.14 43.28 98.94 0.60 0.46 32.16 10.68 56.17 0.12 0.25 0.00 0.55 0.07 19 T E E 28.78 14.55 18.65 33.86 131.06 126.79 -125.32 149.31 46.28 53.68 0.04 40.32 4.45 0.19 0.01 0.03 0.00 54.35 0.65 20 L E E 16.08 20.19 21.28 41.47 117.46 -135.50 -100.99 130.22 7.90 92.09 0.00 7.80 0.19 0.01 0.00 0.00 0.00 91.81 0.19 21 T E E 21.77 16.90 24.90 41.63 121.26 -159.93 -111.71 131.43 2.62 97.38 0.00 2.62 0.03 0.00 0.00 0.00 0.00 97.32 0.03 22 I E E 7.01 23.87 21.63 45.29 123.93 -170.28 -119.96 135.03 0.54 99.46 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 23 I E E 42.99 13.26 26.73 40.44 115.02 -148.22 -101.01 124.69 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.71 0.01 24 V E E 6.36 24.00 16.54 40.72 130.69 -174.66 -125.74 150.85 2.49 97.51 0.00 2.54 0.04 0.00 0.00 0.00 0.00 97.30 0.11 25 N E E 54.78 8.38 22.57 31.58 111.86 -105.11 -71.08 139.80 40.76 59.21 0.02 40.73 0.57 0.04 0.00 0.02 0.00 58.08 0.56 26 R C T 114.80 12.89 15.15 28.32 91.32 -126.33 -62.98 -24.60 98.68 0.93 0.39 0.71 5.89 92.33 0.01 0.35 0.00 0.61 0.09 27 N C T 124.47 1.32 20.39 20.45 92.79 58.82 -87.98 -1.89 99.47 0.29 0.24 0.95 4.91 93.67 0.01 0.24 0.00 0.20 0.02 28 T C C 15.90 19.71 9.21 28.56 117.42 117.16 -70.76 142.28 99.25 0.66 0.09 76.64 22.51 0.17 0.03 0.05 0.00 0.27 0.32 29 T C C 67.68 2.93 23.47 25.00 124.55 -134.30 -91.90 165.69 93.16 6.73 0.11 93.04 0.54 0.03 0.08 0.01 0.00 0.58 5.72 30 K H H 90.52 15.08 13.70 28.37 91.13 -104.96 -58.08 -38.58 1.19 0.00 98.81 0.14 0.14 0.72 98.81 0.18 0.00 0.00 0.00 31 K H H 138.55 1.78 20.74 21.78 91.44 52.97 -63.94 -40.34 0.69 0.00 99.31 0.06 0.05 0.51 99.18 0.21 0.00 0.00 0.00 32 D H H 60.31 6.73 20.30 27.84 92.01 48.91 -65.62 -40.63 0.34 0.00 99.66 0.06 0.02 0.20 99.50 0.23 0.00 0.00 0.00 33 I H H 3.08 25.52 14.66 40.66 91.31 50.00 -63.64 -43.69 0.10 0.00 99.90 0.01 0.01 0.05 99.91 0.02 0.00 0.00 0.00 34 K H H 74.67 14.09 20.72 34.03 91.54 51.08 -62.15 -42.37 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 35 N H H 90.33 2.22 25.18 25.78 91.81 49.18 -64.63 -41.84 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 36 E H H 30.53 12.33 20.79 34.14 91.95 49.92 -64.62 -42.69 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 37 V H H 2.45 25.78 15.52 41.84 91.69 48.94 -64.88 -42.95 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 38 E H H 75.17 10.81 18.20 29.39 92.06 51.16 -63.73 -40.85 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 39 K H H 147.36 1.33 21.14 20.98 92.73 48.43 -66.56 -39.66 0.17 0.00 99.83 0.00 0.00 0.15 99.77 0.07 0.00 0.00 0.00 40 L H H 57.30 12.61 16.81 29.56 96.54 42.16 -75.85 -37.50 1.01 0.00 98.99 0.02 0.02 0.97 98.91 0.09 0.00 0.00 0.00 41 F H H 32.29 18.63 13.64 31.98 104.30 25.20 -110.87 2.44 13.84 0.03 86.14 0.63 1.36 11.08 86.62 0.26 0.01 0.01 0.02 42 S C T 89.24 1.85 21.46 22.87 94.99 -124.90 54.64 43.10 99.76 0.06 0.18 21.39 12.51 65.90 0.08 0.06 0.00 0.03 0.02 43 V C C 18.00 19.84 11.29 31.05 130.15 132.86 -121.43 150.92 97.49 2.48 0.03 70.84 26.62 0.31 0.01 0.02 0.00 1.90 0.30 44 K C C 120.94 3.24 24.70 27.69 112.88 -125.69 -89.55 128.27 91.16 8.83 0.01 90.58 0.66 0.04 0.00 0.01 0.00 8.54 0.18 45 V E E 20.12 23.36 10.75 33.33 112.72 -143.04 -89.00 124.42 25.03 74.95 0.02 26.56 0.21 0.01 0.01 0.01 0.00 72.21 0.99 46 E E E 105.93 4.00 21.31 25.70 99.41 -174.91 -87.26 -35.33 20.98 79.00 0.01 11.45 9.03 0.17 0.00 0.01 0.00 79.22 0.11 47 K E E 99.14 4.44 23.26 28.41 138.32 -1.88 -153.21 151.29 3.78 96.21 0.01 3.01 0.51 0.04 0.00 0.01 0.00 96.40 0.03 48 I E E 34.87 22.57 12.09 33.52 124.94 -163.05 -129.57 129.86 3.06 96.94 0.00 2.95 0.08 0.00 0.00 0.00 0.00 96.93 0.03 49 N E E 66.39 6.03 23.66 29.98 128.14 -175.16 -128.00 143.94 3.28 96.72 0.00 2.78 0.17 0.01 0.00 0.00 0.00 97.02 0.02 50 T E E 47.13 17.33 14.00 30.73 125.03 -159.26 -120.50 136.32 1.76 98.24 0.00 1.60 0.06 0.00 0.00 0.00 0.00 98.32 0.02 51 L E E 65.18 7.89 18.01 27.30 125.70 -170.79 -122.33 140.70 0.76 99.24 0.00 0.67 0.04 0.00 0.00 0.00 0.00 99.27 0.02 52 I E E 91.79 7.15 13.89 22.80 114.97 -142.34 -101.58 123.21 1.75 98.25 0.00 1.69 0.06 0.00 0.00 0.00 0.00 97.81 0.44 53 T C C 39.99 8.88 9.37 20.16 123.67 -147.36 -87.11 166.89 95.46 4.51 0.02 95.71 0.28 0.03 0.00 0.01 0.00 3.78 0.19 54 P C T 123.88 1.04 10.87 12.43 90.67 -98.98 -61.92 -24.57 98.14 0.27 1.59 0.76 3.88 93.30 0.03 1.82 0.00 0.17 0.05 55 K C T 156.50 0.98 11.83 12.50 92.96 56.62 -86.53 0.40 98.37 0.06 1.57 0.56 3.23 94.44 0.03 1.69 0.00 0.03 0.02 56 G C S 41.73 4.60 12.47 18.81 98.06 -101.39 87.10 6.40 98.23 0.40 1.37 19.10 75.54 3.59 0.07 1.34 0.00 0.21 0.15 57 E C C 73.72 7.48 14.38 23.68 119.03 136.91 -83.05 144.71 91.25 8.73 0.02 90.71 1.18 0.07 0.00 0.01 0.00 7.33 0.69 58 K E E 54.50 13.56 15.57 30.19 119.08 -134.46 -98.83 136.91 0.75 99.24 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.09 0.16 59 K E E 52.30 13.21 21.13 34.66 132.03 -174.04 -131.67 148.69 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 60 A E E 7.13 20.98 18.90 40.26 124.74 -152.92 -118.46 138.80 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 61 Y E E 42.45 13.75 24.49 38.77 122.39 -162.41 -117.02 133.62 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 62 V E E 7.54 22.78 19.49 42.44 123.52 -168.32 -119.87 134.35 0.75 99.25 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.27 0.01 63 K E E 72.50 10.15 26.11 36.67 117.68 -154.53 -105.50 128.98 3.83 96.17 0.00 3.64 0.10 0.00 0.00 0.00 0.00 96.16 0.10 64 L E E 11.31 23.19 13.14 36.30 121.27 -148.52 -92.52 146.35 19.17 80.82 0.01 18.84 0.44 0.01 0.00 0.01 0.00 79.06 1.64 65 K C C 92.51 6.19 20.26 26.85 116.65 -112.11 -73.41 150.56 93.01 6.95 0.04 92.24 0.92 0.10 0.01 0.02 0.00 6.40 0.31 66 Q C T 121.03 6.11 14.49 22.22 93.05 -106.65 -60.22 -30.34 98.80 0.42 0.78 0.74 5.82 92.40 0.04 0.66 0.00 0.26 0.08 67 E C T 147.50 1.60 17.53 18.57 94.63 57.61 -82.67 -5.73 99.05 0.28 0.67 1.26 4.61 93.20 0.03 0.65 0.00 0.21 0.04 68 Y C C 51.95 16.48 11.03 27.35 117.28 105.69 -87.27 136.34 96.32 2.87 0.80 63.24 32.40 0.99 0.21 0.55 0.00 1.31 1.30 69 K C C 109.56 3.82 23.51 26.94 116.35 -132.31 -87.71 143.56 77.25 21.94 0.81 75.73 1.52 0.26 0.58 0.13 0.00 3.37 18.41 70 A H H 14.28 22.65 13.33 35.52 92.22 -119.33 -59.14 -37.98 8.26 0.16 91.57 2.82 1.41 4.25 86.31 5.02 0.02 0.11 0.05 71 S H H 55.33 7.56 20.05 28.31 91.58 58.16 -63.71 -37.33 4.92 0.13 94.95 1.26 0.62 2.92 90.78 4.27 0.02 0.10 0.03 72 D H H 71.86 3.88 22.07 25.72 92.24 50.95 -66.73 -38.41 2.96 0.15 96.89 1.25 0.45 1.34 92.80 4.01 0.01 0.12 0.03 73 V H H 9.85 19.46 15.76 35.63 92.53 50.74 -65.43 -43.10 2.54 0.24 97.22 1.07 0.47 1.18 95.18 1.84 0.01 0.20 0.04 74 A H H 16.65 15.99 15.00 31.58 91.76 51.70 -63.06 -42.61 3.28 0.39 96.33 1.47 0.48 1.51 94.37 1.75 0.02 0.34 0.06 75 H H H 128.93 2.08 18.48 20.24 92.61 49.30 -65.55 -39.96 4.58 0.45 94.97 1.23 0.53 2.81 91.83 3.08 0.04 0.41 0.07 76 K H H 120.55 4.80 16.31 22.28 92.03 51.79 -67.03 -32.24 10.93 0.22 88.85 1.04 0.82 9.14 86.01 2.69 0.07 0.15 0.08 77 L C T 45.28 15.34 11.65 26.97 94.59 49.50 -86.67 -5.57 58.08 0.21 41.71 0.94 1.96 55.08 39.17 2.60 0.03 0.10 0.12 78 G C T 55.99 2.28 16.70 19.39 96.35 -114.29 75.17 16.62 98.50 0.09 1.41 3.92 2.35 92.55 0.91 0.20 0.00 0.04 0.03 79 M C C 78.82 10.46 11.21 22.52 103.07 121.70 -92.74 16.92 97.76 1.36 0.88 94.07 1.34 2.59 0.46 0.20 0.00 0.64 0.69 80 L C C 85.16 10.82 14.31 25.26 111.47 100.95 -95.25 110.77 99.64 0.35 0.01 99.65 0.10 0.02 0.00 0.00 0.00 0.19 0.03