# 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 105.03 7.90 11.84 20.74 112.95 -161.42 -90.39 126.62 99.90 0.09 0.01 99.81 0.09 0.04 0.00 0.00 0.00 0.04 0.01 1 G C C 45.85 4.66 10.64 16.78 116.68 -149.56 -97.80 167.66 94.39 2.67 2.94 88.81 1.40 4.79 1.42 0.93 0.00 1.50 1.14 2 K C C 155.75 1.96 9.78 13.02 106.90 -107.07 -86.37 69.90 84.80 4.60 10.60 50.68 19.77 14.79 5.58 4.71 0.01 2.49 1.98 3 T C C 93.75 3.58 8.75 13.91 107.97 89.06 -89.66 85.12 77.60 4.39 18.02 43.62 19.14 15.41 10.37 7.23 0.02 2.27 1.94 4 N C C 103.37 4.24 9.60 15.43 106.61 96.25 -89.46 50.48 71.50 3.04 25.46 40.92 16.67 14.58 16.53 8.36 0.02 1.50 1.43 5 D C C 99.59 3.56 10.74 15.81 104.61 107.65 -85.75 21.31 64.03 2.14 33.83 36.88 13.84 14.10 24.13 8.95 0.02 1.05 1.03 6 W C H 148.59 5.09 10.36 16.94 107.82 70.22 -89.45 70.81 53.84 2.19 43.97 31.28 10.73 12.82 33.38 9.61 0.04 1.14 1.00 7 L C H 93.48 5.17 11.19 17.84 107.10 70.47 -85.25 73.37 50.12 2.23 47.65 30.46 10.20 10.73 38.54 7.95 0.03 1.17 0.92 8 D C H 83.53 3.96 13.33 18.37 104.02 57.58 -79.15 16.44 52.70 1.03 46.27 38.77 6.72 7.56 40.89 5.11 0.00 0.50 0.45 9 F H H 104.91 6.51 11.76 19.60 95.32 68.61 -69.08 -33.20 22.63 0.37 76.99 14.25 4.10 5.71 71.56 4.04 0.01 0.18 0.15 10 D H H 86.92 4.34 14.30 19.56 94.36 56.18 -67.88 -36.83 14.57 0.22 85.20 7.91 2.43 5.19 80.37 3.89 0.01 0.12 0.08 11 Q H H 99.24 2.95 14.98 18.47 93.54 52.93 -67.49 -38.44 10.69 0.20 89.11 5.44 1.77 4.28 84.47 3.85 0.01 0.12 0.06 12 L H H 78.84 4.03 14.98 20.09 93.06 51.37 -66.76 -40.14 8.92 0.18 90.90 4.87 1.49 3.26 87.62 2.60 0.01 0.10 0.05 13 A H H 39.09 6.65 13.97 22.20 92.94 51.51 -65.29 -40.69 7.35 0.12 92.54 4.11 1.12 2.53 90.62 1.52 0.00 0.06 0.04 14 E H H 95.72 4.78 15.74 21.42 92.70 50.59 -65.55 -40.20 5.11 0.06 94.84 2.46 0.76 2.01 93.64 1.08 0.00 0.03 0.02 15 E H H 103.87 2.74 16.44 19.32 92.55 50.43 -65.67 -40.61 4.02 0.04 95.94 1.63 0.60 1.81 95.00 0.93 0.01 0.02 0.01 16 K H H 109.87 3.18 16.26 19.92 92.65 50.13 -65.41 -40.64 4.47 0.05 95.49 1.76 0.64 2.14 94.33 1.10 0.01 0.02 0.02 17 V H H 54.76 7.86 13.64 22.95 92.64 49.95 -65.47 -41.69 4.38 0.06 95.55 1.74 0.65 2.13 94.14 1.28 0.01 0.03 0.02 18 R H H 124.19 5.38 14.97 21.52 92.46 51.08 -64.84 -40.29 5.34 0.07 94.59 1.89 0.75 2.85 92.51 1.92 0.01 0.04 0.03 19 D H H 98.77 2.29 16.06 18.52 93.03 49.06 -69.15 -32.82 10.89 0.07 89.04 2.05 1.28 7.47 86.13 2.98 0.02 0.03 0.04 20 A H H 62.79 5.12 14.41 20.70 93.68 54.33 -74.03 -24.10 26.71 0.12 73.16 3.71 3.15 20.02 70.06 2.89 0.04 0.05 0.08 21 L C H 70.81 11.41 11.64 23.45 98.40 63.18 -84.79 -4.91 58.17 0.79 41.04 21.89 13.30 24.69 35.94 3.32 0.04 0.25 0.57 22 K C C 132.50 3.69 16.57 21.56 114.39 120.81 -94.13 124.96 99.02 0.69 0.29 55.89 42.55 0.64 0.17 0.09 0.00 0.19 0.46 23 P C C 74.75 8.73 13.86 23.80 116.14 -106.31 -67.44 149.27 99.78 0.18 0.04 94.19 5.37 0.26 0.01 0.02 0.00 0.07 0.08 24 P C C 60.62 11.68 13.14 25.45 114.07 -102.77 -66.23 149.87 99.27 0.41 0.32 90.17 6.62 2.52 0.05 0.28 0.00 0.24 0.14 25 S C C 66.47 6.93 17.51 25.16 104.66 -122.01 -78.65 90.11 94.01 5.52 0.47 54.84 34.66 4.57 0.04 0.60 0.00 4.72 0.57 26 M C E 75.31 11.75 17.74 29.54 122.58 -86.76 -105.89 140.66 50.77 48.94 0.30 37.82 11.77 1.24 0.03 0.33 0.00 47.98 0.83 27 Y E E 29.89 18.88 17.22 35.99 131.85 -170.02 -129.94 149.61 5.52 94.47 0.02 4.83 0.48 0.02 0.00 0.01 0.00 94.46 0.19 28 K E E 63.57 12.92 25.03 37.82 121.14 -143.19 -110.74 133.41 0.79 99.21 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.26 0.01 29 V E E 4.33 25.01 20.47 45.92 120.60 -162.15 -113.87 129.22 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 30 I E E 17.69 16.59 27.44 44.36 116.52 -160.50 -109.31 122.91 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 31 L E E 4.17 25.10 23.33 48.56 114.98 -157.89 -101.05 123.35 0.66 99.34 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.31 0.03 32 V E E 25.92 16.60 25.86 41.87 120.40 -168.46 -112.36 131.03 13.99 85.98 0.03 11.93 1.64 0.18 0.00 0.03 0.00 85.86 0.36 33 N C C 31.65 18.83 20.01 37.64 119.45 23.21 -110.44 132.91 73.44 26.46 0.10 59.49 11.29 0.95 0.02 0.11 0.00 27.39 0.75 34 D C C 34.46 14.21 17.84 32.32 124.65 -147.22 -111.12 155.29 94.83 4.92 0.25 84.54 8.55 1.74 0.06 0.21 0.00 3.23 1.66 35 D C T 103.49 5.62 17.33 24.29 92.48 -113.04 -69.16 -16.78 99.29 0.30 0.41 1.62 24.48 73.29 0.04 0.31 0.00 0.17 0.10 36 Y C T 150.31 3.71 18.19 22.45 98.08 56.67 -95.11 -11.55 99.29 0.38 0.33 2.22 22.91 74.26 0.03 0.25 0.00 0.24 0.09 37 T C S 20.34 19.09 10.87 29.59 117.77 66.79 -109.22 128.28 96.19 3.72 0.08 19.09 77.74 0.26 0.03 0.03 0.00 1.39 1.45 38 P C C 62.14 4.57 22.79 27.32 113.51 -122.53 -69.19 144.58 97.12 2.71 0.17 97.37 0.38 0.07 0.11 0.02 0.00 0.96 1.09 39 M H H 52.04 19.67 14.19 32.98 91.96 -120.35 -59.08 -38.13 1.15 0.00 98.85 0.20 0.12 0.62 98.83 0.23 0.00 0.00 0.00 40 E H H 116.13 4.53 21.95 27.47 91.17 57.70 -62.52 -38.72 0.28 0.00 99.72 0.02 0.01 0.18 99.58 0.19 0.00 0.00 0.00 41 F H H 63.31 10.02 21.94 32.55 92.06 50.00 -65.24 -41.41 0.07 0.00 99.93 0.00 0.00 0.04 99.81 0.14 0.00 0.00 0.00 42 V H H 1.73 26.39 18.51 45.37 91.20 49.69 -63.77 -44.05 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 43 I H H 19.11 18.63 21.24 39.52 91.35 49.71 -63.05 -42.76 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 44 D H H 72.36 4.29 26.02 30.26 91.62 50.40 -63.91 -42.14 0.18 0.00 99.82 0.01 0.00 0.16 99.79 0.04 0.00 0.00 0.00 45 V H H 12.42 16.66 21.41 38.67 91.76 49.65 -63.82 -43.56 0.50 0.00 99.50 0.02 0.02 0.45 99.31 0.21 0.00 0.00 0.00 46 L H H 2.24 26.34 17.72 44.55 91.39 49.71 -63.97 -42.12 0.56 0.00 99.44 0.02 0.03 0.47 99.06 0.41 0.00 0.00 0.00 47 Q H H 66.92 12.14 19.17 31.44 91.63 53.38 -64.26 -37.58 2.50 0.01 97.49 0.13 0.13 2.25 96.04 1.44 0.01 0.00 0.00 48 K H H 124.28 3.86 22.29 26.45 92.19 50.52 -68.61 -36.04 8.12 0.01 91.88 0.16 0.29 8.05 89.96 1.52 0.01 0.00 0.01 49 F H H 44.10 16.84 17.15 33.62 98.48 38.87 -85.86 -31.45 15.01 0.02 84.97 0.31 0.98 14.00 83.75 0.91 0.03 0.00 0.02 50 F C H 27.70 20.10 13.97 33.33 114.01 30.94 -116.60 48.91 60.82 1.08 38.10 11.38 25.41 23.08 37.44 1.41 0.08 0.25 0.95 51 S C C 86.80 2.51 20.91 23.49 97.86 -125.01 -26.32 41.92 99.64 0.12 0.24 52.17 8.91 38.62 0.08 0.11 0.00 0.07 0.05 52 Y C C 57.55 16.17 10.35 26.06 127.22 133.52 -102.83 157.94 99.43 0.47 0.10 75.15 23.87 0.36 0.06 0.03 0.00 0.14 0.38 53 D C C 91.08 2.26 20.96 21.83 115.07 -100.10 -72.87 146.78 99.75 0.20 0.05 99.54 0.25 0.03 0.02 0.00 0.00 0.06 0.09 54 V H H 73.76 12.68 12.37 25.27 92.34 -119.10 -58.78 -38.75 1.31 0.00 98.68 0.18 0.17 0.75 98.64 0.26 0.00 0.00 0.00 55 E H H 131.60 1.54 20.32 20.69 91.82 52.58 -63.96 -41.02 0.67 0.00 99.33 0.05 0.04 0.47 99.12 0.31 0.00 0.00 0.00 56 R H H 97.86 7.24 19.89 27.83 91.93 47.80 -65.95 -40.38 0.22 0.00 99.78 0.03 0.01 0.13 99.56 0.26 0.00 0.00 0.00 57 A H H 3.24 23.24 13.60 37.34 91.36 51.45 -62.75 -43.12 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 58 T H H 55.66 9.00 22.46 31.78 91.52 50.64 -63.17 -41.82 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 59 Q H H 98.39 3.09 25.83 28.25 91.69 50.09 -64.28 -41.75 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 60 L H H 12.01 20.38 20.63 40.72 91.51 49.45 -64.38 -43.16 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 61 M H H 13.70 22.60 20.23 42.14 91.51 50.22 -63.25 -42.72 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 62 L H H 75.75 5.03 25.27 30.42 91.30 50.02 -63.60 -41.97 0.19 0.00 99.80 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 63 A H H 25.55 8.12 21.77 31.43 91.38 49.94 -63.65 -42.23 0.45 0.00 99.55 0.04 0.03 0.28 99.61 0.04 0.00 0.00 0.00 64 V H H 5.68 23.15 15.53 38.92 91.55 49.04 -64.21 -43.15 0.49 0.00 99.51 0.05 0.04 0.30 99.52 0.09 0.00 0.00 0.00 65 H H H 78.83 13.54 18.48 31.47 93.25 46.69 -67.93 -40.10 1.15 0.00 98.84 0.06 0.06 0.96 98.75 0.18 0.00 0.00 0.00 66 Y H H 152.53 2.45 20.49 22.58 98.31 36.41 -80.73 -36.61 5.05 0.00 94.95 0.07 0.19 5.00 94.51 0.22 0.01 0.00 0.00 67 Q H H 101.75 4.43 19.10 23.83 100.51 24.14 -105.08 -12.70 12.94 0.03 87.03 0.36 1.31 11.09 86.95 0.23 0.02 0.01 0.02 68 G C S 22.51 14.21 16.09 30.46 96.15 -123.40 76.21 9.06 97.79 2.12 0.09 28.46 66.94 2.56 0.03 0.05 0.00 1.80 0.17 69 K E E 77.91 10.34 22.15 33.26 139.15 61.48 -143.03 154.50 33.12 66.80 0.09 28.28 3.82 0.23 0.02 0.06 0.00 66.97 0.61 70 A E E 13.96 21.55 18.19 39.18 137.06 -176.03 -145.31 152.91 6.76 93.20 0.04 6.05 0.51 0.05 0.01 0.02 0.00 93.12 0.24 71 I E E 67.84 11.27 25.67 37.07 115.14 -123.38 -95.77 126.34 2.20 97.78 0.01 1.99 0.11 0.01 0.00 0.01 0.00 97.77 0.10 72 C E E 13.09 23.11 17.43 40.13 106.24 -171.46 -104.81 -8.66 2.66 97.32 0.01 2.16 0.26 0.02 0.00 0.01 0.00 97.49 0.06 73 G E E 17.02 11.47 25.00 36.85 141.68 -64.77 156.37 173.93 1.79 98.20 0.01 1.44 0.16 0.01 0.00 0.00 0.00 98.34 0.04 74 V E E 53.30 17.27 20.78 36.86 121.72 -113.23 -110.14 134.07 2.91 97.07 0.01 2.59 0.18 0.01 0.01 0.01 0.00 97.05 0.15 75 F E E 29.18 17.41 17.53 35.11 134.13 169.82 -134.53 157.52 16.89 83.08 0.02 15.40 1.17 0.04 0.01 0.01 0.00 82.88 0.49 76 T C C 55.59 5.90 23.36 29.35 120.35 -110.16 -78.37 160.86 60.28 39.65 0.07 59.12 1.21 0.06 0.04 0.03 0.00 38.71 0.83 77 A H H 38.56 15.31 14.14 29.61 91.72 -108.86 -57.78 -39.39 3.10 0.01 96.88 0.33 0.43 2.24 96.09 0.89 0.00 0.00 0.00 78 E H H 132.33 1.45 21.94 21.82 91.48 53.17 -64.37 -40.32 1.68 0.00 98.32 0.15 0.15 1.29 97.59 0.81 0.00 0.00 0.00 79 V H H 54.67 7.39 19.78 28.15 92.13 47.78 -66.18 -41.01 1.00 0.00 98.99 0.12 0.09 0.71 98.35 0.73 0.00 0.00 0.00 80 A H H 5.17 23.04 13.52 36.82 91.48 52.26 -62.98 -42.80 0.37 0.00 99.63 0.07 0.03 0.20 99.57 0.14 0.00 0.00 0.00 81 E H H 97.47 7.27 21.08 28.95 91.46 51.13 -63.18 -41.38 0.45 0.00 99.55 0.05 0.02 0.29 99.57 0.08 0.00 0.00 0.00 82 T H H 78.30 2.16 23.98 24.40 91.86 49.18 -64.70 -41.81 0.64 0.00 99.36 0.05 0.02 0.47 99.39 0.07 0.00 0.00 0.00 83 K H H 48.27 15.30 20.31 35.19 92.14 48.82 -65.36 -41.58 0.32 0.00 99.68 0.04 0.02 0.20 99.71 0.04 0.00 0.00 0.00 84 V H H 18.15 19.89 18.04 37.69 91.41 51.01 -62.79 -42.68 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 85 A H H 54.43 3.18 23.73 26.27 91.02 50.78 -62.74 -41.51 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 86 M H H 83.12 4.86 23.14 28.14 91.57 49.72 -64.71 -41.35 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 87 V H H 9.34 21.77 16.84 38.91 91.79 49.87 -64.07 -42.91 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 88 N H H 59.81 11.44 20.18 31.70 91.58 51.17 -63.36 -41.07 0.47 0.00 99.53 0.05 0.02 0.28 99.59 0.06 0.00 0.00 0.00 89 K H H 119.17 1.64 23.30 22.67 91.72 49.90 -64.34 -41.69 1.13 0.00 98.87 0.12 0.07 0.76 98.91 0.14 0.00 0.00 0.00 90 Y H H 64.73 8.30 18.35 28.14 92.21 48.93 -65.29 -41.59 1.55 0.01 98.45 0.21 0.15 1.00 98.37 0.27 0.00 0.00 0.00 91 A H H 13.55 16.46 11.76 28.88 92.13 52.06 -64.22 -40.86 3.15 0.02 96.82 0.67 0.34 1.89 96.43 0.64 0.00 0.01 0.00 92 R H H 158.22 2.30 16.31 19.23 92.23 50.38 -65.47 -38.03 7.99 0.04 91.97 1.11 0.68 5.88 91.13 1.16 0.01 0.02 0.02 93 E H H 143.98 1.15 15.65 15.79 93.01 48.45 -70.36 -29.73 14.69 0.05 85.25 1.12 1.48 11.62 84.84 0.87 0.02 0.01 0.03 94 N C H 79.37 7.26 11.22 19.80 100.84 37.16 -98.90 5.93 54.79 0.22 44.99 10.54 9.68 32.68 45.62 1.23 0.02 0.06 0.17 95 E C T 157.19 1.40 15.80 17.16 94.99 -126.00 57.54 21.67 98.61 0.14 1.25 16.23 39.25 43.29 0.61 0.48 0.00 0.06 0.09 96 H C S 80.28 9.83 13.83 24.71 121.10 91.90 -122.95 126.33 99.61 0.34 0.05 24.76 74.30 0.65 0.01 0.02 0.00 0.15 0.10 97 P C C 66.25 7.84 20.11 28.53 113.12 -122.23 -69.31 143.61 99.00 0.97 0.03 92.95 5.77 0.38 0.00 0.02 0.00 0.78 0.10 98 L E E 14.16 23.87 13.57 37.30 119.87 -146.82 -106.43 134.70 38.15 61.79 0.06 34.94 2.58 0.18 0.01 0.05 0.00 60.62 1.62 99 L E E 71.29 7.74 26.29 34.52 120.53 -156.50 -109.06 133.87 9.28 90.70 0.01 8.62 0.59 0.04 0.00 0.01 0.00 90.49 0.25 100 C E E 13.64 24.46 13.87 37.96 128.09 -170.61 -125.67 142.94 3.29 96.71 0.01 3.25 0.11 0.01 0.00 0.00 0.00 96.57 0.06 101 T E E 54.74 6.98 26.32 33.76 126.50 -170.61 -125.93 141.16 1.25 98.74 0.00 1.26 0.04 0.00 0.00 0.00 0.00 98.66 0.03 102 L E E 34.98 21.84 14.05 35.08 121.98 -154.02 -114.12 132.67 1.28 98.72 0.00 1.31 0.03 0.00 0.00 0.00 0.00 98.62 0.04 103 E E E 93.34 5.56 20.45 26.92 127.06 -174.95 -125.58 144.69 2.94 97.06 0.00 2.75 0.12 0.01 0.00 0.00 0.00 97.03 0.09 104 K E E 126.45 7.14 13.79 22.64 113.37 -109.41 -73.64 136.48 11.77 88.19 0.04 11.85 0.22 0.04 0.01 0.02 0.00 87.34 0.52 105 A C C 56.65 9.69 12.80 23.14 113.99 -143.91 -87.96 144.31 99.69 0.30 0.00 99.71 0.05 0.01 0.00 0.00 0.00 0.21 0.00