# 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 104.86 7.66 16.58 24.99 109.46 57.46 -92.54 110.58 99.94 0.05 0.00 99.89 0.06 0.01 0.00 0.00 0.00 0.03 0.00 1 A C C 48.25 10.88 17.55 28.67 116.54 -130.08 -87.37 140.30 84.62 15.31 0.07 83.46 0.89 0.26 0.01 0.04 0.00 14.77 0.57 2 V E E 42.85 14.81 19.67 34.42 121.09 -145.31 -106.27 137.72 44.46 55.47 0.07 35.94 6.52 0.29 0.01 0.06 0.00 56.69 0.49 3 A E E 5.74 21.37 21.80 43.13 129.47 -165.63 -123.53 148.32 7.68 92.30 0.02 6.85 0.63 0.04 0.00 0.01 0.00 92.29 0.18 4 V E E 8.19 22.96 27.19 49.29 123.29 -156.20 -118.26 132.81 1.24 98.76 0.00 1.08 0.11 0.01 0.00 0.00 0.00 98.77 0.04 5 G E E 1.12 25.66 27.13 51.98 128.33 -168.86 -122.50 148.05 0.38 99.62 0.00 0.30 0.02 0.00 0.00 0.00 0.00 99.67 0.00 6 M E E 10.56 22.90 28.99 50.90 120.35 -158.47 -116.82 128.40 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 7 I E E 1.51 27.02 26.31 53.23 121.59 -168.11 -118.43 130.97 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 8 E E E 32.89 17.24 28.77 45.45 117.68 -161.96 -108.78 125.50 0.78 99.22 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.01 9 T E E 5.27 24.05 19.62 43.64 135.86 168.43 -137.25 158.10 12.24 87.75 0.01 12.11 0.27 0.01 0.00 0.00 0.00 87.26 0.35 10 L C S 75.81 10.70 25.22 35.83 109.73 -121.07 -95.65 109.43 83.93 16.02 0.05 15.72 66.86 0.79 0.01 0.03 0.00 16.28 0.31 11 G C S 20.01 9.82 25.07 35.35 134.18 -4.49 111.21 166.50 96.89 1.87 1.24 13.97 81.48 1.84 1.11 0.16 0.00 0.68 0.76 12 F H H 70.20 18.37 18.04 35.27 91.98 -94.24 -61.94 -38.97 2.08 0.00 97.91 0.24 0.35 1.32 97.62 0.46 0.00 0.00 0.00 13 P H H 73.75 5.21 25.31 30.82 91.18 53.46 -63.05 -39.70 1.27 0.00 98.73 0.14 0.09 0.88 98.28 0.61 0.00 0.00 0.00 14 A H H 15.03 16.73 21.67 38.37 91.57 50.34 -65.94 -40.42 0.37 0.00 99.63 0.07 0.03 0.21 99.11 0.58 0.00 0.00 0.00 15 V H H 1.89 27.26 19.27 46.90 91.23 51.18 -63.51 -43.21 0.15 0.00 99.85 0.02 0.01 0.07 99.82 0.07 0.00 0.00 0.00 16 V H H 53.10 12.57 26.90 39.28 91.87 49.79 -63.62 -42.46 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 17 E H H 84.31 6.20 29.17 36.46 91.46 49.71 -64.01 -42.22 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 18 A H H 2.30 25.14 22.90 47.78 91.94 49.69 -64.29 -42.87 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 19 A H H 3.22 25.48 22.96 47.95 91.10 51.07 -63.08 -43.00 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 20 D H H 73.37 6.21 28.59 35.52 91.54 50.47 -63.79 -41.68 0.09 0.00 99.91 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 21 A H H 22.43 11.52 25.21 37.55 91.54 49.79 -64.74 -41.89 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 22 M H H 2.61 27.07 18.89 46.44 91.68 50.23 -64.16 -42.88 0.21 0.00 99.79 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 23 V H H 39.07 17.68 20.35 36.98 92.03 50.44 -64.93 -38.42 0.82 0.00 99.17 0.06 0.04 0.62 99.12 0.16 0.00 0.00 0.00 24 K H H 145.30 2.05 24.08 25.67 91.75 51.21 -69.85 -28.07 3.34 0.00 96.66 0.08 0.10 3.08 96.50 0.24 0.00 0.00 0.00 25 A H H 36.66 13.43 18.36 31.82 97.21 43.50 -89.18 -19.02 11.28 0.01 88.70 0.23 0.52 10.45 88.49 0.29 0.01 0.00 0.01 26 A C T 15.46 19.38 16.47 35.25 138.12 19.81 -141.99 163.97 73.33 1.85 24.83 7.35 25.33 38.06 26.22 1.39 0.07 0.92 0.67 27 R C T 146.70 3.98 24.62 28.99 101.92 -110.14 -74.45 86.34 97.13 2.60 0.27 25.67 13.38 58.09 0.06 0.16 0.00 2.50 0.15 28 V C E 7.28 25.48 12.06 37.63 126.68 147.13 -114.20 144.56 51.66 48.32 0.02 48.31 1.45 0.05 0.00 0.01 0.00 49.96 0.20 29 T E E 61.72 6.42 27.07 34.13 119.31 -148.28 -111.87 131.18 5.55 94.43 0.01 5.23 0.15 0.01 0.00 0.00 0.00 94.53 0.06 30 L E E 41.20 21.07 15.54 35.98 110.32 -128.91 -81.28 123.62 0.86 99.14 0.00 0.85 0.01 0.00 0.00 0.00 0.00 99.12 0.02 31 V E E 59.63 9.57 21.44 31.74 100.60 175.49 -97.55 -27.39 1.81 98.18 0.00 1.13 0.39 0.05 0.00 0.00 0.00 98.41 0.01 32 G E E 17.20 8.25 24.25 33.89 145.30 -22.03 -169.65 167.34 0.78 99.22 0.00 0.52 0.11 0.01 0.00 0.00 0.00 99.35 0.00 33 Y E E 71.48 21.59 13.71 33.86 131.33 -151.04 -139.58 141.09 0.70 99.29 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 34 E E E 87.64 6.46 23.01 30.14 125.54 -172.13 -130.15 136.19 0.89 99.11 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.18 0.01 35 K E E 116.72 8.97 15.80 26.05 111.82 -128.04 -81.55 124.28 5.73 94.25 0.03 5.02 0.36 0.06 0.00 0.01 0.00 94.44 0.11 36 I E E 66.09 11.42 12.63 24.88 104.84 -178.57 -102.92 -5.78 39.80 59.92 0.27 33.20 4.65 0.90 0.04 0.24 0.00 60.43 0.54 37 G C E 49.63 2.57 16.30 19.14 118.19 -73.95 86.01 -165.24 52.82 43.92 3.26 6.55 21.82 28.49 0.15 3.40 0.01 37.88 1.70 38 T C T 101.61 3.45 16.08 20.01 98.06 15.93 -42.15 23.33 95.34 0.57 4.09 2.25 14.10 77.84 0.10 5.16 0.00 0.39 0.16 39 G C T 27.59 10.77 15.37 26.90 97.15 -62.67 86.88 3.17 96.36 0.81 2.83 4.35 25.27 66.01 0.08 3.52 0.00 0.60 0.16 40 R E E 67.58 12.22 18.83 31.81 122.91 121.04 -98.64 143.01 26.36 73.59 0.05 21.91 3.64 0.39 0.01 0.05 0.00 73.07 0.94 41 V E E 9.97 20.93 18.82 40.15 127.71 -168.01 -124.45 142.41 1.86 98.14 0.00 1.65 0.06 0.00 0.00 0.00 0.00 98.23 0.05 42 T E E 17.13 16.15 25.88 42.26 121.93 -154.24 -112.89 134.41 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 43 V E E 2.99 25.34 22.17 47.78 123.02 -167.71 -119.54 132.02 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 44 I E E 23.41 15.66 27.90 43.95 116.06 -153.65 -104.31 124.86 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 45 V E E 1.92 26.52 20.83 48.16 122.83 -168.77 -117.42 134.85 0.35 99.65 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.01 46 R E E 70.97 12.25 26.88 39.22 127.85 -170.72 -122.47 144.18 3.61 96.39 0.00 2.98 0.30 0.01 0.00 0.00 0.00 96.64 0.07 47 G E E 12.10 12.10 22.42 36.05 143.51 82.52 154.28 -171.36 25.43 74.56 0.01 10.96 14.61 0.26 0.00 0.01 0.00 73.91 0.25 48 D C C 69.96 5.25 24.59 30.09 116.33 -39.11 -73.07 145.75 71.85 28.10 0.05 68.49 3.97 0.07 0.02 0.03 0.00 25.57 1.86 49 V H H 50.46 17.47 14.72 31.85 91.57 -115.75 -58.62 -38.77 1.37 0.00 98.63 0.14 0.18 0.86 98.57 0.25 0.00 0.00 0.00 50 S H H 73.87 2.31 23.94 25.70 91.27 54.34 -63.71 -39.72 0.51 0.00 99.49 0.03 0.03 0.37 99.31 0.25 0.00 0.00 0.00 51 E H H 69.62 10.55 22.04 32.65 92.12 47.85 -67.68 -38.71 0.18 0.00 99.82 0.02 0.01 0.11 99.62 0.24 0.00 0.00 0.00 52 V H H 2.16 27.34 15.67 43.81 91.32 51.00 -63.42 -43.65 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 53 Q H H 85.52 10.26 25.55 35.78 91.29 50.38 -62.92 -41.85 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 54 A H H 51.27 3.76 28.02 31.84 91.21 49.89 -63.76 -42.28 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 55 S H H 4.32 22.88 21.92 44.42 91.76 50.27 -64.51 -42.78 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 56 V H H 6.43 24.68 23.14 47.20 91.63 50.01 -63.38 -43.06 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 57 S H H 58.18 4.73 29.14 34.63 91.42 50.66 -63.09 -42.27 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 58 A H H 28.65 9.33 26.63 37.18 91.60 49.58 -64.39 -41.56 0.24 0.00 99.76 0.01 0.01 0.19 99.74 0.05 0.00 0.00 0.00 59 G H H 0.80 26.75 20.88 47.79 91.79 51.07 -63.51 -43.39 0.48 0.00 99.52 0.03 0.02 0.36 99.50 0.09 0.00 0.00 0.00 60 T H H 28.54 17.53 24.48 40.92 91.46 49.76 -63.35 -42.60 0.36 0.00 99.64 0.04 0.02 0.24 99.59 0.11 0.00 0.00 0.00 61 E H H 107.57 2.40 28.37 29.78 91.49 49.92 -63.63 -41.47 0.53 0.00 99.47 0.04 0.03 0.38 99.32 0.24 0.00 0.00 0.00 62 S H H 15.99 13.89 21.85 36.45 91.77 49.72 -64.90 -42.00 1.19 0.00 98.80 0.09 0.07 0.94 98.31 0.59 0.00 0.00 0.00 63 V H H 3.81 25.32 15.52 41.10 91.52 51.24 -63.86 -41.80 2.37 0.02 97.61 0.24 0.19 1.80 96.19 1.56 0.00 0.01 0.00 64 K H H 113.12 7.48 19.79 28.21 91.34 51.92 -64.13 -38.24 9.82 0.06 90.12 0.79 0.59 8.37 87.64 2.54 0.02 0.03 0.02 65 R H H 160.58 2.11 20.68 22.60 92.07 52.72 -68.72 -32.49 22.65 0.14 77.22 1.38 1.57 19.50 74.64 2.71 0.07 0.06 0.07 66 V C H 47.30 14.60 14.87 29.23 98.77 46.42 -85.43 -25.55 55.92 1.17 42.90 5.46 11.71 38.18 39.99 3.25 0.21 0.48 0.71 67 N C T 85.00 8.54 16.47 25.63 101.69 18.80 -106.42 14.92 82.53 0.81 16.66 11.17 13.78 57.00 13.64 3.48 0.02 0.40 0.52 68 G C T 49.64 3.99 18.58 22.87 98.75 -103.80 83.12 8.42 96.15 1.18 2.67 26.81 26.26 43.33 0.62 1.89 0.00 0.78 0.31 69 G C C 24.19 14.79 13.10 27.42 124.59 124.20 -88.48 171.25 88.05 11.18 0.77 55.41 25.87 6.38 0.10 0.83 0.00 10.73 0.68 70 Q E E 106.17 4.27 23.20 28.05 124.11 -115.56 -117.76 140.96 48.33 51.21 0.45 42.44 4.07 0.77 0.08 0.37 0.00 51.53 0.74 71 V E E 50.62 19.11 13.15 31.47 110.83 -122.89 -80.27 122.49 7.50 92.45 0.05 7.54 0.23 0.03 0.02 0.02 0.00 91.51 0.65 72 L E E 76.66 8.13 19.22 28.36 99.81 176.96 -92.59 -34.00 7.60 92.36 0.03 4.92 2.38 0.20 0.00 0.03 0.00 92.39 0.08 73 S E E 41.11 7.15 22.08 30.49 142.78 -5.38 -160.49 155.64 1.91 98.08 0.01 1.36 0.33 0.04 0.00 0.01 0.00 98.25 0.02 74 T E E 52.25 20.07 13.84 32.40 131.01 -164.23 -140.24 139.67 1.48 98.52 0.00 1.28 0.07 0.00 0.00 0.00 0.00 98.63 0.01 75 H E E 81.12 8.24 23.26 32.19 127.31 -173.65 -132.20 136.74 0.64 99.36 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 76 I E E 66.51 14.93 18.02 32.75 117.55 -150.74 -103.80 125.94 0.75 99.25 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.22 0.03 77 I E E 39.09 14.42 15.65 31.05 113.35 -164.07 -109.14 117.41 10.48 89.51 0.01 10.60 0.24 0.01 0.00 0.00 0.00 88.70 0.44 78 A C S 62.54 6.25 18.38 25.58 98.90 -161.10 -72.87 -33.30 81.35 18.62 0.03 22.59 56.89 0.62 0.00 0.03 0.00 19.58 0.28 79 R C S 154.76 3.25 19.97 23.45 110.77 10.39 -137.32 81.21 95.76 4.20 0.04 19.54 75.69 0.77 0.01 0.03 0.00 3.67 0.29 80 P C C 42.26 18.44 10.51 27.86 115.95 -143.23 -69.20 146.33 94.77 4.66 0.57 91.42 2.78 1.04 0.14 0.39 0.00 2.93 1.31 81 H C C 76.03 8.50 14.47 24.38 116.15 -115.62 -78.24 147.60 96.02 2.13 1.86 91.65 2.79 1.64 0.61 1.03 0.00 0.76 1.52 82 E C T 144.89 2.58 15.13 18.96 93.98 -115.49 -63.73 -28.20 66.04 0.43 33.53 4.64 7.33 53.31 9.02 25.11 0.02 0.22 0.35 83 N C T 96.23 4.23 14.91 20.29 94.05 57.11 -79.97 -4.81 65.88 0.24 33.88 6.99 4.94 52.91 12.19 22.62 0.01 0.12 0.22 84 L H G 29.17 17.84 10.56 28.04 94.33 83.34 -72.44 -22.93 25.22 0.52 74.26 11.65 3.97 9.29 24.83 49.77 0.00 0.30 0.17 85 E H G 92.54 10.70 13.79 25.13 92.66 74.83 -65.10 -26.65 18.98 0.51 80.51 4.62 2.47 10.88 26.72 54.84 0.01 0.33 0.14 86 Y H G 160.25 2.51 16.81 19.71 93.01 60.34 -76.49 -15.94 23.43 0.67 75.90 3.92 3.07 15.26 24.39 52.70 0.03 0.42 0.21 87 V H G 68.20 9.94 14.35 24.89 98.96 51.76 -90.49 -13.81 39.85 1.63 58.52 7.08 8.14 23.35 24.84 34.66 0.21 0.91 0.82 88 L C S 47.89 16.07 10.89 26.69 116.64 79.84 -98.25 129.29 95.91 2.03 2.06 22.01 72.26 1.96 1.31 0.52 0.00 0.82 1.11 89 P C C 81.00 5.34 16.87 23.18 110.07 -121.12 -71.33 132.97 93.78 3.29 2.93 83.72 6.58 3.58 1.22 1.52 0.00 1.98 1.40 90 I C C 76.31 13.43 11.19 24.50 115.78 -158.08 -99.85 131.81 88.42 6.34 5.23 70.35 11.74 5.94 2.18 2.99 0.00 3.49 3.30 91 R C C 145.39 4.12 16.11 21.51 117.38 -153.40 -100.40 135.12 89.94 5.75 4.31 67.70 16.04 6.23 1.86 2.37 0.00 3.55 2.24 92 Y C C 109.83 11.95 10.73 22.91 115.68 -138.22 -95.60 129.96 91.39 4.14 4.47 76.03 12.28 3.11 2.62 1.82 0.00 2.37 1.78 93 T C C 56.03 5.83 12.76 20.38 124.52 -164.41 -109.55 165.27 89.64 1.21 9.15 79.29 7.96 1.81 8.93 0.95 0.00 0.48 0.58 94 E H H 146.09 1.49 13.97 15.71 92.29 -105.86 -60.22 -36.14 11.89 0.13 87.98 4.55 2.95 5.02 84.81 2.55 0.01 0.06 0.05 95 E H H 111.45 3.05 15.00 18.77 92.01 53.62 -65.57 -38.80 8.18 0.13 91.70 3.34 1.37 3.82 88.69 2.65 0.01 0.08 0.04 96 V H H 25.26 14.22 11.24 26.31 92.43 49.94 -66.47 -40.20 4.30 0.11 95.60 2.34 0.67 1.63 92.74 2.51 0.00 0.08 0.02 97 E H H 87.09 6.25 15.30 22.97 91.63 53.28 -63.30 -40.75 2.88 0.08 97.03 1.46 0.42 1.17 95.33 1.54 0.00 0.06 0.01 98 Q H H 105.79 1.75 17.73 18.50 92.18 50.39 -65.03 -40.27 3.79 0.12 96.09 1.53 0.49 1.86 94.32 1.67 0.01 0.09 0.02 99 F H H 73.89 8.16 14.54 24.14 92.42 50.27 -65.69 -40.35 4.79 0.15 95.06 1.83 0.64 2.44 92.98 1.96 0.01 0.11 0.03 100 R H H 78.82 12.40 12.76 25.54 92.78 51.53 -66.58 -37.65 7.28 0.27 92.45 3.01 1.06 3.57 89.98 2.11 0.02 0.17 0.07 101 E H H 129.50 2.35 15.25 18.24 93.42 54.16 -67.66 -32.68 13.32 0.24 86.44 3.10 1.66 8.68 83.78 2.51 0.04 0.13 0.09 102 G H H 52.28 2.53 14.48 17.37 95.33 51.01 -73.45 -22.85 29.32 0.31 70.37 6.05 3.76 19.68 67.81 2.36 0.05 0.14 0.16 103 V C H 71.43 9.29 10.62 20.75 100.56 59.78 -85.70 -8.39 53.17 1.14 45.69 15.38 11.77 27.24 41.84 2.63 0.08 0.43 0.63 104 G C C 50.72 3.62 14.28 18.93 109.57 -112.14 80.24 42.60 86.11 1.29 12.60 38.53 19.16 28.47 10.29 2.30 0.00 0.52 0.71 105 T C C 84.12 5.18 11.93 18.79 117.38 -22.93 -95.44 137.29 97.90 1.24 0.86 61.41 35.24 1.41 0.57 0.28 0.00 0.54 0.54 106 P C C 83.99 6.26 11.29 19.19 113.18 -108.18 -69.03 146.89 96.08 1.97 1.95 84.28 8.92 2.99 0.92 0.94 0.00 1.12 0.82 107 R C C 147.24 4.92 10.96 17.73 114.18 -125.62 -89.36 136.25 89.46 6.66 3.88 77.92 7.85 3.53 1.91 1.87 0.00 3.74 3.18 108 N C C 102.14 4.72 10.36 16.86 111.56 -123.22 -85.25 127.61 86.90 7.86 5.23 74.27 8.00 4.54 2.20 2.93 0.00 5.30 2.77 109 I C C 113.31 4.76 8.67 15.12 105.71 -162.99 -87.46 23.29 82.27 6.63 11.10 51.94 15.79 14.97 3.19 7.73 0.00 4.51 1.87 110 T C C 100.57 2.45 8.55 12.62 108.96 92.84 -91.37 111.71 82.27 6.83 10.90 48.83 15.65 18.25 2.78 7.92 0.00 4.72 1.85 111 R C C 171.31 2.26 7.77 11.78 108.93 -145.85 -88.62 106.05 89.11 4.18 6.71 80.54 2.18 7.54 1.85 3.64 0.00 3.04 1.20 112 Q C C 131.98 2.75 9.71 14.29 111.10 -151.52 -91.72 119.08 99.92 0.07 0.02 99.83 0.08 0.05 0.00 0.00 0.00 0.03 0.01