# 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 46.49 16.28 20.62 36.25 123.36 -165.59 -114.75 135.34 97.21 2.79 0.00 97.24 0.09 0.00 0.00 0.00 0.00 2.64 0.02 1 A E E 15.00 17.49 20.11 37.92 123.37 -163.74 -117.05 135.92 4.96 95.04 0.00 5.02 0.05 0.00 0.00 0.00 0.00 94.83 0.10 2 I E E 36.88 14.34 23.19 37.96 117.86 -157.79 -110.12 125.68 0.55 99.45 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.00 3 I E E 8.05 23.01 20.79 43.93 120.67 -167.59 -114.49 129.30 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 4 E E E 41.06 14.84 26.74 41.40 119.12 -162.51 -108.93 128.37 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 5 T E E 5.06 24.02 21.77 45.48 134.77 178.45 -136.98 153.10 0.59 99.41 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 6 T E E 30.65 14.65 26.44 40.92 119.48 -145.64 -108.21 132.66 9.79 90.21 0.00 8.40 0.82 0.02 0.00 0.00 0.00 90.57 0.19 7 T C C 8.07 21.86 16.68 38.70 132.72 174.88 -133.95 151.02 68.43 31.56 0.01 67.08 1.23 0.04 0.00 0.01 0.00 30.92 0.72 8 P C S 76.65 6.47 21.59 28.81 93.28 -128.01 -70.14 -26.39 99.70 0.29 0.02 7.83 91.35 0.60 0.00 0.01 0.00 0.18 0.03 9 T C S 60.87 3.63 23.53 26.74 138.93 8.54 -147.09 162.15 99.10 0.31 0.59 34.50 63.23 1.37 0.52 0.07 0.00 0.06 0.24 10 E H H 91.07 13.98 14.02 27.80 91.65 -110.25 -60.06 -37.22 1.07 0.00 98.93 0.10 0.16 0.69 98.76 0.30 0.00 0.00 0.00 11 E H H 135.26 1.39 22.50 22.30 91.47 53.74 -63.57 -41.11 0.62 0.00 99.38 0.05 0.04 0.45 99.13 0.33 0.00 0.00 0.00 12 E H H 67.10 8.97 20.56 30.23 92.17 48.05 -65.82 -40.38 0.25 0.00 99.75 0.02 0.02 0.16 99.48 0.31 0.00 0.00 0.00 13 A H H 1.67 26.15 14.13 40.99 90.88 51.57 -62.55 -43.32 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 14 K H H 92.03 10.87 23.92 34.47 91.42 50.77 -62.96 -41.60 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 15 A H H 51.57 3.34 27.31 30.21 91.24 50.16 -63.19 -42.64 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 16 I H H 10.06 20.58 23.11 43.24 91.64 48.97 -64.10 -43.64 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 17 A H H 1.31 26.81 19.63 46.90 91.13 51.14 -62.72 -42.62 0.16 0.00 99.84 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 18 K H H 102.63 6.28 26.09 32.93 91.45 51.66 -63.19 -41.77 0.27 0.00 99.73 0.03 0.01 0.14 99.82 0.01 0.00 0.00 0.00 19 K H H 77.11 6.53 25.07 32.10 91.55 49.87 -64.23 -41.97 0.19 0.00 99.81 0.02 0.01 0.10 99.85 0.01 0.00 0.00 0.00 20 L H H 3.18 24.50 17.16 42.17 91.58 49.55 -63.92 -43.13 0.26 0.00 99.74 0.03 0.02 0.15 99.77 0.04 0.00 0.00 0.00 21 L H H 33.04 17.58 17.84 34.79 92.44 48.96 -64.54 -42.31 0.45 0.00 99.55 0.03 0.02 0.32 99.50 0.13 0.00 0.00 0.00 22 E H H 134.79 2.04 21.23 22.98 90.97 51.80 -64.18 -33.98 2.83 0.00 97.17 0.04 0.06 2.91 96.85 0.14 0.00 0.00 0.00 23 N C T 76.32 7.88 16.80 25.89 92.84 50.38 -87.85 1.59 88.96 0.01 11.03 0.11 0.69 87.78 11.18 0.23 0.00 0.00 0.01 24 R C T 147.95 6.63 20.76 28.48 93.32 -119.15 62.87 29.64 99.62 0.00 0.38 0.14 1.19 98.46 0.19 0.03 0.00 0.00 0.00 25 L C S 20.11 19.30 19.14 38.52 95.29 127.12 -86.05 -19.86 97.11 2.82 0.07 23.55 69.90 4.14 0.02 0.04 0.00 1.24 1.10 26 I C C 5.36 24.64 16.28 41.35 132.68 30.19 -134.90 147.08 56.84 43.01 0.15 47.70 9.38 0.20 0.02 0.13 0.00 40.70 1.85 27 A C S 43.16 9.89 24.44 35.22 96.95 -156.64 -83.42 -32.84 67.72 31.72 0.57 9.85 55.50 1.39 0.01 0.59 0.00 32.44 0.22 28 E E E 58.07 9.27 26.25 36.55 142.14 -0.37 -159.21 152.00 5.53 94.04 0.43 3.39 1.41 0.82 0.01 0.48 0.00 93.79 0.09 29 A E E 10.65 25.15 14.35 39.26 130.75 -168.60 -136.98 141.83 1.72 98.28 0.00 1.71 0.09 0.00 0.00 0.00 0.00 98.17 0.02 30 I E E 69.14 7.91 26.10 34.41 119.76 -160.63 -117.69 129.12 0.44 99.56 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.01 31 I E E 49.58 18.50 16.07 34.07 116.37 -152.77 -104.93 125.24 0.93 99.07 0.00 0.93 0.03 0.00 0.00 0.00 0.00 98.95 0.09 32 T E E 46.88 10.14 16.51 28.20 118.06 -167.65 -111.30 127.35 22.54 77.45 0.01 21.07 0.79 0.03 0.00 0.01 0.00 77.87 0.22 33 P E E 83.41 4.26 18.63 23.27 114.40 -111.29 -69.39 152.39 47.55 52.33 0.12 20.66 21.02 3.62 0.01 0.13 0.00 54.35 0.20 34 A C E 68.33 5.55 16.16 22.60 109.10 7.03 -68.58 128.35 51.94 47.87 0.18 32.23 13.06 3.31 0.01 0.20 0.00 50.96 0.21 35 L E E 44.13 15.33 11.10 26.52 122.28 -167.26 -112.72 139.27 16.10 83.87 0.02 15.19 0.57 0.04 0.00 0.01 0.00 83.91 0.27 36 T E E 78.11 5.84 17.45 24.71 121.52 -157.02 -115.75 136.37 2.23 97.77 0.00 2.01 0.08 0.00 0.00 0.00 0.00 97.84 0.06 37 K E E 74.47 11.42 13.73 26.19 131.04 -159.83 -134.54 151.24 0.99 99.01 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.05 0.01 38 I E E 86.89 7.23 14.26 23.18 120.42 -147.91 -114.28 131.27 0.77 99.23 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.24 0.01 39 Y E E 91.11 7.18 13.04 22.18 131.63 173.43 -134.88 157.48 0.70 99.30 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.31 0.01 40 R E E 148.04 3.74 11.38 17.16 115.77 -126.67 -100.11 127.16 2.17 97.83 0.01 1.99 0.11 0.01 0.00 0.00 0.00 97.82 0.06 41 E E E 90.93 6.52 8.00 16.43 121.15 174.71 -132.28 121.81 11.56 88.21 0.23 7.89 2.68 1.09 0.03 0.22 0.00 87.69 0.41 42 N C T 145.58 0.47 10.70 10.33 93.41 -15.33 52.32 41.73 98.82 0.40 0.78 1.06 8.57 89.08 0.02 0.92 0.00 0.30 0.06 43 G C T 67.10 0.53 10.04 10.04 95.60 -49.21 79.45 2.38 99.17 0.11 0.72 1.12 9.17 88.75 0.02 0.83 0.00 0.07 0.02 44 E E E 126.20 1.62 10.80 13.72 125.20 102.08 -116.01 146.51 12.94 86.98 0.08 6.68 5.83 1.25 0.01 0.08 0.00 85.65 0.50 45 I E E 110.22 5.14 8.89 16.14 113.89 -120.46 -83.98 129.55 2.47 97.52 0.00 2.17 0.10 0.00 0.00 0.00 0.00 97.67 0.05 46 K E E 91.40 5.74 12.36 20.21 127.05 -175.42 -125.93 146.33 1.99 98.01 0.00 1.76 0.07 0.00 0.00 0.00 0.00 98.12 0.04 47 S E E 71.66 6.05 12.18 20.68 124.01 -154.70 -119.97 140.03 3.90 96.10 0.00 3.35 0.20 0.01 0.00 0.00 0.00 96.39 0.04 48 E E E 76.35 7.93 14.09 23.80 132.98 175.29 -139.24 154.72 5.44 94.56 0.00 4.86 0.19 0.01 0.00 0.00 0.00 94.92 0.02 49 T E E 76.99 6.55 16.91 24.67 116.50 -118.80 -89.49 136.68 4.11 95.89 0.00 3.72 0.10 0.00 0.00 0.00 0.00 96.16 0.02 50 V E E 32.59 14.49 15.49 30.80 131.35 176.36 -130.97 150.53 1.00 99.00 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.08 0.01 51 T E E 18.87 15.39 18.27 35.01 120.34 -144.95 -113.27 132.59 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 52 R E E 65.98 12.12 23.03 35.55 116.55 -145.81 -98.32 128.79 0.57 99.42 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.01 53 V E E 5.35 23.77 17.98 42.30 122.15 -165.50 -116.84 132.26 2.14 97.86 0.00 2.00 0.04 0.00 0.00 0.00 0.00 97.94 0.01 54 T E E 28.76 11.78 26.28 38.97 117.69 -157.86 -108.07 127.75 0.57 99.43 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.45 0.01 55 L E E 4.35 25.08 19.71 45.11 126.18 -171.13 -122.40 139.11 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 56 Y E E 58.29 12.05 27.06 39.78 119.22 -154.59 -108.21 130.76 1.61 98.39 0.00 1.37 0.15 0.00 0.00 0.00 0.00 98.46 0.02 57 T E E 6.12 22.82 17.15 40.19 139.30 162.99 -144.77 164.40 10.09 89.90 0.01 9.72 0.40 0.01 0.00 0.00 0.00 89.50 0.36 58 E E E 61.38 7.87 22.19 30.70 119.28 -102.81 -80.62 154.53 43.94 56.00 0.06 43.42 0.99 0.06 0.02 0.03 0.00 53.47 2.02 59 E H G 111.96 9.15 15.39 25.60 91.13 -111.34 -58.73 -35.27 19.20 0.11 80.69 0.67 1.77 16.43 5.86 75.16 0.00 0.07 0.03 60 E H G 147.19 1.13 19.93 19.58 90.39 59.84 -67.79 -23.76 19.31 0.03 80.66 0.30 0.87 18.52 5.49 74.79 0.00 0.01 0.01 61 N H G 35.37 15.44 13.60 29.55 97.58 44.01 -101.73 -2.05 14.48 0.04 85.49 1.01 1.01 11.55 9.65 76.74 0.00 0.02 0.01 62 V H H 23.15 20.82 12.67 32.91 92.32 94.28 -58.93 -44.51 1.42 0.00 98.58 0.44 0.14 0.58 98.43 0.40 0.00 0.00 0.00 63 P H H 91.40 1.99 22.42 23.30 91.61 51.16 -63.40 -39.98 0.39 0.00 99.61 0.04 0.02 0.24 99.44 0.26 0.00 0.00 0.00 64 K H H 106.40 3.74 22.34 25.89 91.68 49.72 -65.71 -40.35 0.15 0.00 99.85 0.02 0.01 0.09 99.69 0.20 0.00 0.00 0.00 65 A H H 2.37 24.80 15.03 40.25 91.58 50.46 -64.17 -42.83 0.13 0.00 99.87 0.02 0.00 0.06 99.85 0.07 0.00 0.00 0.00 66 V H H 39.96 15.49 19.63 34.68 91.56 51.20 -62.62 -42.40 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 67 T H H 81.14 1.69 24.11 23.38 91.66 50.39 -63.84 -42.04 0.27 0.00 99.73 0.01 0.01 0.23 99.74 0.02 0.00 0.00 0.00 68 Y H H 63.29 10.35 19.91 31.17 91.91 49.11 -64.82 -42.12 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 69 I H H 4.05 25.46 13.66 39.36 91.43 49.76 -63.97 -43.08 0.11 0.00 99.88 0.01 0.00 0.08 99.80 0.10 0.00 0.00 0.00 70 K H H 105.42 9.35 17.69 27.65 91.27 51.57 -63.40 -36.11 0.51 0.00 99.49 0.02 0.02 0.44 99.16 0.36 0.00 0.00 0.00 71 A H H 82.69 1.41 20.19 20.14 91.66 54.65 -69.08 -28.61 5.23 0.00 94.76 0.07 0.12 5.40 93.99 0.43 0.00 0.00 0.00 72 I H H 68.67 10.72 15.23 26.66 98.87 39.61 -98.48 -14.50 15.67 0.03 84.30 0.53 1.31 13.41 84.26 0.43 0.02 0.01 0.03 73 H C C 34.01 20.53 8.59 27.43 115.38 93.55 -93.29 126.66 99.72 0.17 0.10 78.27 20.92 0.53 0.06 0.03 0.00 0.04 0.15 74 P C S 103.39 2.41 18.72 21.34 94.03 -157.53 -78.03 -11.28 99.68 0.22 0.09 47.90 48.22 3.55 0.02 0.08 0.00 0.08 0.16 75 D C S 48.38 11.53 10.48 23.20 121.88 89.41 -91.60 145.53 99.09 0.71 0.20 15.85 79.26 3.94 0.04 0.12 0.00 0.21 0.59 76 P C S 111.24 2.41 17.90 20.69 94.69 -122.62 -70.61 -19.18 99.67 0.26 0.07 7.59 89.61 2.53 0.01 0.05 0.00 0.11 0.10 77 I C S 80.20 9.99 16.02 26.77 113.41 44.87 -114.78 101.71 99.02 0.95 0.03 22.09 76.73 0.37 0.00 0.02 0.00 0.29 0.49 78 P C C 23.40 19.51 13.56 32.84 117.97 -146.53 -71.74 150.83 99.59 0.40 0.01 96.05 3.48 0.14 0.00 0.01 0.00 0.26 0.06 79 P C C 67.29 6.81 24.00 31.03 113.18 -108.41 -72.07 140.87 85.72 14.25 0.03 78.21 7.15 0.24 0.00 0.03 0.00 13.79 0.58 80 I E E 39.65 22.25 13.96 35.17 119.43 -149.96 -106.92 128.28 11.57 88.42 0.01 11.26 0.41 0.02 0.00 0.01 0.00 87.02 1.29 81 I E E 62.15 9.42 22.41 32.53 121.14 -166.89 -115.26 131.74 2.35 97.65 0.00 2.39 0.06 0.00 0.00 0.00 0.00 97.40 0.15 82 V E E 60.27 16.83 16.25 32.35 122.47 -160.90 -113.92 132.54 3.57 96.42 0.00 3.38 0.15 0.01 0.00 0.00 0.00 96.32 0.14 83 I E E 50.95 11.68 17.56 30.50 124.57 -173.16 -125.31 134.64 16.85 83.13 0.02 15.56 0.97 0.04 0.01 0.01 0.00 82.92 0.49 84 T C C 75.33 5.35 21.75 27.38 113.82 -114.85 -71.98 139.45 60.08 39.74 0.17 56.01 2.31 0.23 0.03 0.12 0.00 40.83 0.46 85 P C C 34.94 20.31 9.80 28.59 103.06 -119.87 -68.77 72.87 64.87 5.56 29.57 45.99 7.41 9.85 2.73 28.86 0.00 4.22 0.94 86 T C T 103.50 2.16 18.39 20.61 96.76 123.36 -81.06 -22.07 63.64 5.17 31.19 15.91 15.10 33.58 2.20 28.48 0.02 3.40 1.31 87 D C T 106.41 2.52 18.25 20.93 106.64 37.37 -107.96 20.58 62.74 5.96 31.30 17.08 14.66 31.94 2.00 29.00 0.02 4.06 1.24 88 A C C 24.80 20.93 7.92 26.38 124.75 123.39 -90.29 157.14 90.78 7.15 2.07 57.01 31.39 2.26 0.73 1.24 0.00 2.59 4.78 89 N C C 63.79 7.13 15.52 24.30 112.17 -100.74 -69.07 138.99 99.48 0.34 0.17 97.42 2.07 0.10 0.12 0.02 0.00 0.11 0.16 90 P H H 103.17 2.34 15.67 19.00 91.69 -122.52 -58.66 -36.36 2.92 0.00 97.08 0.28 0.28 2.14 96.61 0.68 0.00 0.00 0.00 91 A H H 65.67 2.92 17.52 20.69 91.75 53.93 -64.42 -39.63 1.60 0.00 98.39 0.13 0.11 1.30 97.73 0.73 0.00 0.00 0.00 92 Y H H 35.99 17.01 13.78 30.87 92.55 48.09 -66.50 -41.17 0.53 0.00 99.47 0.09 0.04 0.33 98.89 0.64 0.00 0.00 0.00 93 K H H 68.00 12.34 15.91 28.72 91.52 52.22 -62.67 -41.46 0.19 0.00 99.81 0.03 0.01 0.09 99.73 0.13 0.00 0.00 0.00 94 G H H 39.79 1.89 20.80 21.11 91.61 50.82 -63.45 -41.19 0.32 0.00 99.68 0.04 0.02 0.19 99.64 0.11 0.00 0.00 0.00 95 W H H 73.49 8.29 17.35 27.22 91.91 50.13 -63.97 -42.63 0.46 0.00 99.54 0.06 0.03 0.29 99.46 0.17 0.00 0.00 0.00 96 V H H 15.79 19.17 13.09 32.33 91.96 49.61 -64.20 -42.20 0.84 0.00 99.16 0.13 0.06 0.53 99.00 0.28 0.00 0.00 0.00 97 A H H 59.56 6.23 15.77 23.25 92.01 51.20 -65.03 -36.65 4.16 0.01 95.83 0.51 0.29 3.07 95.40 0.70 0.00 0.00 0.01 98 F H H 158.40 1.30 16.66 17.13 93.71 49.14 -71.88 -29.47 19.83 0.04 80.13 1.58 1.29 16.23 79.76 1.09 0.01 0.01 0.03 99 E H H 90.90 8.79 12.77 22.50 99.43 44.50 -89.97 -9.63 45.29 0.16 54.55 14.65 1.51 26.59 56.09 1.00 0.00 0.05 0.11 100 T C C 42.85 16.40 11.33 26.78 107.38 78.88 -86.88 66.06 99.89 0.05 0.06 99.75 0.09 0.08 0.05 0.00 0.00 0.02 0.01