# 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 110.12 7.20 14.27 22.38 114.77 -150.24 -91.37 130.51 99.92 0.07 0.01 99.78 0.15 0.03 0.00 0.00 0.00 0.02 0.01 1 A C C 55.50 7.82 10.84 20.06 118.08 -112.76 -80.14 147.53 98.66 0.35 0.98 97.48 0.71 0.67 0.71 0.12 0.00 0.12 0.20 2 P C C 85.40 4.94 12.27 18.87 112.26 -101.80 -67.27 147.35 93.40 0.73 5.88 81.20 6.61 5.87 3.68 1.86 0.00 0.35 0.43 3 V C C 94.21 6.51 10.69 18.74 111.72 -125.55 -85.87 130.85 82.80 1.88 15.31 64.43 10.12 7.80 11.13 4.52 0.00 0.88 1.11 4 K C C 128.16 5.06 12.58 19.25 111.60 -141.01 -88.48 128.75 74.86 2.04 23.11 51.42 13.73 9.08 18.21 5.56 0.00 0.94 1.05 5 S C C 61.39 6.71 13.60 21.43 111.54 -134.53 -90.91 128.92 64.49 1.44 34.07 42.94 11.70 9.50 28.89 5.61 0.01 0.65 0.70 6 Q H H 97.82 10.01 13.71 24.03 99.45 -127.04 -75.55 -17.93 42.62 0.78 56.61 25.18 9.77 8.97 50.84 4.54 0.01 0.34 0.35 7 E H H 109.14 5.14 17.21 23.08 100.06 74.43 -73.63 -30.61 34.48 0.53 65.00 20.05 7.48 7.58 61.36 3.08 0.01 0.22 0.23 8 S H H 42.19 7.84 18.75 27.46 99.36 50.99 -72.54 -38.45 31.75 0.59 67.66 21.21 5.21 5.98 64.85 2.26 0.00 0.24 0.25 9 I H H 13.96 22.55 15.79 37.63 93.39 50.33 -64.18 -41.70 6.33 0.09 93.58 3.33 1.14 2.12 92.61 0.72 0.01 0.03 0.04 10 N H H 58.22 14.09 19.83 33.33 91.78 52.26 -62.92 -41.05 2.53 0.02 97.44 1.11 0.37 1.06 97.05 0.40 0.00 0.01 0.01 11 Q H H 107.68 2.42 24.41 25.69 91.89 49.33 -65.25 -41.00 1.61 0.01 98.37 0.57 0.20 0.78 98.11 0.32 0.00 0.00 0.00 12 K H H 58.67 13.63 21.32 34.60 92.00 49.23 -65.56 -41.82 0.86 0.01 99.13 0.25 0.09 0.45 99.04 0.16 0.00 0.00 0.00 13 L H H 3.68 25.81 17.10 43.14 91.36 50.29 -63.84 -42.48 0.42 0.00 99.58 0.11 0.04 0.21 99.57 0.07 0.00 0.00 0.00 14 A H H 43.55 8.18 22.54 31.29 91.27 52.37 -62.23 -41.11 0.36 0.00 99.64 0.08 0.02 0.19 99.64 0.06 0.00 0.00 0.00 15 L H H 74.98 4.08 23.79 27.62 91.59 50.56 -64.27 -41.85 0.36 0.00 99.64 0.06 0.02 0.22 99.61 0.08 0.00 0.00 0.00 16 V H H 9.78 19.71 16.65 36.78 92.01 49.75 -64.12 -42.80 0.58 0.03 99.39 0.13 0.05 0.35 99.29 0.16 0.00 0.01 0.00 17 I H H 46.00 17.66 15.99 32.83 92.04 49.60 -64.49 -40.95 1.35 0.05 98.61 0.27 0.10 0.88 98.23 0.49 0.00 0.03 0.01 18 K H H 154.85 1.55 19.92 20.93 91.41 51.58 -66.31 -31.23 5.94 0.04 94.03 0.36 0.30 5.19 93.59 0.53 0.01 0.01 0.01 19 S H H 64.81 4.97 17.17 22.97 93.54 47.75 -84.18 -10.48 48.24 0.06 51.69 0.75 2.01 44.15 52.16 0.84 0.02 0.02 0.04 20 G C T 32.75 10.95 16.32 27.61 101.53 -110.65 82.55 10.38 99.49 0.25 0.26 4.57 17.72 77.27 0.08 0.12 0.00 0.21 0.04 21 K C C 100.06 9.34 21.39 30.81 102.86 112.18 -94.28 18.03 82.41 17.36 0.23 56.53 23.62 1.27 0.03 0.23 0.00 17.88 0.44 22 Y E E 36.38 21.64 17.07 37.92 127.83 61.79 -123.06 139.51 14.50 85.27 0.23 12.14 2.40 0.29 0.10 0.15 0.00 83.53 1.39 23 T E E 27.56 15.30 23.65 38.94 124.28 -166.45 -119.98 137.38 7.30 92.65 0.06 7.46 0.22 0.03 0.03 0.02 0.00 90.84 1.40 24 L E E 48.15 17.44 22.59 38.78 123.71 -165.09 -123.60 135.81 22.51 77.46 0.04 19.98 2.00 0.09 0.02 0.02 0.00 76.96 0.94 25 G C S 16.18 10.84 25.48 37.36 125.73 20.50 96.72 163.95 93.76 2.39 3.84 13.38 77.32 2.67 4.52 0.29 0.00 1.04 0.77 26 Y H H 50.73 20.99 17.07 37.04 91.94 -86.28 -60.97 -39.56 2.73 0.01 97.26 0.23 0.65 1.67 97.18 0.26 0.00 0.00 0.00 27 K H H 132.32 3.61 23.81 28.07 91.44 51.49 -63.27 -41.50 1.18 0.00 98.82 0.08 0.11 0.89 98.67 0.25 0.00 0.00 0.00 28 S H H 42.55 7.46 23.14 31.09 91.98 48.12 -65.86 -40.38 0.48 0.00 99.52 0.05 0.04 0.33 99.33 0.25 0.00 0.00 0.00 29 T H H 1.89 26.38 16.96 43.88 91.30 50.55 -64.00 -43.77 0.26 0.00 99.74 0.03 0.02 0.16 99.72 0.08 0.00 0.00 0.00 30 V H H 22.26 18.37 21.96 39.71 91.37 49.40 -63.34 -42.79 0.16 0.00 99.84 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 31 K H H 111.22 2.56 26.63 28.08 91.55 49.98 -63.59 -41.90 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 32 S H H 14.10 13.33 19.97 34.56 91.43 49.96 -63.93 -42.17 0.18 0.00 99.82 0.01 0.01 0.12 99.79 0.07 0.00 0.00 0.00 33 L H H 4.45 25.49 14.89 40.56 91.37 50.04 -63.85 -42.52 0.32 0.00 99.67 0.02 0.01 0.26 99.49 0.22 0.00 0.00 0.00 34 R H H 127.79 8.48 19.74 28.97 91.23 51.13 -64.54 -34.11 2.44 0.00 97.56 0.03 0.05 2.45 97.22 0.25 0.00 0.00 0.00 35 Q C T 118.71 2.25 20.65 22.10 92.02 52.05 -84.09 -6.63 70.18 0.01 29.81 0.18 0.82 68.96 29.51 0.51 0.00 0.00 0.01 36 G C T 36.65 11.97 15.10 27.25 95.12 -113.66 78.61 12.73 99.75 0.00 0.24 0.61 2.05 97.21 0.10 0.04 0.00 0.00 0.00 37 K C S 115.25 5.24 22.09 28.05 95.23 123.18 -83.99 -16.92 99.65 0.26 0.09 46.56 51.76 1.36 0.02 0.06 0.00 0.10 0.14 38 S C C 5.88 24.48 13.49 37.77 121.69 72.89 -102.47 140.66 94.97 4.95 0.08 84.47 9.43 0.75 0.01 0.11 0.00 4.96 0.26 39 K C S 87.84 10.47 26.59 37.90 100.39 -170.00 -97.71 -24.13 93.26 6.73 0.01 13.51 79.43 0.27 0.00 0.01 0.00 6.69 0.09 40 L E E 9.65 21.76 26.29 47.32 134.22 20.58 -142.59 142.42 2.31 97.68 0.01 1.61 0.63 0.03 0.00 0.00 0.00 97.67 0.05 41 I E E 1.18 27.10 27.42 54.37 120.50 -162.78 -117.79 127.43 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 42 I E E 1.72 26.07 29.27 54.87 116.79 -160.68 -108.55 124.41 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 43 I E E 4.19 24.73 26.90 50.58 128.58 -175.00 -124.50 146.41 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.01 44 A E E 4.91 21.98 21.29 43.64 114.38 -114.95 -73.46 142.11 16.93 83.06 0.01 16.17 0.43 0.03 0.00 0.01 0.00 83.16 0.20 45 A C T 45.59 11.80 21.60 33.89 92.85 -124.20 -64.55 -27.65 91.31 8.30 0.39 3.92 25.43 62.40 0.02 0.41 0.00 7.45 0.37 46 N C T 97.81 4.86 22.50 28.22 95.05 58.28 -91.04 7.82 98.09 1.64 0.26 7.80 33.44 56.90 0.01 0.32 0.00 1.35 0.17 47 T C S 12.05 23.20 9.04 31.20 118.11 118.61 -75.89 143.13 98.73 1.14 0.12 47.88 50.79 0.22 0.06 0.04 0.00 0.36 0.64 48 P C C 63.10 4.20 18.70 23.52 114.50 -102.36 -63.47 148.45 99.71 0.10 0.19 99.20 0.48 0.10 0.12 0.01 0.00 0.03 0.06 49 V H H 105.60 4.24 13.77 19.99 91.76 -112.81 -57.70 -37.82 7.19 0.02 92.79 1.26 1.13 4.60 89.42 3.56 0.01 0.01 0.01 50 L H H 115.05 1.71 17.58 18.79 91.90 54.59 -64.25 -38.79 5.24 0.02 94.74 0.81 0.61 3.62 90.81 4.14 0.01 0.01 0.01 51 R H H 67.84 13.91 15.80 29.74 92.47 48.14 -68.55 -36.93 3.52 0.04 96.45 1.06 0.43 1.87 91.94 4.67 0.00 0.02 0.01 52 K H H 57.44 17.37 15.55 32.07 91.58 54.14 -61.89 -42.20 2.43 0.01 97.56 0.67 0.29 1.24 96.50 1.30 0.00 0.00 0.00 53 S H H 60.17 2.62 23.21 24.67 91.75 51.28 -63.89 -41.35 3.67 0.01 96.32 0.44 0.26 2.57 95.93 0.79 0.00 0.00 0.00 54 E H H 77.63 7.24 22.62 30.25 91.58 50.11 -64.54 -41.25 2.22 0.01 97.78 0.28 0.15 1.57 97.57 0.42 0.00 0.00 0.00 55 L H H 2.34 26.37 15.93 42.90 91.33 50.15 -64.23 -42.77 0.29 0.00 99.71 0.05 0.02 0.14 99.71 0.08 0.00 0.00 0.00 56 E H H 77.47 12.73 21.72 33.82 91.35 52.23 -62.22 -42.10 0.09 0.00 99.91 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 57 Y H H 128.96 2.06 25.05 25.16 91.61 49.84 -63.51 -42.56 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 58 Y H H 41.37 13.80 20.41 34.74 92.03 48.89 -64.75 -42.50 0.10 0.00 99.90 0.00 0.00 0.07 99.87 0.05 0.00 0.00 0.00 59 A H H 4.37 22.58 13.78 36.66 91.66 50.75 -63.45 -42.40 0.36 0.00 99.64 0.03 0.01 0.27 99.55 0.14 0.00 0.00 0.00 60 M H H 116.35 3.64 19.83 24.18 91.81 49.61 -64.48 -40.10 1.55 0.00 98.45 0.07 0.06 1.34 98.17 0.36 0.00 0.00 0.00 61 L H H 106.43 3.36 18.99 22.71 91.74 51.17 -66.53 -34.57 6.50 0.00 93.49 0.19 0.29 5.82 93.33 0.37 0.00 0.00 0.00 62 S C H 29.64 14.54 13.82 28.79 95.21 47.33 -88.27 -2.39 51.58 0.09 48.33 1.87 4.57 42.71 49.86 0.88 0.01 0.02 0.07 63 K C T 165.14 1.45 20.42 21.38 93.74 -123.96 59.01 37.45 99.62 0.05 0.33 11.30 5.01 83.42 0.15 0.08 0.00 0.02 0.01 64 T C C 18.13 21.04 11.42 31.83 124.83 143.51 -105.67 147.63 98.81 1.17 0.02 90.47 8.13 0.25 0.00 0.02 0.00 1.05 0.08 65 K C C 112.92 4.65 25.06 30.10 111.70 -108.02 -73.47 134.57 55.87 44.08 0.05 52.48 1.60 0.14 0.01 0.03 0.00 45.42 0.32 66 V E E 26.52 23.52 13.99 36.95 123.48 -159.22 -117.34 133.24 4.90 95.10 0.00 4.75 0.15 0.01 0.00 0.00 0.00 94.76 0.33 67 Y E E 62.81 12.51 24.03 36.65 122.25 -167.08 -116.22 132.89 0.60 99.40 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.39 0.04 68 Y E E 97.41 14.40 21.77 35.34 117.87 -150.30 -101.01 128.29 2.59 97.41 0.00 2.47 0.07 0.01 0.00 0.00 0.00 97.36 0.09 69 F E E 29.00 20.22 14.15 34.00 121.05 -164.28 -108.71 136.67 42.80 57.10 0.09 40.32 1.32 0.17 0.02 0.06 0.00 57.57 0.55 70 Q C C 133.03 2.93 21.81 24.74 103.84 -153.19 -93.15 29.11 84.00 15.55 0.45 45.22 29.91 8.11 0.06 0.42 0.00 15.70 0.58 71 G C S 26.69 9.58 19.05 29.13 132.91 50.59 134.24 -175.47 94.05 4.97 0.98 20.93 61.84 11.57 0.17 0.73 0.00 3.91 0.83 72 G C C 23.70 8.79 22.79 31.81 129.15 -98.19 -110.93 173.03 93.56 2.09 4.35 69.49 21.52 2.34 3.69 0.92 0.00 0.76 1.28 73 N H H 38.41 20.92 15.90 35.92 92.58 -89.22 -62.67 -36.76 8.17 0.05 91.78 1.50 2.56 4.30 90.50 1.07 0.02 0.02 0.03 74 N H H 88.68 7.03 22.26 29.83 92.22 54.00 -64.69 -40.45 4.69 0.04 95.27 0.71 0.75 3.23 94.18 1.08 0.02 0.02 0.01 75 E H H 86.44 6.21 23.80 30.16 92.32 49.01 -65.90 -40.51 2.16 0.05 97.79 0.55 0.33 1.33 96.66 1.08 0.01 0.03 0.01 76 L H H 4.27 24.11 16.90 41.26 91.78 50.42 -64.04 -43.12 0.94 0.02 99.04 0.18 0.13 0.59 98.42 0.65 0.00 0.01 0.00 77 G H H 7.02 16.83 17.45 35.09 91.27 51.26 -62.51 -42.43 1.44 0.02 98.54 0.25 0.16 0.95 97.73 0.89 0.00 0.01 0.00 78 T H H 89.39 2.55 22.80 24.65 91.98 49.80 -65.18 -40.68 1.86 0.02 98.12 0.22 0.16 1.38 96.89 1.33 0.01 0.01 0.00 79 A H H 39.64 12.60 18.27 31.08 92.08 52.35 -66.59 -35.11 5.47 0.03 94.50 0.23 0.34 4.95 93.39 1.06 0.01 0.01 0.01 80 V C T 22.51 19.24 14.91 34.04 95.62 41.35 -91.39 -4.00 53.55 0.07 46.39 0.57 1.82 50.93 45.15 1.44 0.02 0.02 0.05 81 G C T 56.57 2.13 20.98 22.45 94.21 -112.79 77.14 15.25 99.05 0.03 0.93 2.37 4.20 92.70 0.48 0.22 0.00 0.01 0.01 82 K C S 73.07 11.96 12.18 24.93 130.39 115.99 -118.32 156.17 98.50 0.71 0.79 47.55 47.82 3.09 0.27 0.47 0.00 0.24 0.57 83 L C S 123.04 3.21 18.40 22.34 96.48 -134.75 -80.38 -14.33 96.80 1.26 1.94 39.70 52.16 4.90 0.33 1.69 0.00 0.57 0.66 84 F C S 74.14 10.95 18.73 30.30 131.34 55.50 -125.57 156.25 94.38 2.73 2.88 35.32 52.48 6.51 0.44 2.67 0.00 1.60 0.98 85 R C C 103.41 11.85 23.86 35.18 111.68 -95.00 -73.93 132.77 89.65 7.85 2.50 66.17 18.38 4.81 0.44 2.46 0.00 5.84 1.91 86 V C C 6.64 25.04 19.07 44.24 122.29 -156.66 -111.15 134.09 76.47 22.88 0.65 69.64 5.57 0.77 0.21 0.47 0.00 20.36 2.97 87 G C S 10.98 17.83 26.57 44.14 99.23 -175.57 -91.83 -32.48 77.35 22.41 0.23 26.68 49.61 1.08 0.03 0.17 0.00 22.05 0.37 88 V E E 8.75 22.12 27.54 49.17 132.37 14.55 -141.62 139.94 9.30 90.50 0.20 7.64 1.49 0.22 0.05 0.09 0.00 90.19 0.31 89 V E E 2.31 26.68 26.80 52.96 123.39 -165.57 -122.60 131.51 1.70 98.20 0.11 1.54 0.10 0.02 0.06 0.02 0.00 98.20 0.06 90 S E E 7.49 21.64 28.57 49.15 122.32 -163.25 -113.29 133.06 1.02 98.89 0.09 0.89 0.05 0.01 0.08 0.01 0.00 98.93 0.03 91 I E E 7.67 23.62 22.09 45.56 116.00 -157.25 -107.08 123.07 3.38 96.53 0.09 3.33 0.10 0.02 0.08 0.02 0.00 96.16 0.28 92 L C E 57.66 13.55 22.94 36.11 99.62 -170.58 -87.78 -28.11 61.14 38.20 0.67 32.46 26.94 1.88 0.26 0.38 0.00 37.47 0.62 93 E C S 91.90 6.81 23.03 30.15 121.83 29.07 -126.95 128.97 84.80 11.17 4.03 26.45 50.43 7.83 2.14 1.66 0.01 10.17 1.32 94 A C T 48.28 14.84 15.53 29.88 96.51 -132.19 -63.65 -29.45 61.50 2.22 36.28 13.07 12.85 35.31 25.22 11.06 0.15 1.46 0.89 95 G C T 37.07 6.19 20.47 27.17 94.41 57.28 -55.98 -36.85 58.61 1.18 40.21 13.36 10.33 34.93 29.96 10.06 0.09 0.70 0.57 96 D H H 46.55 14.30 17.58 31.62 94.99 54.53 -80.12 -13.95 39.82 1.12 59.05 24.09 6.51 10.14 48.16 10.01 0.02 0.62 0.44 97 S H H 19.86 19.39 14.28 32.99 94.12 78.18 -65.69 -37.95 20.85 0.63 78.52 10.62 4.23 7.41 70.92 6.21 0.03 0.35 0.22 98 D H H 93.25 3.02 22.84 25.43 93.08 58.04 -66.48 -34.98 15.62 0.58 83.80 7.22 3.06 6.63 76.46 6.04 0.04 0.37 0.19 99 I H H 51.27 10.21 18.44 29.62 92.92 54.99 -66.24 -40.75 12.89 0.85 86.26 5.93 2.50 5.66 79.50 5.52 0.05 0.63 0.22 100 L H H 18.59 21.11 13.53 33.90 93.11 53.25 -67.07 -39.27 12.75 1.34 85.91 6.43 2.53 5.13 79.15 5.35 0.05 1.09 0.28 101 T H H 76.12 7.38 16.47 24.70 94.07 55.06 -69.33 -35.12 20.74 1.56 77.69 8.98 3.54 9.26 71.20 5.39 0.06 1.20 0.37 102 T H H 100.47 2.21 15.89 18.19 94.85 54.00 -74.32 -25.00 34.52 1.54 63.94 11.57 4.87 18.98 58.36 4.65 0.08 0.97 0.52 103 L C H 82.05 9.45 11.03 21.28 99.44 59.70 -82.90 -8.17 53.88 1.02 45.11 31.16 2.07 20.10 43.36 2.32 0.01 0.47 0.52 104 A C C 58.17 11.07 13.08 24.18 106.15 91.50 -76.82 82.86 99.91 0.04 0.06 99.78 0.07 0.08 0.04 0.00 0.00 0.02 0.00