# 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 92.83 9.59 16.03 26.17 115.57 -171.92 -97.74 130.23 99.79 0.20 0.01 99.74 0.10 0.04 0.00 0.00 0.00 0.10 0.02 1 L C C 97.62 7.44 16.25 24.76 113.71 -143.33 -92.70 126.46 90.25 9.40 0.35 88.31 1.80 0.72 0.15 0.13 0.00 5.68 3.21 2 I C C 31.59 18.82 9.82 27.75 118.44 -149.59 -95.66 134.98 93.30 6.63 0.07 73.55 20.49 0.13 0.04 0.03 0.00 4.22 1.54 3 P C C 61.63 4.41 17.07 22.55 114.56 -106.50 -65.05 150.05 97.08 2.77 0.16 97.42 0.38 0.05 0.11 0.02 0.00 1.51 0.51 4 T H H 92.16 5.78 13.03 20.79 91.62 -113.13 -57.90 -37.61 2.92 0.01 97.08 0.60 0.45 1.65 95.85 1.44 0.00 0.00 0.00 5 K H H 147.11 1.46 17.69 18.59 91.45 54.24 -64.47 -37.73 1.70 0.01 98.30 0.19 0.15 1.20 96.85 1.60 0.00 0.00 0.00 6 N H H 41.09 12.98 15.67 29.23 93.42 48.03 -70.79 -36.87 1.13 0.01 98.85 0.28 0.12 0.65 97.11 1.83 0.00 0.01 0.00 7 I H H 28.78 19.04 16.08 34.57 91.75 53.91 -62.49 -43.31 0.24 0.00 99.76 0.06 0.02 0.10 99.74 0.08 0.00 0.00 0.00 8 L H H 75.94 5.74 22.72 28.70 91.45 50.46 -63.44 -41.88 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 9 A H H 33.88 6.37 22.58 29.98 91.39 50.40 -63.54 -41.69 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 10 V H H 5.07 23.60 18.96 42.63 91.34 49.76 -63.94 -43.81 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 11 K H H 48.59 18.30 21.22 38.20 91.31 51.01 -62.11 -42.48 0.31 0.00 99.69 0.02 0.01 0.23 99.64 0.09 0.00 0.00 0.00 12 R H H 129.11 3.41 24.81 28.00 91.51 50.50 -63.68 -41.69 0.68 0.00 99.32 0.03 0.02 0.57 99.13 0.25 0.00 0.00 0.00 13 H H H 38.87 11.69 21.15 33.74 92.12 49.28 -65.07 -42.09 1.13 0.00 98.87 0.07 0.06 0.96 98.40 0.52 0.00 0.00 0.00 14 M H H 5.62 24.43 16.46 40.88 91.70 49.53 -64.62 -42.22 2.85 0.02 97.14 0.24 0.21 2.32 95.80 1.41 0.01 0.01 0.01 15 L H H 52.86 14.49 18.49 32.62 93.25 47.62 -68.09 -37.24 8.57 0.04 91.40 0.62 0.57 7.19 89.23 2.33 0.03 0.02 0.02 16 E H H 126.56 2.51 21.29 23.54 93.26 48.73 -70.27 -35.71 19.27 0.10 80.63 1.32 1.73 16.20 78.55 2.04 0.06 0.04 0.06 17 K C T 92.20 9.03 18.77 28.22 97.79 33.50 -95.81 -1.96 63.18 0.48 36.34 4.62 9.31 47.21 36.03 2.29 0.05 0.19 0.30 18 R C T 96.43 13.20 20.50 33.46 95.81 -122.62 59.38 39.74 94.53 3.51 1.96 27.31 12.72 55.04 0.95 0.73 0.00 2.90 0.36 19 C E E 10.39 20.75 21.15 41.53 131.23 140.71 -124.66 150.46 44.05 55.77 0.18 38.70 3.39 0.39 0.06 0.11 0.00 56.43 0.92 20 I E E 8.00 23.15 23.99 46.67 121.75 -148.10 -111.30 133.42 5.59 94.38 0.03 5.20 0.33 0.03 0.01 0.01 0.00 93.36 1.06 21 V E E 24.29 17.85 25.92 43.02 121.38 -155.88 -110.96 133.43 5.08 94.90 0.02 4.87 0.21 0.02 0.01 0.01 0.00 93.55 1.33 22 V E E 11.91 22.06 17.56 39.59 120.03 -156.54 -106.99 135.41 36.95 62.91 0.14 34.55 1.43 0.21 0.04 0.08 0.00 62.64 1.04 23 E C C 91.31 9.14 20.85 30.20 114.11 -145.18 -90.00 138.46 83.41 16.06 0.53 57.36 19.87 5.33 0.08 0.52 0.00 15.96 0.87 24 D C C 88.76 7.88 17.84 26.03 101.90 -58.67 -85.52 46.92 95.25 3.62 1.13 59.70 26.04 9.54 0.17 1.12 0.00 2.60 0.83 25 T C C 45.97 13.07 12.77 26.35 119.05 117.20 -107.14 132.64 92.17 4.19 3.64 52.02 26.07 13.99 0.58 3.34 0.00 2.32 1.67 26 P C C 92.16 5.48 15.66 22.39 105.91 -132.98 -77.68 101.17 93.03 2.87 4.10 48.30 25.37 19.20 0.57 3.82 0.00 1.51 1.22 27 K C C 107.43 9.25 13.88 23.95 106.71 158.67 -90.61 36.04 90.38 4.23 5.39 56.59 22.30 10.91 0.91 4.96 0.00 2.13 2.20 28 G C C 31.61 7.90 15.84 24.77 123.53 -126.79 89.29 174.28 91.50 5.05 3.45 64.47 16.88 9.67 0.62 3.33 0.00 3.15 1.87 29 N C C 110.20 4.06 17.00 22.60 118.22 -72.78 -96.43 138.46 78.20 18.98 2.81 56.84 15.56 4.43 0.92 2.06 0.01 6.97 13.22 30 H C C 35.56 17.95 8.59 25.78 112.90 -131.37 -90.48 122.28 88.38 10.79 0.83 77.33 8.91 1.25 0.37 0.47 0.00 4.70 6.96 31 P C T 108.25 1.79 16.38 18.29 92.78 -139.43 -64.53 -24.22 93.47 0.54 5.99 7.46 14.95 70.80 0.65 5.56 0.00 0.34 0.24 32 V C T 89.16 5.79 14.83 21.69 97.24 48.39 -86.14 -26.10 93.45 0.82 5.74 6.14 17.33 69.77 0.64 5.22 0.00 0.47 0.43 33 L C T 32.07 17.79 10.20 27.12 118.00 45.32 -114.25 129.10 85.46 7.02 7.53 26.92 26.78 31.69 1.15 6.41 0.02 2.96 4.07 34 N C C 126.48 1.85 20.14 21.64 98.19 -137.85 -67.94 40.01 96.07 3.06 0.87 49.30 29.12 17.87 0.21 0.70 0.00 1.97 0.84 35 I C C 25.58 17.52 11.79 29.63 123.38 124.16 -111.00 139.48 92.14 7.42 0.44 49.30 43.56 0.65 0.28 0.15 0.00 3.34 2.72 36 P C C 56.76 5.18 22.34 27.91 113.27 -105.71 -66.62 145.96 81.44 17.57 0.99 80.85 1.09 0.27 0.83 0.15 0.00 6.54 10.27 37 N H H 46.73 18.60 14.43 32.37 92.07 -116.20 -58.65 -37.48 2.86 0.01 97.13 1.01 0.43 1.32 96.43 0.80 0.00 0.00 0.01 38 L H H 88.29 6.00 21.70 28.19 91.44 57.00 -63.71 -36.67 0.52 0.00 99.48 0.08 0.04 0.32 98.90 0.65 0.00 0.00 0.00 39 Q H H 68.14 8.44 22.23 31.09 91.88 51.05 -65.85 -40.06 0.17 0.00 99.83 0.03 0.01 0.11 99.21 0.64 0.00 0.00 0.00 40 V H H 2.53 25.55 17.37 43.41 91.31 50.14 -63.17 -44.11 0.09 0.00 99.91 0.01 0.01 0.05 99.80 0.13 0.00 0.00 0.00 41 L H H 32.41 16.61 21.16 37.32 91.28 50.77 -62.66 -42.40 0.11 0.00 99.89 0.01 0.00 0.07 99.83 0.09 0.00 0.00 0.00 42 N H H 84.74 3.23 25.51 28.11 91.54 50.63 -63.97 -41.34 0.32 0.00 99.68 0.02 0.01 0.24 99.46 0.26 0.00 0.00 0.00 43 I H H 25.08 15.53 21.02 36.83 91.91 49.67 -64.46 -42.50 0.73 0.00 99.26 0.04 0.03 0.58 98.66 0.69 0.00 0.00 0.00 44 M H H 5.42 25.29 17.08 42.41 91.49 50.83 -64.63 -39.87 2.40 0.01 97.59 0.24 0.14 1.80 95.76 2.05 0.00 0.00 0.00 45 K H H 111.36 7.63 21.61 29.97 91.69 54.70 -64.02 -36.46 16.08 0.08 83.83 0.86 0.81 14.51 79.01 4.68 0.04 0.05 0.03 46 S H H 58.10 4.66 21.63 26.28 91.86 53.51 -71.22 -29.46 37.27 0.30 62.43 2.43 2.82 31.55 57.56 5.24 0.10 0.15 0.15 47 L C H 18.89 19.56 13.62 33.00 95.68 60.32 -75.78 -21.41 48.61 7.94 43.45 21.59 10.64 17.91 35.07 6.93 0.48 4.91 2.46 48 V C C 62.45 13.60 15.20 28.39 95.52 76.15 -71.77 -35.67 44.29 30.64 25.07 24.45 9.09 11.48 20.58 5.22 0.89 20.41 7.89 49 S C C 75.57 3.13 17.35 20.78 97.17 57.44 -81.53 -14.83 52.09 28.94 18.97 24.47 12.35 16.00 14.09 5.41 0.80 19.10 7.77 50 K C T 112.10 6.45 14.60 22.23 98.79 55.70 -89.66 10.19 91.94 1.95 6.11 5.27 25.02 62.55 2.19 2.94 0.04 1.09 0.90 51 R C T 168.88 3.19 19.07 23.21 94.68 -113.49 64.89 19.28 97.76 0.28 1.96 2.44 23.32 72.47 0.26 1.25 0.00 0.15 0.11 52 Y C T 43.13 16.63 15.81 32.54 99.94 108.54 -94.60 -18.12 78.15 20.44 1.42 9.55 31.85 38.55 0.20 1.13 0.00 17.43 1.29 53 V E E 7.47 23.68 12.53 36.36 130.27 38.82 -129.34 145.04 12.79 87.13 0.07 10.39 2.19 0.19 0.03 0.04 0.00 84.56 2.59 54 K E E 103.10 5.38 23.44 29.32 122.83 -157.60 -113.95 139.11 5.06 94.93 0.01 4.70 0.21 0.01 0.00 0.00 0.00 94.80 0.27 55 K E E 90.25 15.86 14.48 29.51 120.61 -143.95 -107.16 134.83 4.35 95.64 0.00 4.09 0.16 0.01 0.00 0.00 0.00 95.62 0.11 56 T E E 62.96 6.59 17.75 25.64 124.68 -173.59 -124.58 137.19 8.05 91.93 0.02 7.16 0.49 0.05 0.00 0.01 0.00 92.04 0.24 57 F E E 106.38 9.92 12.36 23.26 117.56 -144.86 -102.65 129.34 24.09 75.83 0.08 20.01 3.27 0.32 0.02 0.06 0.00 75.52 0.81 58 C C C 57.50 6.61 11.94 20.35 119.06 -174.72 -117.45 130.59 60.42 39.12 0.46 44.99 12.97 1.79 0.09 0.39 0.00 38.47 1.30 59 W C T 189.56 2.75 13.08 16.63 99.47 -74.06 -50.09 -30.78 91.38 2.97 5.65 9.15 39.58 43.66 0.65 4.24 0.01 2.04 0.68 60 R C T 161.47 3.16 14.46 18.41 100.77 9.71 -89.71 -19.85 92.94 1.25 5.81 7.96 36.22 49.14 0.58 4.92 0.00 0.81 0.36 61 H C T 77.97 9.20 15.26 25.47 125.05 32.74 -128.95 143.95 72.92 22.16 4.91 16.90 22.17 34.99 0.53 4.34 0.01 19.75 1.30 62 G E E 13.20 14.39 16.21 31.63 124.80 -147.96 -114.27 144.99 25.24 74.22 0.54 18.76 3.83 2.84 0.07 0.55 0.00 73.10 0.85 63 Y E E 34.44 15.80 20.17 36.62 128.39 -165.83 -127.96 143.83 5.40 94.58 0.02 4.74 0.41 0.05 0.00 0.01 0.00 94.61 0.17 64 Y E E 23.55 19.17 21.55 40.70 121.33 -151.41 -110.29 135.59 1.27 98.73 0.00 1.07 0.07 0.01 0.00 0.00 0.00 98.80 0.05 65 F E E 33.86 16.50 24.35 40.54 124.96 -166.28 -117.28 139.30 1.80 98.20 0.00 1.64 0.06 0.00 0.00 0.00 0.00 98.09 0.20 66 L E E 8.39 23.79 17.98 42.27 113.03 -127.54 -85.63 129.89 15.67 84.32 0.01 14.99 0.53 0.01 0.00 0.00 0.00 83.47 0.99 67 E C C 50.63 10.77 22.57 33.77 126.01 -154.27 -96.13 170.55 93.70 6.11 0.19 87.89 6.06 0.12 0.15 0.04 0.00 5.26 0.48 68 D H H 89.93 7.31 18.95 27.20 91.94 -92.59 -60.32 -38.30 2.90 0.00 97.10 0.31 0.54 1.85 96.94 0.36 0.00 0.00 0.00 69 T H H 77.98 3.40 23.12 26.08 91.81 51.55 -65.52 -40.16 0.87 0.00 99.13 0.05 0.05 0.69 98.89 0.31 0.00 0.00 0.00 70 A H H 5.21 21.08 17.03 38.48 91.81 50.39 -64.29 -42.64 0.29 0.00 99.71 0.03 0.02 0.19 99.46 0.30 0.00 0.00 0.00 71 V H H 12.76 20.31 18.35 38.60 91.42 50.36 -63.28 -42.73 0.10 0.00 99.90 0.01 0.00 0.05 99.89 0.04 0.00 0.00 0.00 72 D H H 78.75 3.67 24.57 27.87 91.48 50.40 -63.56 -41.93 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 73 V H H 37.55 9.13 21.81 32.14 91.76 48.97 -63.72 -43.07 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 74 L H H 5.32 23.70 17.28 41.10 91.60 48.78 -64.55 -42.85 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 75 K H H 52.15 13.99 17.47 31.70 91.76 50.43 -63.50 -41.84 0.27 0.00 99.73 0.02 0.01 0.19 99.72 0.07 0.00 0.00 0.00 76 D H H 106.26 1.53 21.25 21.46 92.91 46.79 -67.50 -40.19 0.84 0.00 99.16 0.03 0.03 0.73 99.08 0.13 0.00 0.00 0.00 77 Q H H 73.53 10.39 17.47 28.30 94.26 44.92 -71.84 -37.40 4.66 0.01 95.33 0.09 0.18 4.41 95.09 0.22 0.00 0.00 0.00 78 L H H 30.68 17.03 14.12 31.30 97.87 33.68 -97.38 -6.86 47.09 0.14 52.77 1.39 4.26 39.41 53.98 0.76 0.05 0.03 0.12 79 C C T 100.61 2.60 20.04 23.07 94.16 -125.03 58.91 40.39 99.21 0.06 0.73 21.46 4.24 73.69 0.39 0.16 0.00 0.03 0.03 80 M C C 34.46 16.61 9.21 25.60 122.89 154.20 -99.38 148.04 99.50 0.34 0.16 87.44 11.62 0.38 0.08 0.06 0.00 0.10 0.32 81 S C C 58.45 2.86 19.04 21.40 116.01 -102.54 -68.56 152.29 99.65 0.11 0.24 98.93 0.62 0.21 0.11 0.04 0.00 0.03 0.06 82 D H H 93.44 9.07 11.66 21.83 92.28 -111.95 -59.97 -33.88 41.86 0.18 57.95 3.18 4.99 30.87 33.12 27.52 0.06 0.08 0.18 83 D H H 120.80 1.09 16.82 17.05 92.44 58.99 -69.81 -24.70 41.94 0.27 57.79 2.39 3.81 32.95 34.00 26.38 0.13 0.14 0.19 84 E H H 90.08 6.92 15.43 23.43 97.73 49.18 -84.91 -20.07 34.37 1.32 64.32 6.59 5.23 20.72 38.74 27.21 0.18 0.75 0.57 85 A H H 17.02 18.59 11.89 29.80 97.28 75.42 -66.82 -41.01 29.41 2.66 67.93 16.47 6.99 8.24 50.76 14.93 0.16 1.36 1.09 86 A H H 50.01 9.89 16.05 26.63 94.56 56.95 -65.05 -31.52 29.26 1.80 68.93 11.13 4.15 12.66 41.54 28.71 0.08 1.16 0.56 87 G H H 48.84 3.31 18.83 22.47 94.09 57.67 -70.26 -22.09 33.76 1.37 64.87 8.46 4.78 18.30 36.40 30.64 0.10 0.83 0.48 88 L H H 67.80 12.19 16.68 28.89 96.11 58.15 -80.42 -18.30 44.51 3.48 52.00 13.60 9.04 21.07 28.67 24.09 0.17 2.16 1.19 89 Y C C 61.38 18.06 13.85 30.87 105.59 61.29 -95.44 32.73 64.14 8.34 27.51 30.63 21.39 13.16 15.68 10.69 0.16 3.61 4.70 90 A C C 52.15 7.76 17.00 25.87 117.18 134.49 -87.44 138.31 87.45 2.28 10.27 64.75 19.98 2.65 7.72 2.60 0.00 1.11 1.18 91 P C C 79.76 8.82 13.74 23.52 105.63 -108.92 -64.61 141.12 67.76 2.17 30.07 50.53 7.30 9.86 14.28 15.91 0.00 1.36 0.77 92 S C C 79.28 4.26 15.26 20.68 104.75 -114.54 -82.74 45.02 64.50 3.78 31.72 43.56 10.05 10.88 14.75 17.09 0.01 2.47 1.19 93 A C C 54.99 9.19 12.71 22.88 105.64 82.36 -86.84 34.71 62.23 6.89 30.87 45.26 10.41 6.79 17.32 13.58 0.02 4.67 1.95 94 V C C 73.11 9.71 12.65 23.26 113.68 119.30 -94.01 122.73 72.97 6.50 20.53 55.88 13.54 3.42 17.45 3.58 0.01 3.99 2.13 95 V C C 73.06 8.06 12.44 21.78 113.82 -145.16 -87.40 135.73 73.75 4.04 22.21 64.44 5.60 3.65 18.76 3.72 0.00 2.66 1.16 96 S C C 76.13 3.91 12.97 18.22 103.96 -127.20 -74.17 0.74 57.36 2.45 40.18 31.03 9.65 16.85 27.23 12.86 0.02 1.60 0.76 97 N C H 99.69 4.49 12.34 18.11 101.46 58.60 -82.85 22.05 54.52 2.54 42.94 25.46 9.23 20.34 27.31 15.16 0.04 1.63 0.85 98 I C C 87.80 8.26 9.06 18.34 103.29 126.96 -82.71 10.84 51.41 5.27 43.32 29.52 10.65 12.07 27.05 15.65 0.08 3.30 1.68 99 K C C 138.85 3.12 10.34 15.13 105.87 81.39 -85.76 67.68 58.12 7.76 34.12 34.94 10.10 13.82 24.10 9.44 0.08 4.93 2.57 100 A C C 79.72 3.19 8.52 13.54 107.76 93.08 -83.68 105.04 78.53 3.23 18.24 64.72 1.99 12.48 13.76 3.66 0.00 2.02 1.37 101 Q C C 130.90 3.11 10.97 15.77 108.70 -145.21 -87.76 109.86 99.92 0.05 0.03 99.80 0.08 0.07 0.02 0.00 0.00 0.02 0.01