# 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 116.99 6.30 15.00 22.66 113.16 -145.44 -92.57 124.22 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 V C C 57.05 12.08 12.31 25.09 120.35 -161.12 -106.97 137.78 92.41 4.26 3.34 91.17 0.90 0.81 3.19 0.24 0.00 1.97 1.71 2 D C C 77.20 5.46 19.41 25.37 110.64 -127.40 -84.50 125.39 91.26 3.88 4.86 87.92 2.40 1.07 4.84 0.44 0.00 1.74 1.60 3 F H H 22.39 22.41 14.24 36.10 94.15 -153.18 -65.44 -36.45 7.45 0.06 92.49 2.98 1.13 3.27 91.81 0.76 0.00 0.02 0.03 4 A H H 35.23 14.17 18.44 32.42 91.72 55.77 -62.75 -41.75 3.30 0.01 96.69 0.78 0.38 1.94 96.28 0.61 0.00 0.01 0.01 5 F H H 111.33 2.55 23.31 24.54 91.74 49.04 -65.64 -41.05 1.34 0.01 98.65 0.39 0.16 0.74 98.23 0.47 0.00 0.00 0.00 6 E H H 33.97 14.41 19.45 34.28 91.82 50.45 -64.69 -42.57 0.49 0.00 99.51 0.14 0.04 0.23 99.44 0.14 0.00 0.00 0.00 7 L H H 4.93 25.54 16.27 42.07 91.41 50.49 -63.49 -42.40 0.22 0.00 99.78 0.05 0.01 0.11 99.78 0.05 0.00 0.00 0.00 8 R H H 118.79 6.56 22.60 29.63 91.22 52.23 -62.72 -41.42 0.20 0.00 99.80 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 9 K H H 100.83 3.70 23.36 26.68 91.68 49.93 -64.74 -41.68 0.33 0.00 99.66 0.04 0.02 0.20 99.66 0.07 0.00 0.00 0.00 10 V H H 9.23 20.50 15.47 36.20 92.12 49.90 -64.42 -42.10 0.52 0.01 99.46 0.08 0.04 0.32 99.41 0.15 0.00 0.00 0.00 11 Q H H 60.53 16.16 16.24 31.63 92.15 51.08 -65.15 -37.61 1.67 0.02 98.31 0.19 0.09 1.26 97.86 0.57 0.00 0.01 0.00 12 D H H 117.31 1.31 20.08 20.27 92.16 49.88 -70.45 -29.40 6.73 0.01 93.25 0.23 0.27 6.18 92.82 0.47 0.01 0.00 0.01 13 T H H 72.13 5.85 17.02 23.75 98.30 36.24 -94.85 -16.07 25.24 0.06 74.69 0.73 2.29 21.67 74.63 0.58 0.03 0.01 0.05 14 G C S 30.82 11.38 16.99 28.43 112.80 -96.07 83.35 8.21 99.27 0.58 0.15 10.47 67.72 21.12 0.03 0.09 0.00 0.49 0.07 15 K C C 99.33 9.42 22.37 31.70 111.97 73.00 -97.46 120.55 71.52 28.38 0.10 50.50 19.05 0.56 0.02 0.09 0.00 29.32 0.45 16 I E E 20.57 22.79 16.43 38.71 122.54 -156.79 -114.96 131.70 7.22 92.70 0.08 6.65 0.63 0.06 0.04 0.04 0.00 91.88 0.70 17 V E E 33.85 14.01 24.29 38.46 120.75 -164.00 -113.94 130.32 3.61 96.37 0.02 3.79 0.09 0.01 0.02 0.01 0.00 95.53 0.56 18 M E E 56.56 17.20 22.11 37.97 122.70 -164.91 -117.38 131.76 14.95 85.02 0.03 13.71 0.84 0.04 0.01 0.01 0.00 84.93 0.45 19 G C S 15.30 10.61 25.17 37.07 121.83 23.01 94.35 160.39 93.44 2.90 3.66 22.44 67.58 3.19 4.11 0.41 0.00 1.64 0.65 20 A H H 19.47 21.79 16.66 37.40 92.63 -89.24 -61.53 -39.68 5.14 0.01 94.85 0.59 1.55 2.85 94.44 0.55 0.01 0.00 0.01 21 K H H 135.00 3.40 23.92 27.90 91.40 51.63 -63.19 -41.20 2.37 0.01 97.63 0.20 0.30 1.73 97.21 0.54 0.00 0.00 0.00 22 K H H 96.70 6.38 24.31 30.90 91.91 47.63 -66.53 -39.72 0.73 0.00 99.27 0.11 0.07 0.46 98.93 0.43 0.00 0.00 0.00 23 S H H 1.30 26.81 16.42 43.95 91.31 51.38 -63.53 -43.46 0.21 0.00 99.79 0.03 0.01 0.12 99.73 0.11 0.00 0.00 0.00 24 I H H 31.95 18.34 22.16 39.49 91.41 49.92 -63.16 -42.83 0.11 0.00 99.89 0.01 0.01 0.07 99.87 0.05 0.00 0.00 0.00 25 H H H 112.09 2.33 27.06 28.19 91.53 49.85 -63.48 -42.35 0.12 0.00 99.88 0.01 0.01 0.09 99.84 0.06 0.00 0.00 0.00 26 L H H 27.27 13.71 20.95 35.30 91.68 49.62 -64.45 -41.85 0.26 0.00 99.74 0.02 0.01 0.20 99.57 0.20 0.00 0.00 0.00 27 A H H 2.56 26.14 14.60 41.15 91.36 50.71 -63.81 -41.69 0.89 0.00 99.11 0.04 0.03 0.77 98.35 0.80 0.00 0.00 0.00 28 K H H 117.87 7.82 20.43 29.05 91.89 51.05 -66.65 -33.52 5.44 0.00 94.56 0.08 0.13 5.50 93.55 0.73 0.00 0.00 0.00 29 V C T 100.45 2.58 21.16 23.03 95.69 47.01 -86.22 -7.77 57.29 0.03 42.69 0.42 1.82 54.35 42.27 1.09 0.00 0.01 0.03 30 G C T 35.24 12.63 17.31 29.25 98.58 -105.87 83.05 7.84 99.41 0.04 0.55 2.25 9.33 88.00 0.24 0.15 0.00 0.01 0.02 31 G C C 34.49 7.78 23.63 31.61 96.94 118.41 -81.73 -1.69 99.52 0.39 0.09 66.93 30.30 2.34 0.02 0.08 0.00 0.21 0.12 32 A C C 4.45 25.82 13.35 39.27 115.70 119.74 -77.99 137.81 89.80 10.15 0.05 86.82 2.52 0.18 0.01 0.03 0.00 10.14 0.30 33 K C S 83.25 10.30 27.03 38.36 100.78 171.67 -98.24 -26.65 87.61 12.38 0.01 15.28 72.13 0.19 0.00 0.00 0.00 12.30 0.10 34 L E E 8.67 21.78 27.00 47.98 138.50 11.99 -148.46 146.82 1.21 98.79 0.00 0.89 0.23 0.01 0.00 0.00 0.00 98.84 0.03 35 I E E 0.89 27.76 27.39 55.17 120.82 -158.29 -118.11 128.27 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 36 I E E 1.43 26.45 29.62 55.61 116.91 -161.99 -109.01 124.60 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 37 V E E 3.35 24.96 27.02 50.94 130.94 -176.53 -127.49 148.46 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.01 38 A E E 4.19 23.00 20.53 44.02 114.18 -110.60 -72.61 140.96 23.30 76.68 0.02 22.68 0.47 0.04 0.00 0.01 0.00 76.54 0.26 39 R C T 114.27 9.91 22.60 33.20 92.22 -127.69 -65.32 -25.50 95.42 3.88 0.70 2.24 16.88 76.64 0.03 0.76 0.00 3.15 0.29 40 N C T 85.94 6.78 22.40 30.18 94.41 58.70 -90.40 5.32 98.61 0.77 0.62 4.71 23.16 70.69 0.04 0.71 0.00 0.54 0.14 41 A C C 8.71 24.02 9.27 32.33 119.63 113.32 -76.32 147.78 98.27 1.11 0.62 50.07 47.49 0.63 0.26 0.24 0.00 0.30 1.02 42 R C C 113.36 4.30 19.88 24.37 113.98 -99.22 -64.83 145.60 99.67 0.06 0.27 99.05 0.57 0.12 0.19 0.02 0.00 0.01 0.04 43 P H H 96.51 4.35 14.44 20.65 91.28 -113.59 -57.17 -38.10 6.56 0.01 93.43 0.88 0.82 4.47 91.07 2.75 0.00 0.00 0.00 44 D H H 102.71 1.71 18.76 19.84 91.77 54.34 -64.83 -37.17 4.91 0.01 95.08 0.62 0.46 3.57 92.31 3.02 0.00 0.00 0.00 45 I H H 27.19 16.59 15.58 32.25 92.73 48.26 -67.39 -40.46 2.45 0.02 97.53 0.67 0.28 1.35 94.96 2.72 0.00 0.01 0.00 46 K H H 54.27 17.66 16.49 33.25 91.58 53.19 -61.42 -42.98 1.63 0.01 98.36 0.48 0.17 0.79 97.77 0.78 0.00 0.00 0.00 47 E H H 107.29 2.33 24.00 24.93 91.63 50.52 -64.13 -41.43 2.12 0.00 97.88 0.23 0.12 1.53 97.71 0.41 0.00 0.00 0.00 48 D H H 55.66 8.14 22.51 31.13 91.67 49.84 -64.78 -41.52 1.52 0.00 98.47 0.16 0.08 1.10 98.50 0.15 0.00 0.00 0.00 49 I H H 1.67 27.10 16.36 44.28 90.98 49.88 -63.85 -43.34 0.15 0.00 99.85 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 50 Y H H 89.00 13.21 22.08 34.55 91.47 51.21 -62.43 -42.36 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 51 Y H H 124.40 2.26 25.48 25.95 91.60 49.65 -63.67 -43.24 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 52 Y H H 38.36 14.25 20.73 35.46 92.04 48.69 -64.42 -42.65 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 53 A H H 3.66 23.58 13.92 37.71 91.28 50.84 -63.23 -42.34 0.20 0.00 99.80 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 54 K H H 139.27 2.85 20.45 24.08 91.52 50.34 -63.70 -40.55 0.61 0.00 99.39 0.02 0.02 0.54 99.12 0.29 0.00 0.00 0.00 55 L H H 109.63 3.43 19.15 22.81 91.84 51.01 -66.14 -33.51 2.67 0.00 97.33 0.05 0.09 2.52 96.97 0.37 0.00 0.00 0.00 56 S H H 29.68 15.04 14.02 29.34 94.47 47.22 -88.14 -6.00 24.45 0.02 75.53 0.57 1.47 21.64 75.75 0.53 0.01 0.00 0.02 57 G C T 58.93 1.54 21.83 22.70 93.42 -117.57 70.81 25.66 99.89 0.01 0.10 11.69 2.48 85.76 0.04 0.02 0.00 0.00 0.00 58 I C C 11.81 23.52 11.15 34.50 115.69 147.34 -94.53 129.65 99.84 0.16 0.00 96.14 3.74 0.02 0.00 0.00 0.00 0.08 0.03 59 P C C 58.22 6.69 25.21 32.69 112.84 -114.55 -67.45 140.23 98.63 1.37 0.00 98.01 0.77 0.01 0.00 0.00 0.00 1.18 0.04 60 V E E 31.40 23.35 14.28 36.74 126.37 -164.33 -124.64 135.46 3.18 96.81 0.00 3.24 0.10 0.00 0.00 0.00 0.00 96.09 0.57 61 Y E E 60.14 13.11 23.42 36.64 122.61 -166.86 -118.63 131.74 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.68 0.03 62 E E E 87.67 13.14 21.63 34.37 118.39 -151.84 -105.14 129.22 1.35 98.65 0.00 1.35 0.02 0.00 0.00 0.00 0.00 98.56 0.06 63 F E E 25.65 20.11 13.64 33.56 123.45 -167.13 -116.55 139.49 36.01 63.97 0.02 34.76 0.66 0.05 0.00 0.01 0.00 64.18 0.34 64 E C C 146.15 2.06 22.20 23.85 103.24 -134.35 -86.95 50.27 84.61 15.32 0.07 50.71 31.03 1.73 0.01 0.08 0.00 16.14 0.32 65 G C S 23.39 10.04 18.21 29.05 139.70 76.39 -146.69 -174.92 94.57 5.21 0.22 21.86 70.92 2.29 0.05 0.15 0.00 4.05 0.68 66 T C C 57.00 6.34 24.28 30.66 126.86 -80.36 -99.64 164.85 96.38 2.73 0.89 87.22 8.62 0.52 0.80 0.17 0.00 1.08 1.59 67 S H H 19.43 22.08 15.08 36.68 92.03 -105.06 -60.22 -36.94 4.20 0.01 95.79 0.74 1.30 1.90 95.71 0.33 0.01 0.00 0.01 68 V H H 77.77 7.34 22.41 30.09 92.19 54.26 -64.38 -41.37 1.50 0.01 98.50 0.18 0.18 0.99 98.36 0.28 0.00 0.00 0.00 69 E H H 84.22 5.48 23.79 29.42 92.06 49.00 -65.44 -40.84 0.73 0.01 99.26 0.14 0.07 0.44 99.04 0.30 0.00 0.00 0.00 70 L H H 3.77 24.19 16.47 41.09 91.73 50.35 -63.96 -43.30 0.25 0.00 99.75 0.03 0.02 0.15 99.64 0.16 0.00 0.00 0.00 71 G H H 6.75 17.21 16.77 34.74 91.51 51.52 -62.71 -42.40 0.38 0.00 99.61 0.04 0.02 0.25 99.44 0.25 0.00 0.00 0.00 72 T H H 94.99 1.92 22.21 23.23 92.03 49.64 -64.55 -40.74 0.62 0.00 99.38 0.04 0.03 0.50 98.95 0.48 0.00 0.00 0.00 73 L H H 68.48 10.88 18.36 29.61 91.92 50.38 -66.22 -36.99 2.23 0.01 97.77 0.06 0.11 2.10 97.25 0.48 0.00 0.00 0.00 74 L H H 23.52 19.57 14.04 33.50 94.03 43.76 -88.28 -8.86 41.13 0.03 58.83 0.34 1.09 40.01 57.62 0.90 0.01 0.01 0.03 75 G C T 59.25 1.49 20.81 21.22 94.95 -115.42 75.51 19.65 99.68 0.01 0.31 2.09 2.36 95.35 0.14 0.05 0.00 0.00 0.00 76 R C S 69.75 14.01 10.85 25.14 129.81 118.72 -120.61 152.94 99.54 0.34 0.12 42.46 56.20 0.87 0.03 0.07 0.00 0.09 0.28 77 P C S 105.52 2.57 19.69 22.23 94.93 -124.37 -75.06 -7.44 99.62 0.22 0.17 25.68 70.06 3.88 0.02 0.17 0.00 0.10 0.09 78 H C S 62.63 11.70 17.43 29.90 134.55 57.19 -127.26 156.82 97.74 1.86 0.40 22.85 71.80 3.35 0.05 0.33 0.00 0.95 0.66 79 T C C 60.48 10.38 23.84 34.23 112.27 -94.78 -70.75 136.21 95.93 3.67 0.40 80.59 13.66 1.75 0.07 0.42 0.00 2.31 1.20 80 V C C 8.95 24.75 17.35 42.22 121.67 -154.68 -112.18 131.87 74.70 25.14 0.16 72.44 2.63 0.18 0.05 0.11 0.00 21.25 3.35 81 S C S 23.56 15.61 26.37 42.21 99.02 -175.07 -92.38 -29.29 80.74 19.19 0.07 29.51 50.99 0.38 0.01 0.05 0.00 18.78 0.28 82 A E E 5.44 21.72 27.41 48.88 141.76 4.51 -153.34 149.74 6.39 93.48 0.14 5.44 0.87 0.10 0.04 0.06 0.00 93.17 0.32 83 L E E 3.58 26.24 26.43 52.03 126.93 -164.67 -129.46 136.81 0.76 99.23 0.01 0.72 0.05 0.00 0.00 0.00 0.00 99.19 0.03 84 A E E 8.15 21.14 28.33 48.49 120.40 -160.18 -113.99 130.58 0.42 99.57 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.59 0.01 85 V E E 7.20 23.56 21.69 45.15 114.93 -159.19 -103.39 121.79 2.09 97.91 0.01 2.03 0.06 0.00 0.00 0.00 0.00 97.80 0.11 86 I C E 63.07 12.47 23.17 35.48 98.64 -173.40 -86.71 -28.65 55.91 44.00 0.09 26.29 28.94 0.83 0.01 0.07 0.00 43.43 0.43 87 D C S 67.96 7.01 22.64 30.18 115.39 28.66 -131.93 103.75 91.11 8.37 0.52 36.34 52.51 2.29 0.20 0.27 0.00 7.75 0.65 88 P C T 49.48 17.07 13.98 30.59 96.21 -159.01 -63.78 -18.46 67.31 2.46 30.23 17.94 10.73 38.80 14.05 15.90 0.04 1.62 0.92 89 G C T 40.04 7.45 19.39 27.32 96.65 61.92 9.38 -28.48 62.27 1.26 36.47 13.78 9.98 37.92 19.58 17.28 0.06 0.68 0.71 90 E C H 104.89 7.23 18.65 26.53 97.44 50.99 -89.71 -4.21 50.30 1.33 48.37 27.10 9.39 14.02 30.73 17.41 0.02 0.65 0.67 91 S H H 18.05 20.03 11.24 30.32 111.99 96.22 -86.96 139.75 37.99 0.84 61.18 25.62 6.80 6.54 53.94 6.37 0.01 0.39 0.33 92 K H H 138.12 2.87 22.40 25.39 94.97 -155.52 -69.53 -28.33 19.34 0.59 80.08 11.16 4.11 5.60 73.72 4.90 0.02 0.33 0.17 93 I H H 33.24 16.50 17.66 34.04 92.91 55.74 -65.65 -41.44 11.43 0.72 87.84 6.39 1.91 3.93 81.74 5.34 0.02 0.56 0.13 94 L H H 26.77 18.42 15.87 33.95 92.31 51.92 -64.10 -40.65 9.47 0.71 89.82 5.08 1.58 3.41 83.13 6.08 0.02 0.60 0.11 95 A H H 62.97 4.39 19.95 24.80 92.11 52.66 -64.60 -38.23 15.43 1.02 83.55 7.40 2.38 6.26 77.06 5.86 0.05 0.80 0.21 96 L H H 82.54 6.41 17.47 24.88 92.85 52.12 -68.15 -33.11 22.83 1.12 76.05 8.63 3.95 11.08 70.23 4.95 0.09 0.75 0.33 97 A H H 33.68 14.81 12.76 27.48 95.11 55.89 -72.22 -24.00 37.73 1.37 60.91 12.29 7.40 19.12 56.19 3.65 0.09 0.72 0.54 98 G C T 47.12 5.71 15.74 22.43 101.80 0.85 63.01 0.72 62.11 1.13 36.76 16.28 10.14 35.89 32.93 3.69 0.04 0.54 0.50 99 G C C 44.43 6.25 11.81 19.49 111.85 120.06 -58.15 166.54 77.31 2.20 20.48 33.70 17.80 26.52 15.38 4.57 0.01 1.14 0.88 100 K C C 149.70 2.72 11.19 15.58 108.98 -90.80 -88.56 100.84 86.87 2.48 10.65 74.31 2.18 11.07 7.37 2.42 0.00 1.42 1.23 101 E C C 133.20 3.85 11.69 17.36 109.35 -125.37 -84.43 115.32 99.93 0.05 0.02 99.85 0.06 0.05 0.01 0.00 0.00 0.02 0.01