# 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 107.54 7.65 12.26 21.07 115.01 -157.86 -95.58 132.03 99.85 0.14 0.01 99.81 0.07 0.03 0.00 0.00 0.00 0.07 0.01 1 S C C 75.51 4.36 11.00 17.15 117.62 -150.76 -98.04 143.33 91.91 6.67 1.42 88.02 1.23 3.09 0.56 0.52 0.00 4.16 2.41 2 A C C 80.51 3.92 10.04 15.72 108.70 -126.72 -87.65 115.80 91.78 6.60 1.62 59.34 26.19 6.37 0.52 1.15 0.00 3.92 2.49 3 A C C 70.36 4.91 10.50 17.24 116.71 -120.79 -87.07 138.76 95.97 3.26 0.77 64.63 29.96 1.76 0.28 0.46 0.00 1.83 1.09 4 P C C 75.47 7.43 10.02 18.95 112.50 -104.92 -67.04 145.61 94.20 2.03 3.77 82.06 5.95 6.34 1.03 2.58 0.00 1.23 0.82 5 T C C 102.02 3.45 11.31 16.41 104.79 -136.38 -83.43 35.28 93.60 1.99 4.40 50.92 20.63 22.15 1.15 3.22 0.00 0.99 0.95 6 T C C 103.65 2.71 11.31 15.47 109.68 41.23 -94.54 93.32 92.25 2.01 5.73 43.16 29.79 19.54 1.83 3.69 0.00 0.94 1.06 7 A C C 60.45 7.03 9.73 18.24 116.71 -136.66 -88.43 138.57 89.42 1.43 9.15 63.51 22.26 3.89 5.96 3.00 0.00 0.66 0.72 8 P C C 92.41 4.67 11.98 18.23 109.77 -107.58 -69.02 141.09 79.95 2.20 17.85 65.52 6.88 7.58 10.94 6.84 0.00 1.32 0.92 9 V C C 98.22 5.75 11.11 18.38 112.09 -143.08 -91.82 126.23 68.42 5.79 25.79 47.05 11.97 9.09 16.28 9.93 0.02 3.54 2.11 10 A C C 66.09 6.65 11.43 19.46 114.09 -134.57 -90.39 134.34 64.50 7.60 27.90 44.73 11.69 7.88 18.87 9.54 0.02 5.19 2.08 11 A C C 71.46 5.63 12.34 19.50 110.71 -123.36 -83.32 130.75 69.06 6.86 24.08 51.26 10.17 6.98 17.55 7.32 0.01 4.88 1.82 12 V C C 85.91 7.81 11.45 20.51 114.99 -152.05 -93.82 130.10 72.98 6.56 20.46 52.22 12.57 7.58 16.04 5.27 0.02 4.36 1.93 13 S C C 68.37 6.17 12.41 20.01 112.57 -135.42 -87.18 132.48 78.39 5.43 16.18 56.66 12.63 8.54 12.05 4.80 0.01 3.59 1.72 14 K C C 129.35 5.89 11.75 19.30 110.19 -142.97 -89.75 115.09 79.38 5.86 14.77 57.04 13.13 8.73 10.16 5.09 0.01 3.56 2.29 15 K C C 138.87 4.17 12.43 18.41 110.71 -138.99 -86.13 124.40 77.94 5.03 17.02 43.86 14.33 20.27 9.24 7.40 0.02 2.95 1.92 16 G C C 47.16 5.85 12.91 20.04 110.81 14.24 88.43 70.73 82.37 2.75 14.87 41.45 18.05 23.63 6.55 7.66 0.01 1.44 1.21 17 K C C 121.14 7.03 12.71 21.04 112.87 -117.92 -90.98 128.28 82.29 3.01 14.70 50.55 19.12 12.81 6.79 7.70 0.01 1.51 1.51 18 K C C 119.05 7.00 12.99 21.30 113.76 -141.61 -89.98 132.79 82.84 3.24 13.91 52.70 16.64 13.48 7.44 6.45 0.01 1.61 1.68 19 S C C 72.37 6.35 13.63 21.28 111.65 -130.25 -85.75 128.60 80.82 2.07 17.11 44.47 16.52 20.06 8.55 8.29 0.01 0.99 1.11 20 G C C 44.35 7.16 15.25 23.00 106.92 14.42 64.20 -0.53 76.14 1.64 22.21 33.68 21.03 22.27 11.69 9.63 0.02 0.70 0.99 21 D C C 78.75 8.73 16.15 25.47 109.07 99.19 -89.48 105.12 73.16 1.69 25.16 38.65 21.60 13.41 17.04 7.63 0.01 0.68 0.97 22 T C C 53.83 9.33 20.09 29.80 114.40 -148.20 -88.45 153.72 65.59 2.33 32.08 42.81 16.54 6.29 29.17 3.12 0.01 0.83 1.23 23 I H H 15.80 23.45 17.04 39.69 93.68 -112.32 -63.23 -39.77 8.73 0.13 91.14 3.86 2.05 3.32 89.50 1.13 0.02 0.05 0.06 24 N H H 57.37 15.30 20.88 35.16 91.70 53.66 -63.14 -40.52 4.83 0.06 95.12 1.66 0.76 2.51 93.93 1.08 0.01 0.03 0.02 25 S H H 55.67 4.24 24.61 28.59 91.99 49.62 -65.84 -40.90 3.22 0.05 96.73 1.31 0.45 1.57 95.61 1.02 0.01 0.02 0.02 26 K H H 47.09 16.09 21.85 37.09 92.02 49.55 -65.69 -42.15 1.32 0.02 98.66 0.46 0.17 0.68 98.30 0.37 0.00 0.01 0.00 27 L H H 3.28 26.04 18.61 44.79 91.62 50.81 -63.84 -42.55 0.69 0.01 99.30 0.20 0.07 0.36 99.22 0.15 0.00 0.00 0.00 28 A H H 40.46 8.76 23.38 32.64 91.36 52.36 -62.57 -41.65 0.50 0.01 99.49 0.13 0.04 0.26 99.45 0.11 0.00 0.00 0.00 29 L H H 67.47 5.48 24.15 29.95 91.60 50.45 -64.32 -41.97 0.50 0.01 99.48 0.11 0.04 0.29 99.40 0.15 0.00 0.00 0.00 30 T H H 7.11 21.34 16.92 38.46 91.97 49.91 -64.30 -42.48 0.75 0.03 99.22 0.16 0.06 0.45 99.05 0.25 0.00 0.01 0.00 31 M H H 54.96 17.41 16.84 33.25 92.06 50.44 -64.38 -39.81 1.80 0.04 98.15 0.30 0.13 1.25 97.62 0.65 0.01 0.02 0.01 32 K H H 152.63 1.78 20.40 21.80 91.60 52.16 -66.96 -30.58 7.39 0.04 92.56 0.45 0.41 6.42 92.01 0.65 0.02 0.02 0.02 33 S H H 59.86 6.50 17.14 24.55 94.26 48.31 -85.25 -9.64 43.68 0.09 56.22 1.02 2.48 38.94 56.50 0.93 0.03 0.03 0.07 34 G C T 32.62 10.66 17.35 28.37 100.44 -109.67 82.78 9.47 99.17 0.52 0.31 6.64 24.44 68.18 0.08 0.16 0.00 0.42 0.08 35 K C C 91.46 10.85 21.47 32.15 104.45 109.83 -96.26 18.81 69.67 30.06 0.27 52.34 14.69 1.12 0.04 0.24 0.00 31.07 0.49 36 Y E E 34.46 21.86 17.65 38.79 125.10 76.00 -118.15 137.77 9.90 89.93 0.17 8.63 1.27 0.17 0.07 0.10 0.00 88.83 0.92 37 V E E 25.65 16.13 23.92 40.00 123.09 -164.39 -118.69 134.43 4.94 95.03 0.04 5.08 0.14 0.02 0.02 0.01 0.00 93.88 0.84 38 L E E 44.98 17.54 23.28 39.64 122.12 -160.29 -116.95 133.20 18.16 81.81 0.03 16.02 1.59 0.06 0.01 0.02 0.00 81.72 0.57 39 G C S 13.97 11.92 25.65 38.52 124.74 21.11 95.94 163.34 94.20 3.10 2.70 16.03 75.85 2.39 3.11 0.27 0.00 1.59 0.76 40 Y H H 41.90 21.72 17.46 38.24 91.93 -89.03 -60.93 -40.27 2.52 0.01 97.46 0.26 0.65 1.44 97.41 0.23 0.00 0.00 0.00 41 K H H 126.36 4.60 24.04 29.42 91.53 50.98 -63.05 -41.83 1.01 0.00 98.98 0.07 0.09 0.77 98.85 0.22 0.00 0.00 0.00 42 S H H 42.50 7.15 23.48 31.14 91.93 48.18 -65.75 -40.29 0.42 0.00 99.58 0.05 0.03 0.28 99.42 0.23 0.00 0.00 0.00 43 T H H 2.14 26.00 17.25 43.72 91.39 50.76 -63.79 -43.54 0.16 0.00 99.84 0.02 0.01 0.09 99.82 0.05 0.00 0.00 0.00 44 L H H 24.18 18.98 21.58 39.80 91.24 49.96 -63.50 -42.65 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 45 K H H 114.26 2.53 26.30 27.76 91.57 50.43 -63.80 -41.91 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 46 T H H 22.48 12.55 20.38 34.00 91.64 49.35 -64.31 -42.05 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 47 L H H 4.12 25.59 14.55 40.40 91.28 49.93 -63.75 -42.73 0.39 0.00 99.61 0.03 0.01 0.30 99.50 0.16 0.00 0.00 0.00 48 R H H 126.95 8.76 19.54 29.00 91.22 51.39 -64.68 -34.35 2.85 0.00 97.15 0.05 0.06 2.81 96.84 0.23 0.00 0.00 0.00 49 S C T 74.44 2.38 20.43 22.06 91.94 52.58 -82.69 -8.11 72.24 0.01 27.74 0.21 0.93 70.51 27.84 0.50 0.00 0.00 0.01 50 G C T 37.55 11.54 15.24 27.07 94.83 -115.01 79.25 11.53 99.66 0.01 0.33 0.70 2.60 96.50 0.14 0.05 0.00 0.00 0.00 51 K C S 113.61 5.51 22.05 28.34 94.96 122.52 -81.66 -16.68 99.58 0.32 0.10 40.96 57.02 1.64 0.03 0.07 0.00 0.13 0.15 52 A C C 4.68 25.06 13.14 38.19 120.75 70.94 -100.62 136.59 91.80 8.11 0.09 81.24 9.44 0.66 0.01 0.12 0.00 8.16 0.36 53 K C S 87.68 10.08 26.56 37.61 100.30 -171.91 -96.97 -26.95 89.86 10.13 0.01 17.54 71.87 0.28 0.00 0.01 0.00 10.17 0.12 54 L E E 9.99 21.51 26.35 47.12 135.11 17.42 -143.10 144.10 2.44 97.56 0.01 1.71 0.64 0.03 0.00 0.00 0.00 97.56 0.05 55 I E E 1.28 27.04 27.17 54.09 120.88 -161.56 -117.96 127.55 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 56 L E E 1.92 25.85 29.13 54.44 117.32 -160.92 -107.76 125.28 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 57 I E E 4.41 24.60 26.69 50.24 129.95 -176.20 -126.10 144.12 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 58 A E E 4.72 22.11 21.05 43.66 113.98 -113.45 -72.56 139.74 22.33 77.66 0.02 21.43 0.54 0.04 0.00 0.01 0.00 77.74 0.24 59 A C T 47.92 11.39 21.86 33.82 92.89 -126.71 -64.91 -26.08 93.43 6.10 0.46 3.13 20.65 70.15 0.02 0.49 0.00 5.20 0.36 60 N C T 95.13 5.40 22.54 28.90 94.83 58.64 -90.72 6.08 98.10 1.55 0.35 6.46 25.03 66.68 0.02 0.43 0.00 1.20 0.19 61 A C S 8.39 23.64 9.14 31.92 118.75 117.59 -74.37 145.78 98.61 1.27 0.12 43.37 55.17 0.21 0.05 0.04 0.00 0.37 0.79 62 P C C 57.74 4.96 18.43 24.43 114.43 -101.49 -63.27 148.36 99.86 0.05 0.09 99.38 0.46 0.06 0.05 0.01 0.00 0.01 0.03 63 P H H 99.95 3.65 14.50 19.92 91.84 -110.78 -57.60 -37.71 9.13 0.02 90.85 1.29 1.13 6.36 85.05 6.14 0.01 0.01 0.01 64 L H H 112.37 2.06 17.52 19.44 91.71 54.22 -64.58 -37.40 6.72 0.03 93.25 0.81 0.67 4.93 86.51 7.05 0.01 0.01 0.01 65 R H H 63.25 15.20 15.46 30.38 92.75 49.17 -69.49 -36.46 4.24 0.05 95.70 1.16 0.54 2.32 88.08 7.85 0.00 0.04 0.01 66 K H H 62.64 16.96 16.01 32.05 91.69 55.41 -61.63 -42.37 2.76 0.02 97.22 0.89 0.34 1.34 95.89 1.52 0.00 0.01 0.00 67 S H H 61.22 2.47 23.48 24.62 91.75 51.12 -64.04 -41.22 3.67 0.01 96.32 0.53 0.29 2.50 95.61 1.07 0.00 0.00 0.00 68 E H H 74.99 8.08 22.52 30.97 91.57 50.03 -64.75 -41.19 2.10 0.01 97.89 0.31 0.15 1.46 97.52 0.55 0.00 0.00 0.00 69 L H H 2.11 26.66 15.92 43.26 91.30 50.04 -64.15 -42.80 0.29 0.00 99.71 0.06 0.02 0.14 99.69 0.09 0.00 0.00 0.00 70 E H H 78.65 12.51 22.02 33.90 91.32 52.07 -62.15 -42.19 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 71 Y H H 126.34 2.31 25.20 25.83 91.60 49.89 -63.66 -42.61 0.08 0.00 99.92 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 72 Y H H 37.95 14.78 20.63 35.73 91.94 48.72 -64.70 -42.57 0.09 0.00 99.91 0.00 0.00 0.06 99.87 0.05 0.00 0.00 0.00 73 A H H 4.24 23.00 14.34 37.59 91.64 50.72 -63.30 -42.39 0.30 0.00 99.70 0.02 0.01 0.23 99.59 0.15 0.00 0.00 0.00 74 M H H 115.21 3.84 20.27 24.83 91.85 49.28 -64.51 -40.08 1.30 0.00 98.70 0.05 0.05 1.15 98.37 0.38 0.00 0.00 0.00 75 L H H 102.11 4.20 19.48 24.12 91.72 51.39 -66.26 -34.11 6.06 0.00 93.94 0.14 0.23 5.63 93.62 0.38 0.00 0.00 0.00 76 S C T 27.03 15.49 14.43 30.27 94.84 46.17 -89.10 -1.20 58.40 0.08 41.52 1.36 3.62 51.24 42.77 0.91 0.01 0.02 0.07 77 R C T 181.27 1.79 21.03 22.67 93.91 -122.61 59.15 38.58 99.41 0.05 0.53 8.00 3.93 87.64 0.28 0.10 0.00 0.03 0.02 78 C C C 14.18 21.84 11.88 33.23 125.18 143.16 -106.99 148.50 98.43 1.55 0.02 89.65 8.59 0.23 0.00 0.01 0.00 1.40 0.11 79 S C C 54.06 6.06 25.54 32.00 112.42 -106.94 -71.93 139.74 64.71 35.25 0.04 60.56 2.07 0.17 0.00 0.03 0.00 36.83 0.32 80 V E E 28.45 23.44 14.52 37.29 124.39 -159.34 -120.86 133.17 5.57 94.43 0.00 5.43 0.17 0.01 0.00 0.00 0.00 93.97 0.43 81 H E E 56.18 12.74 23.93 36.63 120.87 -167.58 -114.49 130.60 0.65 99.35 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.33 0.04 82 H E E 88.10 13.65 22.00 35.01 117.65 -150.80 -100.11 128.47 2.10 97.89 0.00 2.04 0.06 0.00 0.00 0.00 0.00 97.80 0.10 83 Y E E 34.60 20.02 14.22 33.82 122.15 -166.00 -111.77 138.45 37.59 62.34 0.07 35.57 1.17 0.13 0.02 0.05 0.00 62.47 0.60 84 S C C 81.21 3.44 21.54 25.29 103.73 -160.77 -98.57 22.53 82.07 17.70 0.23 46.65 30.76 3.85 0.03 0.23 0.00 17.96 0.53 85 G C S 26.77 9.94 18.39 28.75 133.50 68.64 143.32 -174.50 93.92 5.53 0.55 16.11 72.80 5.26 0.11 0.37 0.00 4.58 0.77 86 N C C 75.75 6.41 23.50 29.87 125.52 -65.70 -102.19 159.10 94.83 2.56 2.60 78.00 15.24 1.43 2.28 0.52 0.00 1.08 1.45 87 N H H 35.23 21.51 15.21 35.80 92.64 -109.28 -61.54 -35.80 8.23 0.07 91.71 1.75 2.43 4.08 90.58 1.08 0.02 0.02 0.03 88 I H H 83.58 8.56 22.00 30.74 92.38 54.10 -65.04 -41.40 4.40 0.06 95.54 0.81 0.69 2.84 94.50 1.09 0.02 0.03 0.02 89 D H H 68.82 5.42 24.08 29.56 92.07 49.43 -65.81 -40.63 2.73 0.11 97.16 0.82 0.44 1.56 95.77 1.29 0.02 0.07 0.02 90 L H H 6.00 22.54 17.03 39.87 91.85 50.51 -63.86 -42.86 1.47 0.06 98.47 0.36 0.22 0.87 97.57 0.93 0.01 0.04 0.01 91 G H H 6.95 16.83 17.24 34.89 91.59 51.23 -63.07 -42.19 2.37 0.05 97.58 0.50 0.28 1.51 96.50 1.16 0.01 0.03 0.01 92 T H H 86.29 3.11 22.02 24.89 92.08 50.01 -65.07 -40.74 2.92 0.04 97.03 0.46 0.29 2.09 95.31 1.79 0.01 0.03 0.01 93 A H H 43.42 11.77 17.93 30.05 92.11 53.02 -66.67 -33.17 7.44 0.05 92.51 0.40 0.52 6.54 90.89 1.57 0.03 0.02 0.02 94 C C T 25.83 17.61 14.94 32.56 94.79 41.44 -89.87 -4.08 55.55 0.08 44.37 0.76 2.13 52.26 42.79 1.94 0.02 0.03 0.07 95 G C T 56.26 2.28 20.40 22.32 94.07 -113.76 77.82 13.60 98.83 0.04 1.13 3.14 5.36 90.59 0.56 0.31 0.00 0.02 0.02 96 K C S 81.28 10.10 14.12 25.41 131.34 112.51 -119.47 156.03 98.25 0.87 0.88 45.47 50.13 2.68 0.35 0.49 0.00 0.32 0.55 97 L C C 109.00 5.43 18.66 24.89 103.28 -122.64 -80.07 47.42 96.26 2.14 1.60 62.22 30.66 3.33 0.41 1.26 0.00 1.05 1.06 98 F C C 60.05 15.71 17.03 32.32 129.11 79.60 -121.87 151.42 92.64 4.96 2.40 62.57 25.21 4.66 0.68 1.96 0.00 3.24 1.69 99 R C C 107.66 11.10 24.27 34.98 109.23 -110.97 -83.16 120.67 88.34 9.52 2.15 59.28 23.89 5.15 0.55 1.78 0.00 7.52 1.82 100 V C C 10.06 24.18 19.37 43.19 124.01 -164.35 -114.21 137.63 70.17 28.30 1.53 59.54 8.72 1.58 0.59 1.03 0.00 25.38 3.16 101 G C S 12.09 17.69 26.07 43.41 98.89 -170.90 -91.44 -32.09 72.80 26.60 0.60 21.74 49.32 1.51 0.13 0.35 0.00 26.52 0.42 102 V E E 9.98 21.79 27.05 48.42 134.42 9.76 -144.46 141.89 8.85 90.44 0.71 7.04 1.49 0.33 0.25 0.25 0.00 90.37 0.27 103 L E E 3.96 26.02 26.13 51.49 124.47 -166.47 -124.79 133.53 1.74 97.62 0.64 1.51 0.13 0.04 0.53 0.07 0.00 97.68 0.05 104 A E E 9.08 20.93 28.22 48.04 123.20 -163.27 -114.74 133.61 0.97 98.47 0.56 0.80 0.05 0.03 0.58 0.05 0.00 98.47 0.02 105 V E E 8.27 23.23 21.48 44.56 114.09 -154.52 -101.60 121.61 2.69 96.93 0.37 2.56 0.10 0.04 0.42 0.06 0.00 96.65 0.18 106 I E E 59.44 12.92 23.00 35.71 100.51 -175.25 -90.82 -26.87 48.51 50.40 1.09 25.74 21.34 2.22 0.58 0.47 0.00 49.08 0.58 107 D C S 70.96 7.33 22.85 30.58 118.85 31.69 -129.87 113.56 83.12 14.20 2.69 25.70 48.72 8.31 1.30 1.26 0.01 13.56 1.14 108 A C T 39.29 17.21 14.75 31.22 97.74 -159.61 -70.83 -20.57 66.89 3.57 29.54 23.56 16.50 27.72 19.43 9.24 0.10 2.35 1.10 109 G C T 36.30 6.79 20.23 27.54 96.95 66.78 -57.69 -42.11 60.64 1.49 37.87 18.14 14.17 29.13 27.92 9.02 0.09 0.83 0.70 110 D H H 60.79 11.35 17.91 29.38 96.89 45.30 -86.98 -3.43 43.61 1.23 55.16 24.45 7.80 12.33 44.65 9.57 0.03 0.68 0.49 111 S H H 21.62 18.92 13.07 31.22 95.08 84.82 -66.99 -35.40 23.51 0.77 75.72 12.93 4.76 7.39 66.31 7.88 0.03 0.44 0.26 112 D H H 97.98 2.84 21.51 24.04 93.38 59.44 -66.65 -35.24 17.02 0.92 82.06 8.58 3.28 6.41 72.35 8.47 0.04 0.64 0.24 113 I H H 59.93 10.55 16.65 28.08 93.32 55.50 -66.99 -39.05 15.06 1.35 83.58 6.93 2.76 6.34 74.38 8.17 0.05 1.09 0.28 114 L H H 34.25 18.97 12.82 30.86 93.56 53.31 -69.44 -33.69 20.04 2.22 77.74 8.18 3.65 9.36 70.52 5.93 0.11 1.74 0.51 115 A H H 69.58 6.20 15.20 22.51 95.84 56.65 -77.21 -18.31 43.39 2.51 54.10 22.21 2.38 18.94 51.02 2.95 0.02 1.50 0.98 116 A C C 69.95 4.78 14.81 20.84 107.33 81.76 -79.68 107.33 99.64 0.08 0.28 99.01 0.20 0.44 0.28 0.01 0.00 0.05 0.01