# 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 114.13 5.48 11.42 18.40 117.17 -165.95 -97.59 134.06 99.88 0.10 0.01 99.84 0.07 0.02 0.01 0.00 0.00 0.05 0.01 1 T C C 90.53 4.12 9.01 15.01 117.18 -148.01 -95.24 139.91 86.00 5.38 8.62 81.23 1.49 3.67 6.55 1.68 0.00 2.94 2.44 2 K C C 143.75 2.98 9.08 13.91 113.58 -134.07 -92.78 134.15 77.15 8.98 13.87 53.31 17.05 6.50 10.64 3.73 0.02 4.98 3.77 3 K C C 140.83 3.12 9.94 14.84 112.85 -128.31 -86.55 133.63 74.79 9.17 16.04 55.52 12.82 5.95 11.50 5.06 0.02 5.95 3.18 4 R C C 141.97 5.44 10.09 17.17 113.37 -132.72 -88.73 130.67 70.06 10.88 19.07 51.51 10.44 7.38 12.71 6.76 0.03 6.97 4.21 5 R C C 143.02 4.76 12.69 18.94 114.14 -149.99 -94.78 131.49 69.28 11.81 18.91 42.33 14.53 12.36 11.49 7.35 0.10 7.21 4.63 6 N C C 76.20 9.19 10.92 21.14 112.08 -129.55 -97.29 115.01 74.59 11.02 14.39 43.98 15.52 15.25 7.59 6.39 0.07 6.28 4.92 7 N C C 91.35 5.84 13.37 20.54 103.82 -175.63 -101.85 23.20 82.70 7.12 10.18 43.85 20.91 18.59 4.48 5.08 0.02 3.60 3.46 8 G C T 41.38 6.68 12.91 20.62 102.44 -114.82 69.06 -39.75 80.16 2.72 17.11 19.72 28.32 33.22 5.15 10.71 0.03 1.33 1.51 9 R C T 148.56 3.96 14.81 19.68 101.95 61.42 -86.47 -3.82 68.25 6.52 25.23 22.93 21.82 25.15 7.39 15.91 0.21 3.44 3.14 10 A C C 48.59 9.44 10.44 20.93 111.49 88.32 -86.42 127.31 63.19 10.29 26.52 32.83 14.94 16.65 7.74 17.79 0.11 6.40 3.54 11 K C C 136.67 3.88 12.91 18.20 109.06 -130.40 -91.21 98.60 63.07 13.66 23.27 32.99 15.00 16.08 7.67 14.91 0.17 8.32 4.87 12 K C T 143.84 3.00 11.43 15.90 113.27 59.17 -95.70 126.67 72.05 10.84 17.11 20.35 20.97 31.49 5.07 11.18 0.26 6.52 4.16 13 G C T 51.56 3.27 11.72 16.14 110.00 6.57 85.43 -59.29 86.80 3.77 9.43 18.68 25.38 42.38 1.49 8.31 0.01 2.39 1.36 14 R C T 169.07 2.54 11.64 15.49 106.30 0.87 -89.47 51.13 84.60 5.88 9.52 27.93 25.96 30.81 1.30 8.27 0.01 2.94 2.79 15 G C S 44.23 5.55 12.49 19.32 106.47 -40.47 80.72 -8.31 86.56 6.93 6.50 27.91 30.48 28.26 0.76 6.02 0.00 4.06 2.51 16 H C C 108.98 6.73 13.70 21.58 109.02 81.81 -89.52 97.38 83.59 12.71 3.71 38.91 30.16 14.64 0.64 3.37 0.01 7.21 5.06 17 V C C 63.79 11.54 13.42 25.61 114.36 -145.50 -98.49 130.56 79.24 19.91 0.85 61.55 15.15 1.83 0.28 0.63 0.00 9.48 11.09 18 Q C C 93.11 7.05 18.78 26.54 120.66 -152.76 -101.69 140.66 89.97 9.98 0.04 82.08 8.03 0.17 0.01 0.03 0.00 8.46 1.21 19 P C C 54.65 12.66 17.42 30.36 115.84 -103.14 -68.70 148.44 84.98 14.99 0.03 82.25 2.97 0.12 0.00 0.03 0.00 13.56 1.07 20 I E E 28.21 17.57 16.86 34.86 121.52 -149.80 -112.18 135.81 18.00 81.99 0.01 16.76 1.11 0.03 0.00 0.01 0.00 78.11 3.97 21 R E E 110.62 8.22 22.09 30.80 116.97 -134.25 -97.04 131.62 6.79 93.19 0.02 6.76 0.25 0.01 0.02 0.01 0.00 75.58 17.39 22 C C C 12.81 20.17 12.33 33.06 110.89 -121.04 -75.75 128.22 74.57 25.39 0.04 75.56 0.69 0.07 0.01 0.03 0.00 21.58 2.06 23 T C T 73.12 7.54 18.88 27.47 93.84 -150.92 -71.24 -23.74 98.94 0.56 0.50 1.86 14.68 82.27 0.02 0.62 0.00 0.43 0.12 24 N C T 92.31 6.03 17.89 24.59 100.87 43.64 -89.79 -36.03 99.13 0.28 0.58 0.57 11.30 87.21 0.02 0.65 0.00 0.18 0.07 25 C C T 56.29 8.07 16.05 25.09 103.07 16.01 -112.82 -11.29 98.51 0.76 0.73 7.39 36.17 54.69 0.04 0.96 0.00 0.43 0.32 26 A C C 54.68 9.44 16.63 26.96 95.67 -127.79 72.19 10.47 97.84 2.00 0.16 72.47 20.12 5.28 0.02 0.18 0.00 1.27 0.66 27 C C C 50.70 8.45 20.05 29.41 121.63 129.92 -81.65 150.73 85.25 14.67 0.08 74.60 10.70 0.34 0.02 0.07 0.00 12.62 1.64 28 C E E 44.55 14.47 19.27 33.76 115.85 -114.16 -83.34 136.18 9.34 90.60 0.05 7.11 1.97 0.11 0.03 0.03 0.00 66.26 24.49 29 V E E 13.39 18.95 16.29 35.83 129.57 -173.64 -129.71 146.18 29.22 70.77 0.01 26.43 2.61 0.04 0.00 0.01 0.00 68.10 2.81 30 P C C 46.62 6.70 21.53 29.32 113.33 -100.00 -64.12 142.81 53.04 46.93 0.03 54.56 0.81 0.03 0.01 0.01 0.00 41.36 3.21 31 K H G 86.65 15.49 13.15 28.27 91.21 -120.69 -57.88 -35.75 38.74 0.60 60.66 1.15 3.49 32.75 1.49 60.61 0.00 0.41 0.10 32 D H G 116.99 1.59 19.97 21.08 90.44 61.16 -69.46 -18.50 38.33 0.54 61.13 0.63 2.78 33.97 2.00 60.19 0.00 0.33 0.10 33 K H G 101.99 7.80 18.07 26.70 96.95 50.31 -98.65 -1.74 33.45 1.29 65.26 3.19 5.16 24.66 3.83 62.05 0.00 0.93 0.17 34 A C C 13.15 21.83 11.98 33.17 114.75 100.21 -80.62 139.44 66.25 30.31 3.44 54.61 9.31 1.82 2.04 1.58 0.01 27.12 3.52 35 I E E 55.72 12.24 18.08 31.02 116.86 -144.78 -102.65 129.64 17.13 82.60 0.27 15.42 1.28 0.16 0.24 0.11 0.00 78.41 4.39 36 K E E 113.77 8.96 17.74 27.45 109.91 -152.42 -92.87 119.90 18.98 80.78 0.24 15.05 3.25 0.20 0.14 0.09 0.00 80.96 0.31 37 K E E 104.49 6.61 18.35 25.93 128.94 19.46 -132.47 142.90 15.47 84.06 0.47 13.09 1.71 0.20 0.27 0.15 0.00 84.34 0.24 38 F E E 78.52 14.03 13.44 27.66 123.49 -157.67 -117.31 136.38 7.97 91.78 0.25 7.62 0.33 0.05 0.18 0.06 0.00 91.36 0.39 39 V E E 64.73 7.54 17.09 26.16 118.47 -156.46 -111.52 127.80 8.45 91.35 0.20 7.95 0.39 0.05 0.17 0.04 0.00 90.97 0.43 40 I E E 73.73 10.51 12.73 24.56 115.51 -150.82 -98.47 126.65 21.37 78.27 0.36 19.62 1.16 0.18 0.22 0.13 0.00 78.09 0.60 41 R C E 125.77 6.14 13.85 21.43 114.62 -162.27 -102.35 129.07 51.85 46.85 1.29 39.09 11.12 1.32 0.83 0.52 0.00 46.05 1.07 42 N C C 81.49 4.88 13.40 19.56 117.19 -103.81 -100.80 140.52 75.33 22.10 2.57 61.54 11.63 1.39 2.21 0.72 0.00 20.31 2.19 43 I H H 104.13 5.57 11.92 19.06 94.27 -124.28 -63.17 -36.29 13.85 1.33 84.82 6.33 3.84 5.38 80.00 3.06 0.07 1.05 0.27 44 V H H 99.37 1.94 14.52 16.41 93.67 54.00 -66.22 -39.63 9.99 1.31 88.70 4.14 2.02 4.96 83.19 4.15 0.10 1.22 0.22 45 E H H 92.11 4.42 13.98 19.68 93.60 49.83 -68.81 -37.57 8.31 1.60 90.09 4.21 1.50 3.64 83.01 5.74 0.07 1.60 0.22 46 A H H 32.83 9.61 10.93 22.05 92.89 55.08 -65.76 -37.38 7.81 1.26 90.94 3.60 1.28 3.59 84.48 5.57 0.06 1.25 0.17 47 A H H 61.94 3.84 14.31 19.25 93.05 55.89 -66.90 -31.82 17.22 1.59 81.19 4.28 1.96 11.19 74.01 6.67 0.15 1.45 0.29 48 A H H 71.77 2.64 13.78 17.14 94.08 58.45 -72.85 -21.85 30.59 2.20 67.21 6.04 3.28 20.76 61.49 5.93 0.19 1.83 0.49 49 V H H 75.74 7.45 10.62 19.26 106.08 60.18 -92.58 25.18 41.20 8.25 50.56 17.18 7.68 17.47 44.65 4.75 0.24 5.99 2.02 50 R C H 155.91 3.77 12.49 17.81 101.96 127.20 -75.06 -24.64 61.83 6.46 31.71 21.78 15.59 23.92 27.85 4.65 0.18 4.40 1.63 51 D C C 88.81 3.36 13.39 17.67 108.30 33.78 -103.35 91.53 70.66 3.94 25.40 40.45 8.13 21.41 21.30 4.91 0.03 2.54 1.24 52 I H H 78.42 10.79 9.28 20.66 95.69 127.63 -69.10 -27.67 23.02 1.27 75.71 10.16 3.64 8.61 48.31 28.06 0.05 0.84 0.33 53 S H H 79.20 3.06 13.04 17.42 93.47 66.06 -70.11 -23.57 20.74 0.95 78.31 4.36 2.66 11.83 49.02 31.11 0.11 0.68 0.24 54 E H H 132.55 2.07 14.49 16.85 95.84 54.06 -81.14 -14.28 22.22 1.22 76.56 4.51 3.33 12.77 47.93 30.07 0.23 0.82 0.34 55 V H H 59.63 9.86 10.46 21.34 110.14 66.30 -92.14 104.55 44.00 4.38 51.62 16.83 15.53 14.48 38.58 10.06 0.41 2.32 1.81 56 S C C 49.13 7.05 13.15 21.67 116.49 -144.08 -91.49 144.48 68.14 14.83 17.03 47.62 10.52 9.00 13.36 4.63 0.06 7.42 7.40 57 V C T 81.84 8.07 12.65 21.77 95.83 -138.18 -70.57 -25.66 64.30 11.41 24.29 19.00 20.10 26.27 15.43 7.97 0.72 6.85 3.67 58 F C T 121.84 5.02 13.52 19.79 97.90 56.96 -82.42 -18.86 63.38 12.06 24.55 17.55 19.04 27.99 14.71 8.55 0.91 6.95 4.30 59 D C C 88.80 5.01 13.74 19.93 99.60 53.44 -83.03 -2.13 64.55 7.32 28.13 30.59 14.93 20.09 15.38 11.97 0.23 4.12 2.69 60 A C T 54.32 8.09 11.98 21.14 101.23 64.55 -83.43 -7.09 63.54 5.62 30.84 17.65 16.19 30.11 16.12 14.11 0.37 3.40 2.04 61 Y C T 136.66 5.77 13.61 20.53 105.75 58.99 -93.17 20.17 57.68 15.03 27.29 20.21 15.60 23.38 14.28 12.00 0.85 9.82 3.86 62 V C C 82.61 6.66 13.88 21.73 110.01 85.34 -96.90 77.42 51.34 25.29 23.37 27.63 14.21 10.99 15.05 7.99 0.91 15.99 7.24 63 L C C 66.33 11.31 11.53 23.61 116.22 116.58 -91.93 135.47 63.47 17.29 19.25 39.90 17.52 6.62 13.60 5.90 0.17 12.26 4.03 64 P C C 69.11 7.33 13.91 22.63 108.02 -108.11 -67.42 140.20 67.00 10.33 22.67 45.17 9.85 11.68 12.17 10.66 0.03 8.53 1.91 65 K C C 126.89 5.72 15.27 22.00 99.11 -126.52 -74.28 -16.66 57.85 11.56 30.59 21.22 18.30 20.86 13.06 15.80 0.25 8.43 2.10 66 L C C 77.24 9.53 14.96 25.10 105.19 70.77 -90.24 14.66 50.24 20.85 28.91 20.95 14.60 17.79 12.99 13.97 0.17 17.76 1.78 67 Y E E 79.87 12.79 15.92 29.01 117.61 89.43 -107.73 130.70 32.20 48.81 18.99 21.52 7.64 5.40 10.63 6.96 0.08 46.18 1.60 68 V E E 38.11 14.96 17.19 32.53 123.05 -164.82 -114.02 134.78 18.45 72.86 8.69 14.49 2.40 1.21 7.46 1.27 0.01 72.35 0.80 69 K E E 82.15 11.98 21.48 33.35 118.48 -150.70 -105.30 129.55 10.97 81.43 7.60 9.06 0.88 0.65 7.26 0.71 0.00 80.88 0.55 70 L E E 27.63 19.22 19.14 37.96 119.88 -157.95 -107.63 131.65 12.58 78.79 8.63 10.31 1.02 0.66 8.21 0.73 0.00 78.66 0.41 71 H E E 46.50 14.77 23.16 37.83 122.18 -163.92 -112.55 134.28 13.84 78.91 7.25 10.91 1.82 1.11 6.69 0.96 0.01 77.69 0.81 72 Y E E 30.37 19.97 21.25 40.49 123.27 -162.20 -114.08 137.76 25.15 67.81 7.04 20.46 2.75 1.46 5.87 1.34 0.02 66.55 1.56 73 C C C 17.94 17.29 23.09 40.01 111.68 -135.38 -87.82 127.61 53.22 34.76 12.02 47.67 3.19 1.58 10.59 1.67 0.00 33.59 1.69 74 V H H 29.42 18.85 21.26 39.28 94.73 -138.08 -66.68 -34.80 19.68 3.68 76.65 9.40 4.13 7.50 59.19 15.75 0.22 3.29 0.52 75 S H H 38.43 9.85 22.95 33.45 91.76 59.08 -64.57 -38.82 13.66 2.59 83.75 4.75 2.74 6.76 63.31 19.52 0.16 2.40 0.35 76 C H H 26.43 12.64 20.37 33.77 92.33 51.95 -67.26 -37.72 9.55 1.85 88.59 3.54 1.93 4.48 66.71 21.31 0.07 1.73 0.22 77 A H H 10.41 18.06 16.28 34.79 92.54 54.67 -65.52 -39.58 12.08 6.14 81.78 6.17 2.36 4.70 68.90 11.60 0.16 5.25 0.85 78 I H H 67.94 10.23 17.85 28.56 92.80 52.16 -66.86 -40.34 16.98 10.66 72.36 7.08 3.20 8.49 63.55 6.98 0.50 8.59 1.61 79 H H H 114.42 4.80 17.86 23.39 94.07 48.62 -73.86 -30.62 28.56 6.05 65.38 7.27 4.65 17.51 59.14 4.79 0.90 4.20 1.53 80 S C T 45.74 8.68 13.69 23.71 97.27 51.53 -88.25 -2.09 71.17 1.07 27.76 8.58 11.90 47.99 27.22 3.14 0.10 0.52 0.55 81 K C T 142.52 4.20 16.54 22.19 95.09 -124.19 61.44 23.61 77.25 1.64 21.11 8.09 11.66 55.53 19.58 3.27 0.15 0.94 0.78 82 V C T 55.11 10.63 15.28 26.81 98.27 118.89 -86.25 -21.94 66.08 9.67 24.25 15.37 20.39 30.48 19.39 4.64 0.86 5.58 3.29 83 V C S 46.67 15.12 12.99 27.75 113.70 56.08 -104.04 133.13 64.04 12.46 23.49 22.19 23.42 19.47 17.62 5.26 0.59 7.67 3.78 84 R C C 133.88 5.95 17.22 24.07 114.01 4.95 -93.34 129.89 70.38 10.53 19.09 38.21 18.92 13.67 14.66 4.82 0.11 6.54 3.07 85 N C C 84.99 9.15 14.09 24.10 108.14 -129.73 -87.10 102.02 81.44 5.40 13.16 56.20 15.26 9.21 10.64 3.42 0.01 3.45 1.81 86 R C C 112.56 8.88 12.72 22.61 113.52 155.18 -91.04 127.17 85.91 3.04 11.05 65.63 13.97 5.42 9.93 2.07 0.00 1.60 1.37 87 S C C 47.38 6.09 13.12 20.92 114.87 -112.86 -77.01 144.46 86.55 1.43 12.01 77.45 5.70 2.64 11.68 1.21 0.00 0.57 0.74 88 R H H 151.35 3.56 12.76 17.99 93.57 -131.65 -62.14 -36.32 14.22 0.23 85.54 6.36 3.65 5.48 80.46 3.82 0.02 0.11 0.09 89 E H H 117.68 1.81 15.05 16.65 92.30 53.94 -64.73 -39.97 9.37 0.28 90.35 3.13 1.76 5.10 83.82 5.91 0.03 0.19 0.07 90 A H H 32.25 7.89 11.42 21.40 92.05 51.00 -65.04 -38.86 7.42 0.33 92.25 2.95 1.20 3.67 84.40 7.43 0.02 0.27 0.06 91 R H H 100.18 8.71 11.71 21.67 91.97 53.20 -67.45 -34.26 9.77 0.33 89.90 3.54 1.54 5.11 82.37 7.09 0.03 0.21 0.09 92 K H H 141.70 1.91 14.62 16.94 92.50 55.36 -69.27 -27.86 26.89 0.43 72.69 4.74 3.83 18.63 67.38 4.88 0.11 0.20 0.23 93 D C H 98.68 2.92 13.66 17.37 97.61 50.96 -88.91 -0.03 57.56 0.53 41.92 13.94 9.37 33.37 39.90 2.86 0.03 0.19 0.32 94 R C C 117.33 9.30 9.91 20.09 105.38 103.37 -78.90 76.01 91.20 2.76 6.04 63.96 19.05 7.71 4.85 1.24 0.00 0.92 2.26 95 T C C 84.30 4.13 13.18 18.95 118.90 -162.20 -102.68 136.34 96.72 2.94 0.34 72.62 23.26 0.70 0.19 0.12 0.00 0.85 2.26 96 P C C 85.99 4.89 12.39 19.05 116.82 -103.70 -67.16 150.04 99.51 0.42 0.07 88.11 11.06 0.35 0.02 0.03 0.00 0.15 0.27 97 P C C 71.98 7.42 10.59 19.69 116.21 -99.29 -65.10 151.21 99.44 0.22 0.33 92.44 5.43 1.55 0.06 0.26 0.00 0.09 0.16 98 P C C 89.49 4.65 11.90 18.35 111.12 -99.79 -66.33 145.91 96.56 0.58 2.86 72.38 13.32 9.93 0.31 3.43 0.00 0.29 0.35 99 R C C 165.11 3.29 12.13 17.03 105.25 -129.58 -83.16 25.78 93.38 2.94 3.68 52.04 28.77 11.86 0.41 3.97 0.00 1.48 1.46 100 F C C 119.46 6.75 10.67 18.88 116.16 58.05 -99.85 128.74 89.85 8.07 2.08 66.57 18.01 4.23 0.46 1.89 0.00 3.72 5.13 101 R C C 124.75 6.25 11.05 19.16 122.17 -163.53 -109.27 140.15 94.04 5.80 0.15 80.72 13.05 0.30 0.06 0.09 0.00 3.32 2.45 102 P C C 82.62 3.97 11.48 17.18 115.41 -104.55 -64.33 150.02 90.94 8.19 0.87 85.59 3.20 1.45 0.27 0.52 0.00 3.09 5.88 103 A C T 88.62 2.64 9.96 14.55 108.91 -96.99 -65.76 138.17 97.45 0.82 1.73 7.27 12.80 77.03 0.24 1.65 0.00 0.49 0.51 104 G C T 64.47 0.79 12.29 12.63 99.97 20.82 82.44 -1.45 97.80 0.60 1.60 8.93 12.87 75.72 0.18 1.67 0.00 0.40 0.22 105 A C C 57.80 6.24 8.73 16.86 115.61 127.10 -80.45 145.95 96.25 2.69 1.06 76.46 17.33 1.79 0.25 0.86 0.00 0.84 2.47 106 A C C 73.73 3.80 10.93 16.37 118.85 -114.78 -83.08 145.54 98.14 1.78 0.09 88.41 9.42 0.19 0.03 0.04 0.00 0.58 1.32 107 P C C 85.49 5.39 10.19 17.56 116.78 -103.22 -65.33 149.64 99.00 0.96 0.05 95.31 3.55 0.17 0.01 0.02 0.00 0.32 0.62 108 P C C 98.44 3.52 10.43 15.98 114.85 -103.93 -72.85 146.92 99.27 0.70 0.03 92.76 6.29 0.13 0.01 0.02 0.00 0.19 0.60 109 P C C 100.46 2.71 10.52 15.05 116.24 -98.07 -67.70 150.83 99.67 0.30 0.03 87.76 11.66 0.24 0.01 0.02 0.00 0.10 0.21 110 P C C 96.76 2.94 9.93 14.81 116.16 -98.34 -64.42 150.33 99.75 0.20 0.05 87.90 11.11 0.75 0.01 0.04 0.00 0.07 0.13 111 P C C 99.70 3.60 8.45 14.16 112.49 -100.73 -66.62 146.67 99.02 0.75 0.23 80.19 16.02 2.74 0.06 0.19 0.00 0.31 0.49 112 K C C 155.01 1.71 8.88 12.29 115.54 -112.70 -88.52 137.72 95.73 4.07 0.20 74.31 20.44 0.88 0.06 0.14 0.00 2.18 1.99 113 P C C 110.78 2.05 8.48 12.39 112.40 -102.47 -65.15 144.18 93.21 6.38 0.42 90.51 1.60 1.42 0.13 0.20 0.00 3.10 3.04 114 M C C 135.72 3.54 9.28 14.44 104.83 -119.90 -79.71 39.40 99.86 0.12 0.02 99.77 0.10 0.05 0.00 0.00 0.00 0.05 0.02