# 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 112.91 5.71 11.64 18.76 117.18 -165.55 -97.27 133.66 99.88 0.11 0.01 99.83 0.07 0.03 0.01 0.00 0.00 0.05 0.01 1 T C C 88.50 4.44 9.12 15.40 117.58 -144.49 -94.93 140.99 85.79 5.35 8.86 81.00 1.50 3.67 6.80 1.65 0.00 2.86 2.52 2 K C C 143.51 2.98 9.22 14.01 113.42 -133.30 -92.37 129.76 76.69 8.64 14.68 52.71 16.96 6.71 11.32 3.80 0.02 4.73 3.75 3 K C C 141.12 3.07 9.91 14.76 111.71 -131.03 -86.54 133.74 73.80 9.17 17.03 53.97 13.08 6.32 12.24 5.25 0.02 5.91 3.22 4 R C C 141.06 5.48 10.08 17.19 113.01 -128.53 -89.20 131.19 69.26 11.50 19.23 50.53 10.53 7.45 12.99 6.62 0.04 7.42 4.43 5 R C C 144.12 4.59 12.88 18.94 113.63 -147.94 -93.91 130.06 68.36 12.66 18.99 41.57 14.65 12.05 11.83 7.09 0.12 7.68 5.00 6 N C C 73.45 9.87 10.69 21.42 111.74 -130.00 -97.08 113.50 74.18 11.58 14.24 44.45 15.11 14.53 7.85 6.11 0.06 6.56 5.33 7 N C C 93.15 5.54 13.54 20.40 103.35 -177.28 -102.04 20.32 81.70 7.79 10.51 44.80 19.80 17.60 4.77 5.17 0.03 3.99 3.84 8 G C T 42.42 6.57 12.97 20.56 103.52 -112.87 69.67 -46.86 79.96 2.45 17.59 17.14 27.66 36.18 5.08 11.32 0.03 1.23 1.34 9 R C T 150.44 3.81 15.28 19.84 100.39 64.78 -88.45 -5.81 70.90 6.07 23.03 21.34 23.05 27.92 7.02 14.29 0.17 3.20 3.01 10 A C C 43.21 10.40 10.09 21.40 113.63 91.73 -87.60 131.61 65.42 11.96 22.62 37.02 14.85 14.07 7.66 14.52 0.12 7.02 4.75 11 K C C 138.51 3.66 13.13 18.21 105.19 -150.71 -89.16 32.91 65.96 14.59 19.45 35.76 15.29 15.30 7.00 12.19 0.15 8.75 5.55 12 K C T 145.13 2.84 11.73 15.88 113.35 52.05 -93.11 128.23 72.05 11.11 16.84 19.05 20.75 32.95 4.69 11.39 0.25 6.71 4.21 13 G C T 52.18 3.16 11.80 16.09 110.13 -0.46 81.17 -41.34 85.97 3.91 10.11 18.37 24.90 42.31 1.67 8.87 0.01 2.47 1.40 14 R C T 165.99 2.73 11.73 15.77 105.18 -2.68 -90.04 37.61 84.98 5.54 9.48 25.90 26.89 32.25 1.30 8.22 0.01 2.76 2.67 15 G C S 44.72 5.34 12.86 19.46 104.75 -58.62 81.74 -6.18 87.12 6.92 5.97 25.38 33.38 28.44 0.69 5.50 0.01 4.15 2.45 16 H C C 103.95 7.00 13.58 21.81 114.80 93.74 -90.92 130.24 82.36 14.33 3.31 39.92 29.47 13.19 0.61 3.01 0.01 7.95 5.85 17 V C C 66.16 11.10 13.57 25.45 113.76 -143.54 -97.06 127.62 78.87 20.29 0.84 61.87 14.24 1.82 0.28 0.60 0.00 9.56 11.62 18 Q C C 92.54 7.09 18.62 26.44 120.83 -139.38 -101.56 141.38 90.84 9.12 0.05 82.04 8.92 0.17 0.01 0.03 0.00 7.64 1.19 19 P C C 54.62 12.33 17.77 30.40 115.59 -100.86 -68.16 148.17 87.57 12.40 0.04 83.85 3.76 0.14 0.00 0.03 0.00 11.34 0.86 20 I E E 26.12 18.05 16.94 35.38 121.84 -150.28 -112.75 135.89 19.18 80.80 0.01 17.99 1.22 0.03 0.00 0.01 0.00 77.61 3.13 21 R E E 104.78 8.67 22.51 31.62 117.21 -135.43 -97.64 131.91 5.09 94.89 0.01 5.04 0.18 0.00 0.01 0.00 0.00 74.47 20.29 22 C C C 11.09 20.50 12.86 34.12 109.62 -118.94 -72.40 127.41 74.52 25.44 0.03 75.99 0.56 0.05 0.01 0.02 0.00 21.49 1.89 23 T C T 66.79 8.47 19.30 28.80 93.59 -150.40 -71.05 -24.19 99.26 0.39 0.35 1.03 10.20 87.95 0.01 0.44 0.00 0.29 0.08 24 N C T 87.74 6.80 18.24 25.63 101.09 41.33 -88.74 -38.86 99.39 0.19 0.42 0.27 6.43 92.66 0.01 0.46 0.00 0.12 0.04 25 C C T 54.86 7.93 16.53 25.44 102.84 15.82 -114.07 -9.94 99.12 0.39 0.49 5.14 23.82 69.98 0.03 0.64 0.00 0.23 0.16 26 A C C 54.56 9.83 16.33 27.03 95.53 -127.99 71.70 11.22 98.85 1.04 0.11 80.76 13.62 4.46 0.02 0.11 0.00 0.62 0.41 27 R C C 102.74 7.07 20.57 28.62 121.33 132.49 -84.30 149.08 84.86 15.10 0.04 77.36 7.97 0.16 0.01 0.03 0.00 12.94 1.52 28 C E E 46.64 14.45 18.92 33.37 114.99 -112.96 -79.08 137.28 4.94 95.04 0.02 3.98 0.83 0.04 0.01 0.01 0.00 66.33 28.79 29 V E E 13.95 18.93 15.98 35.43 129.52 -173.35 -129.55 146.47 36.67 63.32 0.01 34.68 1.98 0.02 0.00 0.00 0.00 61.29 2.03 30 P C C 47.43 6.55 21.38 28.99 113.12 -100.19 -64.11 142.70 58.80 41.17 0.03 60.72 0.76 0.03 0.01 0.01 0.00 35.64 2.84 31 K H G 88.15 15.26 12.97 27.89 91.44 -121.15 -58.27 -36.02 38.23 0.59 61.18 1.33 3.58 31.35 0.92 62.33 0.00 0.39 0.10 32 D H G 117.98 1.49 19.62 20.52 90.47 61.38 -69.57 -18.49 37.05 0.53 62.42 0.63 2.71 32.18 1.07 62.99 0.00 0.33 0.09 33 K H G 104.32 7.41 17.84 26.15 97.57 51.07 -99.36 -0.05 32.43 1.36 66.21 3.12 4.86 23.79 2.18 64.90 0.00 0.98 0.16 34 A C C 14.03 21.58 11.59 32.49 114.81 103.43 -80.55 139.38 68.62 28.79 2.59 57.27 9.33 1.48 1.47 1.26 0.00 25.67 3.51 35 I E E 56.56 11.99 17.74 30.51 116.72 -139.38 -98.69 129.20 19.37 80.37 0.26 17.34 1.39 0.17 0.21 0.11 0.00 75.52 5.26 36 K E E 116.90 8.54 17.49 26.90 108.22 -153.76 -91.16 95.56 22.84 76.97 0.19 17.94 4.10 0.23 0.09 0.09 0.00 77.21 0.35 37 K E E 106.45 6.11 18.06 25.20 129.65 24.08 -131.87 143.30 18.50 81.17 0.33 15.52 2.21 0.22 0.14 0.13 0.00 81.50 0.27 38 F E E 81.53 13.77 13.07 27.04 122.87 -157.22 -115.25 136.55 8.57 91.27 0.16 8.23 0.35 0.05 0.10 0.05 0.00 90.77 0.44 39 V E E 66.75 7.19 16.68 25.44 118.58 -157.59 -111.74 127.96 7.72 92.16 0.11 7.36 0.33 0.04 0.09 0.03 0.00 91.72 0.44 40 I E E 77.34 9.85 12.61 23.90 115.50 -150.95 -98.48 126.31 19.47 80.31 0.22 18.13 0.92 0.12 0.13 0.08 0.00 80.03 0.58 41 R C E 126.11 6.01 13.31 20.83 117.66 -170.04 -103.56 137.88 52.41 46.53 1.06 40.39 10.38 1.17 0.67 0.43 0.00 45.97 0.98 42 N C C 83.60 4.75 12.84 18.91 117.77 -113.78 -94.48 141.55 76.42 20.96 2.62 63.11 11.11 1.31 2.30 0.69 0.00 19.41 2.07 43 I H H 108.27 4.66 11.88 18.14 94.39 -122.12 -62.65 -36.79 13.40 1.15 85.44 6.54 3.45 4.84 81.23 2.79 0.05 0.88 0.23 44 V H H 99.52 1.96 14.22 16.15 93.52 54.38 -66.57 -39.58 9.68 1.16 89.16 4.34 1.97 4.53 84.17 3.69 0.07 1.04 0.20 45 E H H 90.59 4.65 13.63 19.63 93.38 50.66 -68.52 -37.94 7.98 1.34 90.68 4.28 1.47 3.34 84.33 5.03 0.05 1.31 0.19 46 A H H 36.65 8.37 11.45 21.51 92.94 54.80 -65.49 -38.96 7.29 0.95 91.76 3.57 1.23 3.22 86.34 4.55 0.05 0.92 0.14 47 A H H 60.96 3.34 14.84 19.04 92.70 53.88 -66.55 -35.09 13.81 1.36 84.82 4.27 1.75 8.25 78.59 5.53 0.11 1.26 0.24 48 A H H 64.88 3.28 13.85 18.11 93.90 55.99 -71.01 -28.14 23.36 2.17 74.47 6.11 2.63 14.47 68.87 5.42 0.15 1.93 0.40 49 V H H 74.50 7.65 11.51 20.22 100.36 56.37 -87.11 -8.91 31.38 7.28 61.33 12.96 5.34 13.95 55.35 4.96 0.22 5.86 1.36 50 R C H 150.08 3.91 13.17 18.52 99.80 100.21 -71.16 -28.39 48.86 6.15 45.00 17.51 10.08 20.96 40.18 5.12 0.18 4.68 1.28 51 D C C 88.53 3.51 13.68 18.01 104.82 39.27 -94.48 72.99 61.10 3.31 35.58 33.52 5.96 20.91 31.45 4.88 0.02 2.38 0.88 52 I H H 79.52 9.22 10.05 20.34 96.19 153.99 -68.72 -31.45 21.77 1.26 76.96 11.04 3.53 7.68 59.71 16.79 0.04 0.88 0.32 53 S H H 76.03 3.34 13.25 17.89 93.41 61.56 -68.07 -30.22 19.23 0.98 79.80 5.27 2.66 10.32 59.56 21.13 0.10 0.74 0.23 54 E H H 134.68 1.91 14.29 16.37 95.21 52.56 -77.88 -18.48 20.85 0.89 78.26 4.55 3.25 12.09 58.24 20.83 0.17 0.60 0.27 55 A H H 49.31 8.58 10.51 20.29 102.43 68.06 -83.95 5.48 41.13 2.54 56.32 13.75 12.93 16.76 45.09 8.70 0.32 1.28 1.17 56 S C C 51.13 6.80 12.10 20.37 115.91 58.73 -94.73 142.87 69.52 10.46 20.02 44.55 11.20 13.39 15.44 5.12 0.08 5.35 4.87 57 V C T 93.21 5.91 12.22 19.39 96.19 -136.83 -71.22 -23.47 64.91 9.82 25.27 20.05 20.45 25.50 15.85 8.44 0.61 5.53 3.59 58 F C T 128.93 3.99 12.86 18.08 99.34 55.54 -84.07 -12.50 63.70 9.63 26.67 17.11 19.33 28.19 15.55 9.87 0.83 5.38 3.75 59 D C C 91.39 4.81 13.18 19.21 99.50 48.83 -81.45 2.22 63.95 5.54 30.51 28.52 14.43 21.93 14.65 15.03 0.17 3.04 2.22 60 A C T 56.52 7.61 11.80 20.52 102.07 76.53 -84.47 -8.73 61.12 5.96 32.92 19.26 15.69 27.31 13.77 18.00 0.29 3.48 2.21 61 Y C C 133.40 6.14 13.23 20.55 108.28 62.98 -94.11 84.33 55.56 15.96 28.48 22.77 14.72 20.75 11.36 15.40 0.54 10.48 3.97 62 V C C 85.26 6.38 13.79 21.45 110.77 128.55 -98.26 107.44 55.48 25.02 19.50 33.03 14.15 9.20 10.45 9.07 0.49 15.26 8.35 63 L C C 69.25 10.99 11.49 23.38 117.17 -149.58 -96.24 133.51 75.09 17.57 7.34 52.25 19.36 3.40 5.07 2.74 0.02 12.54 4.62 64 P C C 70.24 7.16 13.99 22.62 108.38 -114.42 -67.27 144.69 74.39 10.54 15.07 52.53 10.59 11.17 5.35 9.69 0.01 8.81 1.86 65 K C S 128.93 5.61 15.63 22.17 99.04 -118.22 -75.05 -13.35 68.17 10.87 20.95 19.39 26.59 24.94 5.23 13.65 0.10 8.34 1.75 66 L C C 71.25 10.30 14.99 25.92 110.17 59.86 -95.01 94.30 55.49 23.67 20.84 23.66 15.93 19.07 5.51 13.21 0.06 21.05 1.50 67 Y E E 72.21 13.38 16.19 29.95 121.66 138.53 -112.22 138.68 32.48 57.77 9.75 24.40 6.48 3.27 4.28 4.47 0.02 55.66 1.41 68 V E E 35.73 15.13 17.88 33.50 123.11 -163.09 -117.20 134.66 14.99 82.62 2.39 12.58 1.77 0.66 1.70 0.67 0.00 81.90 0.72 69 K E E 77.75 12.47 21.82 34.18 118.85 -149.06 -104.11 128.86 7.95 90.11 1.94 6.90 0.65 0.36 1.64 0.37 0.00 89.69 0.40 70 L E E 24.20 19.54 19.33 38.59 119.85 -158.83 -108.42 131.68 9.01 88.75 2.24 7.80 0.69 0.37 1.86 0.40 0.00 88.60 0.28 71 H E E 43.25 15.01 23.43 38.36 122.33 -161.72 -113.19 134.27 10.00 88.19 1.81 8.34 1.21 0.56 1.33 0.47 0.00 87.55 0.53 72 Y E E 28.86 20.19 21.20 40.75 124.35 -162.56 -114.07 139.21 21.35 76.46 2.19 17.97 2.41 0.80 1.51 0.76 0.00 75.43 1.13 73 C C C 17.65 16.74 22.82 39.56 110.70 -131.67 -91.46 121.00 55.02 41.74 3.24 51.40 2.32 0.75 2.41 0.81 0.00 40.64 1.69 74 V H H 30.68 18.15 20.80 38.49 94.80 -162.14 -67.13 -33.02 24.22 5.44 70.34 12.40 4.70 8.14 50.49 18.48 0.24 4.85 0.71 75 S H H 39.91 9.54 22.63 32.90 91.63 61.07 -64.53 -37.44 17.04 3.51 79.45 5.59 3.40 8.49 55.99 22.71 0.21 3.14 0.48 76 C H H 27.83 12.53 19.88 33.20 92.41 52.64 -67.15 -34.98 11.60 2.61 85.79 4.31 2.26 5.30 60.40 24.97 0.08 2.39 0.31 77 A H H 11.97 18.03 15.93 34.31 92.50 55.86 -65.75 -38.54 14.44 6.58 78.98 7.32 2.72 5.39 63.45 14.32 0.13 5.72 0.94 78 I H H 71.49 9.89 17.74 28.10 92.87 52.62 -67.45 -39.42 20.73 12.31 66.95 8.66 4.13 9.87 56.46 8.41 0.69 9.73 2.05 79 H H H 115.37 4.70 17.74 23.13 94.75 47.67 -75.85 -28.96 33.57 7.56 58.88 9.71 6.06 18.81 51.08 5.97 1.10 5.19 2.09 80 S C T 45.06 9.05 13.41 23.68 97.76 53.23 -87.95 -1.42 69.11 1.46 29.43 10.85 13.59 42.55 27.44 3.97 0.15 0.73 0.72 81 K C T 140.34 4.41 16.38 22.13 95.13 -127.21 60.93 20.05 71.45 2.49 26.06 9.48 12.44 47.64 23.40 4.22 0.28 1.45 1.09 82 V C T 57.02 10.44 14.97 26.30 99.14 116.30 -85.58 -22.51 61.65 11.09 27.26 14.74 18.01 29.24 21.91 4.93 1.01 6.69 3.46 83 V C C 52.25 13.89 13.13 26.89 111.03 55.91 -99.68 92.40 59.75 14.14 26.11 21.91 20.72 18.34 20.21 5.20 0.66 9.05 3.91 84 R C C 135.86 5.63 16.75 23.29 113.69 55.55 -93.55 125.76 68.02 11.46 20.51 36.30 18.30 13.82 16.15 4.81 0.11 7.54 2.97 85 N C C 84.92 8.87 13.76 23.53 107.47 -129.90 -88.00 100.62 80.60 5.98 13.43 55.17 14.89 9.70 10.94 3.47 0.01 3.99 1.82 86 R C C 116.72 8.40 12.71 22.22 109.21 157.10 -89.86 104.55 85.69 3.32 11.00 64.98 14.08 5.68 9.88 2.11 0.00 1.86 1.40 87 S C C 47.12 6.14 12.94 20.81 114.89 -108.44 -78.55 146.53 86.45 1.67 11.89 76.53 6.32 2.74 11.62 1.25 0.00 0.69 0.85 88 R H H 152.09 3.36 12.91 17.87 93.53 -135.15 -62.17 -36.54 13.20 0.23 86.57 5.83 3.40 5.13 82.21 3.21 0.02 0.10 0.09 89 E H H 115.86 1.94 15.02 16.85 92.26 54.04 -64.60 -40.02 8.47 0.28 91.25 2.93 1.59 4.58 85.77 4.85 0.04 0.19 0.07 90 A H H 30.45 8.28 11.29 21.65 92.00 51.06 -64.91 -39.25 6.39 0.32 93.29 2.59 1.04 3.18 86.38 6.47 0.02 0.27 0.05 91 R H H 104.90 8.09 12.06 21.49 92.02 53.23 -66.85 -35.93 8.13 0.29 91.58 2.80 1.27 4.42 84.83 6.38 0.03 0.20 0.07 92 K H H 142.32 1.78 14.78 16.78 92.57 54.19 -70.05 -27.51 22.49 0.38 77.13 4.02 3.12 15.63 72.43 4.34 0.10 0.18 0.19 93 D C H 94.65 3.39 13.36 17.73 98.17 51.94 -89.63 0.81 54.20 0.57 45.24 13.78 9.13 30.69 43.19 2.61 0.04 0.21 0.35 94 R C C 120.72 8.84 10.03 19.83 104.38 104.94 -77.93 49.57 90.36 2.81 6.83 61.33 19.49 9.08 5.56 1.34 0.00 0.95 2.25 95 T C C 82.77 4.34 12.69 18.67 118.85 110.74 -102.25 136.83 96.67 2.91 0.42 67.35 28.34 0.93 0.23 0.14 0.00 0.85 2.17 96 P C C 89.02 4.18 12.43 18.30 116.32 -102.87 -67.28 150.01 99.48 0.43 0.09 84.43 14.55 0.50 0.03 0.05 0.00 0.16 0.28 97 P C C 75.57 6.89 10.40 19.01 115.90 -97.17 -65.53 150.73 99.33 0.25 0.42 89.78 7.28 2.23 0.08 0.35 0.00 0.11 0.18 98 P C C 89.36 4.74 11.36 17.95 110.87 -99.50 -66.91 146.11 96.39 0.64 2.96 71.02 13.69 10.74 0.34 3.51 0.00 0.32 0.37 99 R C C 165.48 3.08 11.86 16.52 106.13 -132.79 -84.46 36.69 93.17 3.04 3.80 50.04 29.74 12.74 0.43 4.06 0.00 1.56 1.43 100 F C C 122.74 6.41 10.29 18.21 114.98 60.43 -98.21 126.49 89.75 7.95 2.30 64.19 19.61 4.94 0.50 2.11 0.00 3.92 4.73 101 R C C 128.62 5.68 10.87 18.49 121.96 -163.92 -109.29 138.85 93.44 6.39 0.17 78.19 15.00 0.35 0.07 0.11 0.00 3.74 2.54 102 P C C 84.79 3.74 11.27 16.74 115.08 -104.15 -64.53 149.71 90.02 9.04 0.94 84.30 3.41 1.55 0.29 0.57 0.00 3.53 6.35 103 A C T 88.30 2.71 9.69 14.37 109.04 -97.69 -66.34 138.23 97.17 0.94 1.89 8.27 13.28 75.24 0.27 1.79 0.00 0.57 0.58 104 G C T 63.79 0.88 12.06 12.71 100.80 21.16 82.66 -1.56 97.55 0.68 1.77 9.47 13.93 73.87 0.22 1.81 0.00 0.46 0.25 105 A C C 60.92 5.87 8.88 16.59 114.68 125.38 -81.94 144.40 96.07 2.70 1.23 74.33 18.94 2.08 0.30 0.98 0.00 0.89 2.48 106 A C C 67.84 4.64 10.21 16.54 118.64 -112.24 -83.63 147.09 97.91 1.94 0.15 86.85 10.68 0.32 0.05 0.08 0.00 0.75 1.26 107 P C C 93.10 4.05 10.76 16.77 114.47 -101.74 -65.86 147.92 97.92 1.96 0.13 93.17 4.32 0.41 0.04 0.07 0.00 0.68 1.31 108 R C C 159.37 3.68 9.74 15.54 115.68 -116.64 -86.58 137.64 98.28 1.66 0.05 90.94 6.96 0.15 0.02 0.02 0.00 0.45 1.46 109 P C C 94.98 3.20 10.14 15.25 116.55 -102.44 -68.30 150.81 99.61 0.36 0.03 89.32 10.10 0.20 0.01 0.01 0.00 0.13 0.23 110 P C C 99.73 2.46 10.31 14.46 116.25 -99.13 -64.63 150.26 99.74 0.21 0.05 89.39 9.64 0.71 0.01 0.03 0.00 0.08 0.13 111 P C C 100.39 3.65 8.21 13.99 112.66 -100.94 -65.94 146.52 99.07 0.69 0.24 80.49 15.90 2.59 0.06 0.19 0.00 0.28 0.48 112 K C C 153.97 1.76 8.68 12.19 115.70 -116.00 -89.38 137.66 96.73 3.07 0.20 75.14 20.62 0.88 0.06 0.13 0.00 1.50 1.66 113 P C C 112.92 1.78 8.39 11.89 111.82 -103.50 -65.53 144.17 94.51 5.08 0.41 91.50 1.71 1.62 0.12 0.20 0.00 2.31 2.54 114 M C C 137.50 3.27 9.08 14.01 105.29 -121.54 -80.09 71.23 99.86 0.12 0.02 99.76 0.10 0.06 0.00 0.00 0.00 0.05 0.02