# 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 103.13 6.05 11.77 19.17 111.03 -139.85 -88.11 122.47 99.87 0.07 0.05 99.82 0.07 0.04 0.03 0.00 0.00 0.03 0.01 1 T C C 85.26 3.22 10.92 15.45 103.78 89.49 -77.95 -31.95 61.47 0.68 37.85 54.80 0.86 5.05 37.53 1.19 0.00 0.29 0.28 2 N H H 99.01 3.67 10.79 15.80 97.16 52.06 -71.55 -29.37 35.01 0.34 64.65 21.75 4.44 8.78 62.81 1.93 0.00 0.13 0.15 3 H H H 112.31 4.51 11.63 17.60 94.83 58.81 -68.23 -33.55 15.07 0.17 84.76 9.24 2.26 3.90 82.75 1.70 0.00 0.07 0.07 4 K H H 125.60 2.14 14.54 16.96 93.31 55.79 -66.26 -38.85 6.88 0.16 92.96 4.32 1.07 1.97 91.41 1.10 0.00 0.08 0.05 5 L H H 80.62 4.42 15.01 20.56 92.61 51.18 -65.43 -41.62 2.85 0.09 97.06 1.58 0.40 1.01 96.39 0.54 0.00 0.05 0.02 6 I H H 57.80 9.33 14.32 24.99 92.46 49.52 -64.98 -41.84 1.56 0.05 98.39 0.76 0.20 0.62 98.05 0.33 0.00 0.03 0.01 7 E H H 95.99 4.72 16.97 22.64 92.07 50.98 -64.30 -40.81 1.58 0.05 98.38 0.66 0.18 0.69 98.14 0.29 0.00 0.03 0.01 8 A H H 52.61 3.11 17.41 20.89 92.27 50.63 -64.60 -41.36 2.39 0.06 97.56 0.82 0.26 1.23 97.25 0.38 0.00 0.03 0.02 9 V H H 53.81 7.08 16.32 24.90 92.82 48.98 -66.16 -41.74 4.26 0.10 95.64 1.40 0.53 2.29 95.14 0.55 0.01 0.05 0.03 10 T H H 43.52 10.99 14.80 26.68 93.17 49.80 -66.94 -40.02 8.68 0.15 91.17 2.98 1.12 4.54 90.39 0.82 0.01 0.07 0.07 11 K H H 122.52 4.22 16.94 22.18 93.00 51.04 -66.07 -38.30 13.46 0.13 86.41 2.87 1.67 9.01 83.22 3.06 0.04 0.06 0.07 12 S H H 70.72 2.64 17.15 19.82 94.53 48.66 -72.44 -31.00 25.11 0.13 74.76 3.06 2.56 19.41 71.31 3.47 0.05 0.05 0.08 13 Q H H 80.43 8.94 15.16 24.86 97.68 48.03 -84.02 -16.89 43.03 0.47 56.50 9.55 6.34 28.04 51.49 4.03 0.07 0.19 0.29 14 L C C 55.84 14.42 11.86 26.13 102.03 77.96 -77.57 12.26 66.20 2.47 31.33 42.56 11.43 12.14 25.73 5.69 0.02 1.13 1.30 15 R C C 129.98 7.00 14.70 22.78 104.31 98.77 -83.97 29.18 76.36 2.80 20.84 58.49 7.10 10.17 14.71 6.61 0.00 1.56 1.36 16 T C C 90.44 4.80 14.49 20.49 103.45 97.58 -89.50 -4.90 82.33 2.42 15.25 46.87 20.00 15.85 7.27 7.61 0.01 1.26 1.14 17 D C C 103.67 3.55 16.48 21.00 105.05 43.08 -94.97 57.25 91.41 1.86 6.73 60.74 16.44 14.22 2.04 4.65 0.00 1.01 0.91 18 L C C 47.87 18.03 10.68 27.65 118.48 147.84 -88.99 138.19 98.97 0.90 0.13 77.65 21.02 0.34 0.05 0.07 0.00 0.34 0.54 19 P C C 44.33 11.02 16.74 28.90 115.75 -107.66 -67.15 153.05 99.59 0.25 0.16 92.74 4.67 2.22 0.02 0.15 0.00 0.12 0.08 20 S C C 71.84 5.88 21.87 28.49 113.05 -109.42 -80.14 135.01 98.73 1.07 0.20 84.37 10.99 3.34 0.02 0.27 0.00 0.42 0.59 21 F C C 17.14 23.90 11.13 34.47 124.63 -158.50 -113.02 142.86 93.79 6.16 0.05 90.63 2.90 0.09 0.02 0.02 0.00 1.10 5.24 22 R C C 124.29 3.74 24.34 28.29 128.60 -162.13 -120.45 155.75 99.85 0.15 0.01 99.54 0.35 0.01 0.00 0.00 0.00 0.03 0.06 23 P C T 68.67 12.03 15.20 27.70 110.63 -82.65 -59.27 136.77 99.83 0.08 0.09 0.15 1.15 98.60 0.00 0.05 0.00 0.04 0.02 24 G C T 39.27 5.19 19.85 26.14 96.41 26.60 90.90 -7.05 99.92 0.04 0.04 0.20 1.20 98.54 0.00 0.03 0.00 0.03 0.00 25 D C C 32.71 13.02 16.31 30.80 118.94 131.53 -72.18 149.53 94.26 5.73 0.01 93.25 1.21 0.02 0.00 0.00 0.00 5.39 0.13 26 T E E 53.44 9.83 22.36 32.82 119.24 -132.60 -102.39 133.28 1.30 98.70 0.00 1.36 0.02 0.00 0.00 0.00 0.00 98.48 0.14 27 L E E 6.17 24.35 15.83 40.64 127.34 -170.13 -123.11 142.72 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 28 R E E 93.73 8.24 25.59 34.31 116.07 -137.50 -100.23 127.32 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 29 V E E 3.90 25.52 16.02 42.53 121.20 -165.16 -112.96 131.69 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 30 H E E 53.00 9.43 25.04 35.28 120.62 -164.04 -112.97 131.85 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 31 V E E 10.42 21.97 16.45 38.75 122.69 -166.12 -118.74 132.43 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 32 R E E 86.84 8.32 22.08 31.16 117.20 -153.38 -104.61 126.77 0.44 99.56 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 33 I E E 27.21 16.07 13.85 30.78 121.86 -167.44 -113.74 136.57 1.30 98.70 0.00 1.11 0.07 0.00 0.00 0.00 0.00 98.80 0.02 34 I E E 76.86 6.68 14.08 22.75 115.84 -142.94 -103.74 125.98 6.42 93.56 0.03 5.35 0.58 0.08 0.00 0.02 0.00 93.81 0.15 35 E E E 101.30 5.81 10.10 17.81 114.74 -177.30 -125.16 111.92 22.86 76.28 0.86 11.27 6.42 6.02 0.09 0.88 0.00 74.78 0.53 36 G C T 63.07 0.58 12.21 11.70 109.72 -45.31 64.13 -128.04 98.59 0.46 0.94 2.78 13.74 81.83 0.03 1.18 0.00 0.37 0.09 37 T C T 129.78 0.34 10.35 9.27 97.02 -23.36 -89.26 0.42 98.63 0.47 0.90 2.89 17.19 78.35 0.03 1.09 0.00 0.36 0.08 38 R E E 146.17 2.21 10.15 14.11 121.42 89.61 -102.89 143.32 20.03 79.86 0.11 12.80 6.75 1.14 0.02 0.11 0.00 78.62 0.57 39 E E E 116.52 6.45 9.90 18.40 120.09 -147.20 -103.90 134.62 8.95 91.04 0.01 7.64 0.51 0.06 0.00 0.01 0.00 91.70 0.08 40 R E E 103.06 6.21 14.41 22.51 128.38 -177.26 -129.23 146.56 2.23 97.76 0.00 1.97 0.10 0.01 0.00 0.00 0.00 97.90 0.02 41 I E E 87.03 9.71 14.46 25.33 118.12 -134.52 -99.28 131.73 0.88 99.12 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.15 0.01 42 Q E E 52.09 12.43 16.43 29.87 129.35 -176.07 -127.96 145.96 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 43 V E E 63.19 10.54 20.09 31.31 118.00 -136.28 -101.23 130.96 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 44 F E E 14.10 20.94 16.73 37.93 129.52 -173.88 -125.56 148.25 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 45 E E E 72.07 10.90 25.44 36.40 124.25 -151.00 -116.09 138.20 0.41 99.59 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 46 G E E 4.04 18.83 22.46 41.38 145.12 123.41 -167.87 -173.28 0.81 99.19 0.00 0.58 0.06 0.00 0.00 0.00 0.00 99.36 0.00 47 V E E 32.47 12.68 26.25 40.00 122.83 -72.88 -112.01 136.34 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 48 V E E 6.41 24.21 17.75 42.96 109.60 -117.87 -75.22 124.34 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 49 I E E 45.17 12.09 23.33 36.16 100.74 174.29 -99.10 -31.56 0.50 99.50 0.00 0.35 0.06 0.00 0.00 0.00 0.00 99.58 0.00 50 K E E 81.19 6.62 25.20 32.78 141.08 -0.94 -157.17 151.52 0.40 99.60 0.00 0.30 0.03 0.00 0.00 0.00 0.00 99.66 0.00 51 R E E 78.66 19.54 13.58 31.69 124.59 -158.44 -126.30 132.00 2.17 97.82 0.00 2.06 0.07 0.00 0.00 0.00 0.00 97.77 0.09 52 R E E 125.92 5.12 18.24 24.51 123.61 -173.35 -123.11 140.76 30.07 69.89 0.04 25.12 3.62 0.32 0.01 0.04 0.00 70.40 0.49 53 G C C 50.15 2.87 15.32 19.18 120.17 12.54 98.36 -171.77 79.58 20.30 0.12 48.24 27.45 2.65 0.01 0.15 0.00 20.97 0.53 54 G C C 51.83 3.88 12.91 18.45 123.64 -88.32 -142.34 162.32 89.76 9.94 0.30 44.46 41.93 3.76 0.04 0.34 0.00 7.84 1.63 55 G C S 48.21 2.50 14.80 18.07 120.66 9.99 85.58 -156.89 94.69 2.78 2.54 6.68 71.65 16.69 0.20 2.13 0.00 1.61 1.05 56 V C T 107.48 5.07 13.76 20.00 94.48 -36.19 -73.06 -21.31 95.01 0.92 4.07 2.39 37.09 55.15 0.11 4.42 0.00 0.56 0.27 57 S C T 57.88 7.76 15.76 24.41 100.47 51.61 -98.90 9.54 85.60 10.90 3.50 12.08 24.49 48.07 0.11 4.55 0.00 10.13 0.57 58 E C C 42.21 13.73 15.11 29.86 117.29 114.20 -86.19 140.52 62.81 36.61 0.58 57.35 3.41 0.75 0.06 0.50 0.00 37.48 0.44 59 T E E 33.40 11.96 21.71 34.45 131.07 -171.11 -128.12 149.84 8.11 91.88 0.01 7.31 0.46 0.02 0.00 0.01 0.00 91.98 0.21 60 F E E 10.91 22.37 18.70 41.32 125.08 -156.06 -117.36 138.37 0.54 99.46 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 61 T E E 22.34 12.47 25.38 38.98 120.81 -153.30 -112.42 134.20 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 62 V E E 4.88 23.91 19.25 43.70 121.08 -163.83 -113.74 133.47 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 63 R E E 60.91 12.93 23.49 36.49 124.50 -168.01 -116.77 136.02 0.50 99.50 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 64 K E E 51.06 14.45 18.59 33.25 127.11 -165.28 -121.46 142.07 1.51 98.48 0.01 1.24 0.13 0.01 0.00 0.00 0.00 98.61 0.02 65 I E E 65.42 11.07 15.75 27.93 116.47 -140.35 -103.14 125.07 5.51 94.45 0.04 4.60 0.64 0.07 0.01 0.02 0.00 94.52 0.15 66 S E E 46.69 8.25 11.85 21.89 126.20 168.42 -136.18 136.52 11.87 87.85 0.27 8.07 3.10 1.08 0.06 0.20 0.00 86.60 0.88 67 S C T 101.27 0.89 13.76 13.99 93.94 -14.06 51.05 44.30 98.74 0.73 0.52 0.95 8.76 89.08 0.03 0.52 0.00 0.55 0.11 68 G C T 60.09 1.89 13.08 15.50 95.68 -48.35 82.18 0.83 99.30 0.34 0.36 0.97 8.85 89.49 0.02 0.38 0.00 0.25 0.05 69 V E E 75.08 5.94 14.17 21.84 122.92 102.32 -114.11 135.53 8.00 91.91 0.08 5.09 2.47 0.46 0.02 0.06 0.00 91.40 0.51 70 G E E 26.30 13.11 13.47 26.95 121.28 -148.26 -95.18 148.17 3.47 96.52 0.01 2.77 0.34 0.02 0.00 0.00 0.00 96.82 0.04 71 V E E 41.27 11.84 18.30 31.48 123.93 -164.78 -123.51 135.08 1.18 98.82 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.88 0.02 72 E E E 81.39 14.12 17.76 31.64 123.11 -159.57 -114.16 134.65 0.91 99.09 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.20 0.01 73 R E E 70.18 13.05 19.96 33.27 131.47 -176.11 -133.34 144.90 0.27 99.73 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 74 T E E 57.76 13.15 20.73 33.68 122.16 -150.08 -113.47 133.03 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 75 F E E 19.58 19.17 18.08 37.56 128.84 -173.16 -130.21 142.54 0.76 99.24 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.28 0.02 76 P E E 44.62 8.58 23.84 33.26 113.61 -108.10 -66.94 143.66 7.12 92.86 0.02 6.11 0.49 0.08 0.00 0.01 0.00 93.10 0.21 77 L C T 25.79 21.94 15.91 37.33 92.64 -117.09 -61.90 -28.35 95.72 3.43 0.86 7.54 12.43 75.65 0.05 0.97 0.00 3.06 0.31 78 H C T 97.50 9.21 22.06 31.81 94.52 57.75 -87.60 4.51 98.10 1.27 0.63 6.34 14.46 77.10 0.03 0.84 0.00 0.95 0.27 79 T C C 21.77 17.13 14.40 32.30 112.47 124.95 -72.59 132.32 97.06 2.45 0.49 62.91 33.36 0.95 0.10 0.44 0.00 1.20 1.03 80 P C T 79.31 6.37 21.04 28.31 93.55 -126.40 -64.35 -20.80 95.49 1.69 2.81 3.87 12.98 78.92 0.46 2.24 0.01 1.19 0.33 81 K C T 70.55 12.79 19.43 32.17 95.16 62.09 -83.73 -3.99 88.93 8.08 2.99 6.29 7.74 75.19 0.60 2.36 0.01 7.44 0.38 82 I E E 11.65 24.38 12.04 36.26 110.79 106.26 -83.47 119.55 8.45 90.86 0.69 8.02 0.47 0.09 0.37 0.19 0.00 90.12 0.73 83 E E E 99.12 5.35 22.19 28.19 99.83 176.53 -92.50 -33.99 7.28 92.27 0.46 5.62 0.99 0.15 0.20 0.11 0.00 92.86 0.07 84 K E E 91.32 5.42 24.51 30.78 139.81 1.06 -153.75 150.72 1.61 98.25 0.14 1.21 0.12 0.03 0.03 0.03 0.00 98.56 0.01 85 I E E 19.75 24.17 13.16 36.98 123.44 -160.58 -127.18 129.07 0.87 99.02 0.11 0.80 0.02 0.01 0.05 0.01 0.00 99.10 0.01 86 E E E 83.31 6.01 25.29 31.53 121.71 -169.06 -120.98 130.96 0.85 99.05 0.10 0.76 0.02 0.01 0.05 0.01 0.00 99.14 0.01 87 V E E 37.60 19.46 14.15 33.04 113.76 -145.70 -96.76 123.19 2.64 97.24 0.12 2.52 0.08 0.02 0.08 0.02 0.00 97.23 0.05 88 K E E 97.19 6.89 19.48 27.14 103.32 175.01 -99.91 -26.27 12.48 87.22 0.30 11.03 1.03 0.19 0.19 0.10 0.00 87.22 0.23 89 R E E 116.92 7.27 17.32 25.69 130.78 1.98 -138.40 142.67 27.73 71.66 0.62 23.61 3.35 0.60 0.28 0.30 0.00 71.26 0.60 90 R C C 129.61 9.50 13.79 24.46 119.06 -155.28 -110.33 134.40 62.27 35.93 1.80 50.15 8.30 2.44 0.64 1.00 0.00 36.33 1.13 91 G C C 31.47 8.08 14.01 23.20 131.71 146.93 -144.63 176.66 84.99 10.12 4.90 52.43 25.70 7.11 2.75 2.07 0.00 8.78 1.16 92 K C C 151.26 2.42 17.01 20.00 110.61 -68.72 -88.00 119.21 84.32 7.45 8.23 60.01 18.51 5.91 5.52 2.84 0.00 5.69 1.52 93 V C C 58.55 14.03 10.10 23.90 117.97 -141.24 -100.09 133.30 78.64 6.96 14.40 64.57 9.03 4.81 10.65 4.09 0.01 4.94 1.90 94 R C C 139.23 5.40 15.35 21.97 113.33 -154.52 -96.36 132.04 80.25 4.92 14.83 64.73 9.78 5.43 10.91 4.36 0.00 3.40 1.39 95 R C C 133.08 7.55 14.91 23.35 110.90 -121.52 -90.27 121.81 71.95 4.36 23.69 52.96 11.78 7.05 16.53 7.55 0.01 2.86 1.26 96 A C C 47.32 11.58 13.41 25.38 105.91 -144.07 -78.00 90.67 68.04 3.94 28.02 47.10 12.10 8.30 19.09 9.64 0.01 2.86 0.90 97 K C C 116.78 6.69 17.94 25.05 105.10 51.14 -84.87 86.00 64.25 6.99 28.76 46.19 9.62 8.06 19.59 9.72 0.02 5.57 1.23 98 L C C 44.41 16.37 13.46 29.36 105.87 -132.69 -88.93 68.22 54.07 12.76 33.17 44.33 5.30 4.39 22.99 10.58 0.01 10.94 1.45 99 Y H H 104.50 8.73 18.19 27.42 97.53 107.02 -77.41 -32.38 38.44 15.74 45.81 23.29 6.59 8.70 29.26 16.88 0.05 13.94 1.30 100 Y H H 89.71 9.92 17.78 28.14 97.22 55.76 -76.86 -23.93 34.47 19.49 46.04 17.96 6.33 10.86 27.41 18.78 0.16 17.06 1.45 101 L H H 36.07 17.10 13.65 30.35 96.42 66.13 -82.08 -10.47 28.16 18.73 53.11 17.94 4.60 6.37 27.50 25.83 0.07 16.40 1.30 102 R H H 117.02 8.85 15.72 25.57 93.50 87.31 -66.58 -29.20 38.33 16.10 45.57 12.22 6.67 19.57 24.11 21.69 0.46 13.64 1.63 103 S C T 77.74 3.15 17.66 21.02 98.11 49.13 -93.97 6.10 55.50 8.04 36.45 14.85 10.25 29.96 17.54 19.14 0.25 6.74 1.26 104 L C C 48.82 15.78 9.04 24.26 112.43 128.55 -80.41 129.71 75.09 6.40 18.50 55.89 12.33 6.36 13.84 5.36 0.01 4.54 1.67 105 R C C 159.11 2.90 15.46 19.55 117.73 -164.16 -105.61 140.68 72.84 6.14 21.02 45.47 13.32 13.20 18.08 4.17 0.05 3.60 2.12 106 G C H 40.93 3.87 16.07 20.70 119.66 12.44 83.23 -162.31 62.16 2.12 35.72 19.82 21.92 20.96 28.51 6.73 0.09 1.09 0.87 107 K H H 126.13 5.43 14.73 21.37 94.93 -39.43 -67.53 -33.04 33.62 1.68 64.70 12.17 8.11 14.07 49.74 14.15 0.11 1.14 0.50 108 A H H 47.66 8.01 13.77 23.28 93.33 57.75 -66.50 -35.04 28.01 3.23 68.75 12.14 5.54 10.81 52.05 16.14 0.11 2.57 0.63 109 A H H 39.25 8.23 13.98 23.95 94.58 56.23 -69.02 -33.92 26.75 5.09 68.16 15.56 4.92 7.36 52.76 14.28 0.06 4.30 0.78 110 R H H 121.68 5.73 16.62 23.16 98.21 59.15 -74.28 -24.19 30.30 9.21 60.49 19.28 5.47 7.24 49.24 9.57 0.08 7.83 1.30 111 I H H 65.88 10.78 12.41 23.98 102.11 69.37 -80.28 -12.04 29.22 11.30 59.47 20.05 4.90 5.81 50.21 7.45 0.07 10.16 1.36 112 Q H H 105.34 5.61 13.70 20.44 99.36 66.44 -75.14 -24.38 34.35 10.31 55.34 21.65 5.64 7.94 46.47 7.59 0.08 9.37 1.25 113 E H H 119.74 4.12 12.68 18.16 103.91 64.43 -82.94 22.24 43.01 10.24 46.75 25.13 6.39 11.88 38.57 7.58 0.09 8.84 1.51 114 I C C 88.57 8.77 9.25 18.94 108.17 117.24 -86.00 105.30 63.21 5.54 31.25 49.49 2.18 10.68 28.46 3.68 0.00 3.99 1.52 115 R C C 155.80 4.03 13.30 18.96 108.86 -151.96 -87.47 109.19 99.50 0.26 0.23 99.27 0.13 0.19 0.20 0.01 0.00 0.18 0.02