# 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 D C C 92.95 5.10 20.80 26.46 116.37 -155.61 -99.02 131.56 99.72 0.27 0.00 99.63 0.12 0.02 0.00 0.00 0.00 0.21 0.01 1 I C C 41.34 19.32 11.79 30.29 118.21 -156.32 -103.32 130.08 54.44 45.48 0.07 53.53 0.53 0.12 0.01 0.04 0.00 45.09 0.68 2 V E E 68.08 6.90 20.25 28.15 119.28 -165.02 -114.23 129.26 12.25 87.68 0.06 11.36 0.75 0.09 0.02 0.03 0.00 87.09 0.65 3 L E E 48.06 18.01 13.69 31.37 118.85 -153.79 -105.28 128.88 7.89 92.06 0.05 7.47 0.42 0.06 0.02 0.02 0.00 91.47 0.55 4 T E E 67.74 7.46 19.57 27.95 124.44 -172.13 -120.84 139.25 17.22 82.67 0.11 15.18 1.56 0.24 0.03 0.07 0.00 81.96 0.94 5 Q E E 77.06 12.65 15.10 28.02 126.23 -157.87 -124.91 140.11 48.10 51.73 0.17 36.60 10.63 0.87 0.03 0.16 0.00 50.73 0.98 6 S C C 61.55 7.46 17.14 25.70 121.17 -131.89 -95.81 147.25 80.51 19.31 0.18 47.55 30.56 1.77 0.02 0.19 0.00 19.23 0.69 7 P C C 67.09 8.04 16.55 25.53 114.05 6.59 -69.24 149.24 88.47 11.10 0.42 52.32 30.13 5.03 0.04 0.49 0.00 11.56 0.44 8 A C E 51.47 12.37 15.48 28.04 99.48 -148.95 -84.47 -19.03 54.34 45.11 0.55 36.01 15.79 2.55 0.06 0.56 0.00 44.35 0.68 9 I E E 90.89 7.12 19.66 27.90 127.61 32.76 -128.96 136.54 13.37 86.53 0.11 11.70 1.39 0.19 0.02 0.08 0.00 86.23 0.39 10 L E E 28.08 19.57 14.64 33.89 126.04 -171.91 -126.68 137.36 2.85 97.14 0.00 2.68 0.13 0.01 0.00 0.00 0.00 97.08 0.10 11 S E E 65.01 6.15 23.42 30.57 121.59 -157.28 -114.23 133.06 2.35 97.65 0.00 2.15 0.12 0.00 0.00 0.00 0.00 97.66 0.06 12 V E E 14.61 20.99 13.40 34.30 132.83 175.26 -137.13 150.80 11.11 88.88 0.01 10.72 0.40 0.01 0.00 0.00 0.00 87.79 1.07 13 S C C 53.08 4.51 23.24 27.40 121.72 -122.02 -86.08 157.23 93.58 6.40 0.02 92.86 0.97 0.06 0.00 0.01 0.00 5.72 0.37 14 P C T 62.12 13.34 14.05 27.61 109.52 -83.23 -59.65 135.96 99.34 0.30 0.36 0.21 2.24 97.12 0.02 0.21 0.00 0.16 0.05 15 G C T 48.92 3.47 19.15 23.29 95.76 22.45 88.08 -6.38 99.47 0.23 0.30 0.39 2.60 96.62 0.02 0.20 0.00 0.15 0.02 16 E C C 83.21 8.04 16.79 26.16 121.04 122.73 -81.12 149.28 93.23 6.61 0.16 79.64 13.21 0.36 0.03 0.15 0.00 6.07 0.55 17 R E E 131.98 8.24 17.86 27.64 122.30 -136.49 -105.36 138.79 44.03 55.94 0.03 43.47 0.65 0.05 0.00 0.02 0.00 55.03 0.77 18 V E E 18.53 19.56 15.22 34.84 130.78 -173.78 -132.09 148.36 1.69 98.31 0.00 1.64 0.03 0.00 0.00 0.00 0.00 98.24 0.08 19 S E E 55.45 8.73 23.11 32.43 123.18 -149.83 -116.01 136.34 0.67 99.33 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.01 20 F E E 11.28 24.08 16.56 40.69 125.43 -170.76 -122.36 137.21 2.87 97.12 0.00 2.51 0.19 0.01 0.00 0.00 0.00 97.25 0.04 21 S E E 39.76 9.63 26.07 36.17 124.23 -158.35 -113.24 141.27 11.35 88.64 0.01 10.07 0.63 0.03 0.00 0.01 0.00 89.16 0.10 22 C E E 5.59 24.98 16.56 41.77 131.09 -175.11 -134.82 145.52 11.83 88.15 0.02 10.64 0.67 0.05 0.00 0.01 0.00 88.34 0.29 23 R E E 111.35 6.90 26.65 34.37 121.66 -157.60 -115.53 133.26 6.48 93.48 0.04 5.94 0.40 0.05 0.02 0.02 0.00 91.66 1.91 24 A E E 10.68 23.55 13.78 36.83 121.93 -162.68 -101.67 144.03 39.75 59.95 0.30 37.00 2.04 0.34 0.10 0.20 0.00 57.77 2.56 25 S C C 49.70 7.55 20.26 28.24 116.87 -136.84 -84.88 158.87 79.73 19.16 1.10 56.70 19.27 3.33 0.17 1.07 0.00 18.10 1.36 26 Q C S 116.53 5.47 17.55 23.89 97.93 -94.61 -72.94 -14.28 90.06 6.50 3.44 18.01 50.55 22.10 0.35 2.92 0.00 5.05 1.01 27 N C C 99.33 5.21 19.16 25.17 110.80 57.09 -91.16 106.65 89.88 6.84 3.28 45.57 24.30 20.15 0.40 3.30 0.00 5.11 1.17 28 I C C 48.53 17.72 14.81 31.59 111.51 -145.37 -89.92 117.01 83.84 12.79 3.37 52.11 20.08 11.77 0.71 3.04 0.01 8.35 3.93 29 G C C 22.14 12.58 20.08 32.69 122.70 -158.31 -110.46 157.74 88.34 10.25 1.41 57.94 20.39 9.87 0.19 1.50 0.00 8.53 1.56 30 T C S 56.93 12.68 20.36 32.83 100.75 -126.94 -95.31 -10.84 85.83 13.50 0.67 26.16 54.74 4.37 0.07 0.60 0.00 13.37 0.69 31 I E E 51.80 11.64 23.37 35.60 123.08 55.93 -116.98 135.87 36.26 63.38 0.36 28.39 6.61 1.10 0.05 0.32 0.00 62.86 0.67 32 I E E 4.14 25.98 18.34 44.94 122.67 -165.34 -116.58 132.85 6.78 93.21 0.01 6.21 0.35 0.02 0.00 0.01 0.00 93.24 0.16 33 H E E 39.51 14.31 27.53 41.97 125.92 -168.33 -120.42 140.96 0.89 99.10 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.13 0.02 34 W E E 9.21 24.37 20.98 45.42 123.67 -155.33 -111.93 138.02 0.53 99.47 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 35 Y E E 29.27 15.43 23.61 39.40 132.05 -174.10 -130.05 150.04 0.51 99.49 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.52 0.02 36 Q E E 38.01 14.81 20.18 35.46 124.25 -151.82 -114.76 139.76 1.88 98.12 0.00 1.54 0.15 0.01 0.00 0.00 0.00 98.25 0.05 37 Q E E 65.86 11.95 15.53 28.33 116.42 -134.73 -97.57 130.94 19.32 80.66 0.03 17.11 1.51 0.08 0.01 0.02 0.00 80.48 0.79 38 R C C 101.68 7.23 13.08 21.88 120.07 -140.50 -90.11 155.51 95.71 4.24 0.05 94.23 1.63 0.21 0.01 0.03 0.00 3.39 0.50 39 T C T 108.36 2.41 10.81 14.82 103.13 -95.76 -62.14 131.93 99.12 0.24 0.64 1.08 6.49 91.53 0.03 0.66 0.00 0.16 0.05 40 N C T 144.34 0.40 12.04 10.62 96.45 18.72 63.26 4.46 99.07 0.12 0.82 0.84 6.03 92.14 0.03 0.85 0.00 0.07 0.03 41 G C S 36.05 5.44 10.18 17.34 130.52 86.63 -124.56 18.00 96.59 2.85 0.56 19.93 74.71 2.32 0.06 0.51 0.00 1.28 1.20 42 S C C 75.78 2.02 16.40 18.31 117.32 -74.39 -74.86 150.96 97.50 2.47 0.03 87.52 9.96 0.21 0.01 0.03 0.00 1.92 0.35 43 P C C 54.78 15.74 11.30 26.49 115.18 -103.34 -67.61 145.30 78.65 21.30 0.05 76.72 1.47 0.13 0.01 0.04 0.00 21.09 0.55 44 R E E 101.34 8.82 19.70 29.41 124.69 -159.63 -120.66 138.34 5.50 94.46 0.03 4.75 0.58 0.05 0.01 0.02 0.00 94.21 0.38 45 L E E 63.92 14.83 18.36 32.94 110.89 -116.92 -76.65 126.72 0.91 99.08 0.01 0.82 0.04 0.00 0.00 0.00 0.00 99.10 0.04 46 L E E 20.58 18.95 20.35 39.22 101.02 176.29 -94.42 -34.50 3.04 96.93 0.03 1.98 0.85 0.05 0.01 0.01 0.00 97.09 0.02 47 I E E 12.49 21.01 20.67 41.66 134.67 5.82 -147.12 142.36 0.78 99.20 0.01 0.61 0.07 0.01 0.00 0.00 0.00 99.29 0.02 48 K E E 64.82 15.83 22.17 37.10 127.88 -171.72 -131.62 135.32 4.13 95.80 0.08 3.42 0.38 0.07 0.03 0.03 0.00 95.94 0.13 49 Y E E 50.90 16.02 19.41 35.25 120.30 -168.16 -115.81 126.91 27.37 71.94 0.69 20.62 5.49 1.59 0.22 0.42 0.00 70.94 0.71 50 A C C 47.77 11.78 18.20 30.12 103.50 -159.21 -88.34 3.19 67.17 28.43 4.40 33.80 18.97 15.32 1.07 3.07 0.01 26.37 1.38 51 S C S 52.39 8.05 17.07 25.92 122.10 85.66 -106.97 158.33 84.42 9.31 6.27 28.39 28.98 27.98 1.32 4.61 0.01 7.23 1.49 52 E C S 125.14 6.73 15.66 23.54 102.94 -122.49 -86.53 16.18 81.61 9.85 8.55 26.77 31.27 25.12 1.95 5.80 0.03 7.03 2.03 53 S C C 62.99 6.26 16.10 23.44 116.65 86.33 -102.19 137.55 69.18 24.09 6.73 39.83 17.87 12.90 2.11 4.48 0.03 19.12 3.65 54 V C C 69.76 13.59 11.96 25.28 110.16 -151.99 -93.53 96.99 64.40 29.39 6.21 42.00 12.28 10.54 2.27 4.02 0.03 24.05 4.81 55 S C C 74.88 4.36 16.82 22.27 114.99 153.46 -102.63 131.75 71.09 24.10 4.82 30.23 18.33 24.64 1.39 3.17 0.04 18.89 3.29 56 G C S 45.07 5.84 17.79 24.54 108.72 11.69 89.60 -4.47 83.57 14.32 2.10 25.88 35.85 22.87 0.32 1.85 0.00 11.44 1.79 57 I C C 43.55 18.29 12.67 30.19 116.24 110.25 -95.22 129.50 83.50 15.90 0.59 54.93 27.64 1.78 0.19 0.45 0.00 11.31 3.70 58 P C C 52.68 10.55 17.13 28.56 110.73 -111.93 -66.90 147.33 82.92 11.20 5.88 64.06 10.08 8.09 0.99 5.45 0.00 9.49 1.84 59 S C C 68.02 8.86 17.25 26.64 97.56 -116.08 -70.41 -18.11 77.16 12.47 10.36 30.86 26.32 21.36 0.91 9.54 0.02 9.71 1.28 60 R C C 118.22 8.37 20.06 28.79 110.73 56.64 -105.82 69.34 58.44 31.55 10.01 29.44 15.96 15.14 1.12 8.24 0.01 28.84 1.25 61 F E E 28.43 22.80 12.79 34.68 122.75 120.69 -112.48 138.51 22.90 76.05 1.05 19.53 3.18 0.87 0.40 0.61 0.00 73.99 1.43 62 S E E 56.53 6.24 23.70 31.22 134.90 -175.90 -137.01 155.59 9.35 90.45 0.20 8.18 0.99 0.20 0.09 0.09 0.00 89.78 0.68 63 G E E 22.99 17.32 15.90 32.32 141.55 158.79 -164.46 169.07 9.35 90.54 0.11 7.77 1.28 0.23 0.03 0.06 0.00 90.17 0.45 64 S E E 66.49 4.82 21.63 28.15 135.13 -154.63 -145.67 155.38 15.96 83.93 0.11 13.74 1.80 0.31 0.03 0.07 0.00 83.48 0.57 65 G E E 29.16 10.90 15.71 27.46 140.22 128.08 135.57 165.12 34.46 65.37 0.17 24.21 9.89 1.51 0.02 0.18 0.00 63.17 1.02 66 S C C 76.78 3.22 21.00 24.67 118.09 -99.09 -120.19 130.57 62.54 37.06 0.40 44.94 14.95 3.20 0.07 0.44 0.00 33.15 3.24 67 G C S 31.84 10.89 18.77 29.56 109.06 -48.01 65.69 -128.45 98.22 1.18 0.60 2.62 59.34 36.46 0.02 0.56 0.00 0.85 0.15 68 T C S 58.27 13.82 16.80 30.52 97.62 -8.45 -98.08 -4.25 98.10 1.42 0.48 2.39 59.91 36.00 0.02 0.43 0.00 1.12 0.13 69 D E E 64.34 8.22 22.42 31.77 119.28 82.55 -109.53 129.33 37.29 62.51 0.20 25.43 11.58 1.55 0.03 0.25 0.00 59.14 2.03 70 F E E 7.76 24.68 15.57 40.71 128.16 -174.60 -126.14 141.88 12.57 87.43 0.00 12.03 0.35 0.02 0.00 0.00 0.00 87.25 0.35 71 T E E 37.96 10.06 27.36 38.47 122.42 -159.61 -118.53 134.12 3.25 96.75 0.00 2.83 0.12 0.00 0.00 0.00 0.00 96.99 0.05 72 L E E 2.84 26.36 18.87 46.18 120.01 -163.20 -114.24 129.04 0.34 99.66 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.00 73 S E E 31.66 10.32 27.27 38.40 121.90 -165.56 -117.06 132.10 0.15 99.85 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 74 I E E 7.90 24.09 15.80 40.40 117.97 -165.66 -114.16 126.01 2.18 97.82 0.00 2.27 0.02 0.00 0.00 0.00 0.00 97.31 0.39 75 N C C 77.45 6.28 22.86 29.34 115.72 -168.51 -100.03 151.96 91.55 8.41 0.04 47.34 39.54 3.13 0.00 0.07 0.00 9.69 0.24 76 S C S 63.42 4.67 24.03 28.64 110.26 10.19 60.05 104.55 98.96 1.02 0.02 9.48 85.53 3.99 0.00 0.02 0.00 0.90 0.08 77 V C C 17.15 23.91 10.43 33.71 114.04 -147.62 -79.43 131.61 99.04 0.94 0.01 97.87 1.35 0.02 0.00 0.00 0.00 0.35 0.40 78 E C C 89.26 3.93 23.63 27.22 129.95 -171.93 -123.77 158.65 99.76 0.22 0.02 99.48 0.34 0.01 0.00 0.00 0.00 0.04 0.13 79 S H G 64.38 11.13 15.01 26.62 91.15 -106.00 -58.72 -31.58 3.15 0.02 96.83 0.16 0.20 2.05 0.30 97.28 0.00 0.01 0.00 80 E H G 125.96 3.71 20.97 25.41 90.06 63.32 -70.79 -16.63 2.60 0.02 97.37 0.09 0.14 1.80 0.22 97.74 0.00 0.02 0.00 81 D H G 14.12 20.63 15.92 36.99 94.16 60.60 -88.36 -3.08 3.51 0.04 96.45 0.40 0.33 1.68 0.30 97.24 0.00 0.03 0.00 82 I C C 37.22 17.62 19.84 37.49 116.70 102.75 -80.77 134.94 86.07 13.70 0.24 82.72 3.46 0.12 0.04 0.18 0.00 13.02 0.46 83 A E E 15.62 16.28 23.04 39.01 142.42 155.05 -153.53 173.73 8.08 91.91 0.02 7.34 0.64 0.04 0.00 0.01 0.00 91.45 0.52 84 D E E 40.68 13.60 25.38 39.09 120.21 -86.10 -103.26 135.47 1.07 98.93 0.00 0.95 0.06 0.00 0.00 0.00 0.00 98.96 0.03 85 Y E E 8.05 25.00 19.70 44.78 124.91 -167.08 -117.44 138.44 0.49 99.50 0.00 0.42 0.03 0.00 0.00 0.00 0.00 99.53 0.01 86 Y E E 35.16 15.34 27.14 42.57 130.01 -171.09 -125.90 146.04 1.35 98.64 0.01 1.13 0.10 0.01 0.00 0.01 0.00 98.70 0.05 87 C E E 3.75 24.96 20.21 45.48 123.46 -156.23 -116.31 136.51 6.77 93.10 0.13 5.61 0.80 0.14 0.04 0.06 0.00 93.12 0.23 88 Q E E 45.38 12.62 25.39 38.20 126.53 -168.95 -122.70 139.01 7.87 91.95 0.18 6.99 0.62 0.14 0.06 0.09 0.00 91.54 0.56 89 Q E E 46.73 17.04 17.10 33.75 118.64 -141.72 -97.42 135.62 22.57 76.96 0.47 18.36 3.76 0.91 0.15 0.33 0.00 75.37 1.13 90 S C E 44.69 9.71 15.75 26.57 119.83 -169.36 -113.26 147.67 55.17 44.17 0.66 41.98 10.20 2.80 0.12 0.62 0.00 42.71 1.57 91 S C S 73.97 4.84 13.19 19.52 107.79 -130.05 -97.92 24.69 86.42 12.35 1.24 25.88 36.58 24.08 0.11 1.29 0.00 10.97 1.07 92 S C S 92.70 1.57 14.30 15.86 99.55 -9.71 -89.56 -6.18 96.78 2.15 1.07 15.99 52.05 28.78 0.08 1.14 0.00 1.55 0.42 93 W C S 122.58 7.08 11.46 20.28 122.38 55.23 -118.57 138.96 91.96 7.31 0.74 20.75 64.07 7.31 0.09 0.71 0.00 5.78 1.29 94 P C C 80.26 5.30 17.09 23.12 114.78 -91.37 -68.44 149.15 83.87 15.50 0.63 58.19 19.85 4.97 0.08 0.65 0.00 15.41 0.85 95 L C C 50.79 17.79 12.71 29.80 114.66 -112.58 -78.46 135.81 56.02 43.52 0.46 48.53 4.71 1.30 0.08 0.37 0.00 44.06 0.94 96 T E E 58.43 9.12 21.99 31.52 124.96 -168.23 -120.66 140.44 17.12 82.64 0.23 15.02 1.47 0.33 0.11 0.14 0.00 79.08 3.85 97 F E E 56.61 19.60 15.81 34.28 118.45 -138.10 -98.32 131.88 21.51 78.18 0.31 17.99 2.65 0.63 0.13 0.21 0.00 73.83 4.57 98 G C C 22.18 12.52 17.99 30.74 120.66 -138.22 -79.24 -172.18 70.39 29.13 0.48 49.33 16.24 3.76 0.06 0.48 0.00 29.25 0.88 99 A C C 75.04 4.80 21.83 26.85 101.27 -67.44 -75.49 2.00 74.84 24.51 0.64 41.19 26.60 6.44 0.05 0.72 0.00 24.21 0.78 100 G C C 19.39 16.89 16.15 31.97 126.31 -119.46 83.31 172.62 68.57 31.15 0.28 54.97 9.24 1.82 0.03 0.31 0.00 33.12 0.51 101 T E E 34.50 15.65 18.15 33.93 127.65 -108.09 -123.38 143.62 13.21 86.74 0.05 12.14 0.69 0.07 0.01 0.03 0.00 86.63 0.43 102 K E E 114.06 7.33 21.80 30.15 118.38 -138.49 -100.63 133.13 2.19 97.78 0.02 1.95 0.14 0.02 0.01 0.01 0.00 97.71 0.17 103 L E E 24.49 20.89 12.71 33.07 121.98 -162.06 -113.52 135.08 4.87 95.11 0.02 4.67 0.16 0.02 0.01 0.01 0.00 94.95 0.20 104 E E E 114.27 4.19 20.63 25.62 118.89 -154.37 -107.33 132.47 15.13 84.83 0.04 15.29 0.25 0.04 0.01 0.02 0.00 83.45 0.93 105 L C C 46.57 18.50 13.24 30.79 113.80 -143.57 -88.13 127.77 98.71 1.29 0.00 98.85 0.05 0.01 0.00 0.00 0.00 1.08 0.02