# 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 E C C 117.51 5.44 19.97 26.29 116.03 -140.47 -93.26 132.41 99.50 0.49 0.00 99.50 0.08 0.01 0.00 0.00 0.00 0.39 0.01 1 I C C 46.18 18.23 12.48 30.12 118.00 -151.61 -103.56 128.92 53.23 46.58 0.19 52.33 0.49 0.24 0.04 0.10 0.00 45.89 0.91 2 V E E 68.10 7.31 19.82 28.17 118.88 -164.37 -113.50 126.84 22.03 77.51 0.46 20.02 1.53 0.44 0.15 0.28 0.00 76.58 1.00 3 L E E 41.60 18.68 13.38 31.59 117.55 -154.96 -102.54 128.10 18.64 80.98 0.37 17.10 1.26 0.31 0.11 0.22 0.00 80.29 0.72 4 T E E 73.00 7.04 19.97 27.78 116.47 -169.96 -112.91 121.56 26.54 73.05 0.41 22.78 2.89 0.71 0.10 0.29 0.00 72.33 0.90 5 Q E E 70.01 12.94 14.89 28.11 126.47 46.25 -120.92 142.23 47.45 52.04 0.51 36.19 10.27 1.62 0.11 0.43 0.00 50.01 1.36 6 S C C 61.11 7.40 17.59 25.98 120.71 -128.25 -91.85 145.37 78.03 21.59 0.38 50.53 23.78 3.27 0.05 0.40 0.00 20.88 1.09 7 P C S 73.74 8.13 16.64 25.49 111.23 -47.69 -69.61 145.24 87.01 12.16 0.83 20.58 41.42 24.37 0.05 0.91 0.00 12.07 0.60 8 G C E 34.28 9.36 17.66 27.28 113.84 -2.98 88.82 -147.75 60.26 38.95 0.79 21.25 25.20 14.12 0.06 0.87 0.00 37.77 0.72 9 T E E 72.86 8.42 19.02 28.25 128.13 -9.21 -125.92 140.54 28.02 71.73 0.26 24.04 3.05 0.63 0.04 0.22 0.00 71.36 0.65 10 L E E 27.74 19.61 14.96 34.24 126.09 -169.77 -124.92 138.00 6.37 93.62 0.02 5.69 0.49 0.05 0.00 0.01 0.00 93.44 0.30 11 S E E 64.77 6.73 23.33 31.10 121.69 -156.50 -114.04 133.63 4.04 95.95 0.01 3.63 0.26 0.02 0.00 0.01 0.00 95.91 0.18 12 L E E 17.88 20.98 13.77 34.44 132.17 174.89 -134.74 149.94 15.63 84.35 0.02 14.90 0.65 0.03 0.00 0.01 0.00 82.68 1.73 13 S C C 54.15 4.56 23.54 27.73 122.25 -127.51 -89.27 157.11 94.30 5.67 0.02 93.35 1.17 0.09 0.00 0.01 0.00 4.93 0.44 14 P C T 62.14 13.51 14.26 27.94 109.45 -82.61 -59.83 135.70 99.11 0.44 0.45 0.32 2.68 96.37 0.03 0.29 0.00 0.24 0.07 15 G C T 46.70 4.18 19.35 24.34 96.08 23.52 88.51 -6.52 99.31 0.30 0.39 0.54 3.16 95.76 0.03 0.28 0.00 0.21 0.03 16 E C C 82.78 8.25 17.81 27.19 122.48 118.02 -84.71 150.41 92.16 7.60 0.24 76.50 15.16 0.47 0.04 0.21 0.00 6.91 0.71 17 R E E 123.91 9.44 18.93 29.43 123.83 -135.15 -108.35 141.73 41.37 58.59 0.04 40.87 0.70 0.06 0.01 0.03 0.00 57.28 1.05 18 A E E 9.03 21.57 15.61 37.18 130.42 -171.41 -130.01 148.35 2.03 97.97 0.01 1.90 0.07 0.00 0.00 0.00 0.00 97.94 0.09 19 T E E 62.82 9.00 24.72 34.28 121.36 -149.67 -115.13 132.73 1.10 98.90 0.00 0.97 0.05 0.00 0.00 0.00 0.00 98.96 0.02 20 L E E 6.19 25.14 17.02 42.62 122.42 -167.95 -116.55 133.09 5.24 94.75 0.01 4.61 0.32 0.02 0.00 0.00 0.00 94.97 0.08 21 S E E 38.14 9.98 26.30 36.71 125.84 -166.26 -118.44 141.58 13.84 86.14 0.02 12.28 0.76 0.04 0.00 0.01 0.00 86.78 0.13 22 C E E 5.92 24.63 16.39 41.21 134.08 -172.46 -137.90 150.63 12.25 87.73 0.02 11.29 0.56 0.05 0.00 0.02 0.00 87.71 0.36 23 R E E 118.57 5.89 26.09 32.73 120.81 -150.68 -113.23 132.64 6.89 93.08 0.03 6.51 0.32 0.03 0.02 0.01 0.00 89.97 3.14 24 A E E 9.76 23.80 11.13 34.37 118.50 -142.82 -89.81 140.29 46.18 53.54 0.28 44.16 1.65 0.26 0.07 0.20 0.00 51.63 2.03 25 S C S 77.67 2.98 21.17 24.14 97.38 -156.80 -86.96 -19.62 88.17 11.24 0.60 23.69 59.90 3.92 0.05 0.56 0.00 11.38 0.49 26 Q C S 92.18 4.05 20.66 25.05 135.56 19.29 -141.05 162.17 88.40 10.89 0.71 9.34 73.02 5.96 0.05 0.58 0.00 10.46 0.59 27 S C C 67.88 6.66 19.82 27.34 115.79 -91.51 -73.42 142.08 87.68 11.43 0.89 78.19 6.46 2.41 0.10 1.03 0.00 10.89 0.92 28 V C C 14.09 23.04 11.11 33.83 122.01 -156.10 -113.14 132.91 58.42 41.02 0.57 53.94 2.83 0.73 0.26 0.35 0.00 23.11 18.77 29 R C C 165.71 2.41 23.22 25.55 100.36 -162.41 -94.28 2.35 82.72 16.79 0.49 52.68 26.20 4.12 0.09 0.52 0.00 14.14 2.25 30 S C S 28.44 13.66 17.13 31.26 131.99 72.28 -120.95 161.08 86.78 12.59 0.64 29.65 49.96 7.17 0.06 0.67 0.00 11.24 1.24 31 S C S 48.11 12.15 20.95 33.23 96.90 -134.75 -85.40 -13.31 86.37 13.42 0.21 16.45 64.99 3.47 0.01 0.20 0.00 14.50 0.39 32 Y E E 56.95 13.71 24.18 38.31 129.66 49.87 -130.72 141.40 15.43 84.41 0.16 11.79 3.05 0.66 0.02 0.15 0.00 84.00 0.33 33 L E E 3.37 26.02 20.75 47.04 129.50 -171.98 -129.37 143.64 1.97 98.02 0.01 1.80 0.11 0.01 0.00 0.00 0.00 98.01 0.07 34 G E E 4.88 19.07 27.67 46.50 131.03 -166.58 -124.16 151.03 0.74 99.25 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.28 0.01 35 W E E 8.12 24.58 23.34 47.58 129.18 -157.27 -123.61 145.12 0.81 99.19 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.22 0.01 36 Y E E 23.14 17.95 23.87 41.65 133.48 -172.94 -133.10 150.00 0.91 99.09 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.14 0.03 37 Q E E 44.44 14.32 22.15 36.57 121.34 -142.57 -110.00 135.74 3.28 96.71 0.01 2.68 0.36 0.02 0.00 0.00 0.00 96.83 0.11 38 Q E E 50.42 14.78 15.47 30.56 121.76 -155.50 -109.22 138.27 29.33 70.65 0.02 26.38 2.21 0.09 0.00 0.02 0.00 70.14 1.15 39 K C C 101.27 6.00 16.16 23.38 118.95 -140.32 -93.59 145.67 98.01 1.96 0.03 95.85 2.21 0.19 0.01 0.02 0.00 1.42 0.30 40 P C T 102.55 4.24 11.69 17.91 109.48 -86.79 -58.69 134.22 99.64 0.10 0.26 0.38 3.46 95.84 0.01 0.24 0.00 0.06 0.02 41 G C T 68.65 0.32 13.38 11.18 95.17 18.75 83.89 -3.29 99.69 0.07 0.24 0.47 3.46 95.75 0.01 0.25 0.00 0.04 0.01 42 Q C S 89.09 5.58 10.71 18.41 129.15 96.89 -114.43 158.95 93.62 6.03 0.35 37.45 55.22 1.06 0.07 0.26 0.00 2.07 3.87 43 A C C 73.30 2.70 18.10 20.89 116.89 -98.53 -69.40 151.00 97.16 2.80 0.03 85.46 11.66 0.22 0.01 0.03 0.00 2.27 0.35 44 P C C 40.15 18.86 11.85 29.98 114.77 -98.91 -65.49 143.73 90.98 8.99 0.03 88.61 2.16 0.14 0.00 0.03 0.00 8.83 0.24 45 R E E 100.39 8.70 22.03 31.36 125.63 -161.55 -122.89 138.63 7.63 92.33 0.04 6.81 0.64 0.06 0.01 0.02 0.00 91.86 0.60 46 L E E 56.13 16.84 18.64 34.89 110.62 -115.97 -75.31 126.26 1.00 98.99 0.01 0.89 0.04 0.00 0.00 0.00 0.00 99.03 0.03 47 L E E 22.12 18.40 21.87 40.11 101.50 175.03 -96.75 -33.64 1.68 98.31 0.01 1.17 0.36 0.02 0.00 0.00 0.00 98.43 0.01 48 I E E 10.84 21.68 22.27 43.64 136.30 4.84 -147.82 142.78 0.57 99.42 0.01 0.47 0.04 0.00 0.00 0.00 0.00 99.47 0.01 49 Y E E 60.51 17.92 23.51 39.98 130.12 -173.20 -133.70 140.13 4.75 95.20 0.05 3.97 0.40 0.06 0.02 0.02 0.00 95.40 0.14 50 G E E 10.81 18.35 21.53 38.88 131.65 166.98 -130.13 163.26 38.44 60.70 0.86 24.97 11.57 3.03 0.20 0.63 0.00 58.91 0.69 51 A C C 36.53 13.61 20.39 33.79 112.83 -114.76 -95.83 143.15 66.52 26.45 7.02 32.50 22.77 13.55 1.82 4.70 0.04 22.50 2.13 52 S C C 50.67 11.40 18.00 29.24 108.64 -125.19 -90.33 58.43 74.04 9.01 16.96 28.52 23.67 23.97 4.19 11.40 0.08 5.85 2.32 53 S C T 68.89 7.46 17.83 25.79 100.29 34.12 -83.11 -5.05 70.76 6.19 23.06 22.50 23.08 27.50 6.20 14.78 0.11 3.66 2.17 54 R C C 125.65 7.92 17.41 25.90 102.97 57.97 -92.30 10.19 64.35 14.24 21.42 30.75 16.81 19.09 6.87 13.21 0.16 9.21 3.90 55 A C C 40.44 16.22 12.65 28.02 109.06 112.03 -84.32 110.32 69.92 14.81 15.27 44.62 13.99 12.07 5.60 9.49 0.06 10.16 4.02 56 T C C 88.91 5.06 18.26 24.45 113.33 -166.02 -99.31 123.71 76.19 14.49 9.33 33.50 18.90 25.63 3.18 5.46 0.08 9.90 3.37 57 G C C 42.78 6.11 19.08 25.95 107.11 7.52 90.07 3.72 87.08 9.48 3.45 35.44 28.15 24.47 0.65 2.80 0.00 6.29 2.19 58 I C C 33.16 20.80 11.74 31.39 116.08 125.16 -93.87 129.77 92.41 7.09 0.49 72.16 19.46 1.02 0.20 0.31 0.00 3.92 2.93 59 P C C 53.33 10.11 16.28 27.46 113.36 -113.17 -66.61 150.57 88.77 3.78 7.45 71.61 6.99 9.52 1.30 6.76 0.00 2.71 1.10 60 D C T 117.42 2.81 18.30 21.93 94.29 -106.42 -67.16 -18.24 75.12 3.01 21.87 13.97 20.28 41.28 1.80 19.86 0.02 1.98 0.80 61 R C T 102.05 10.99 17.83 28.86 96.38 61.69 -85.76 -7.92 65.96 10.36 23.68 14.48 18.48 34.74 2.07 20.34 0.05 8.71 1.13 62 F E E 21.16 23.37 13.16 35.70 116.60 71.97 -109.05 122.80 24.18 64.90 10.93 17.12 6.13 4.11 2.72 6.80 0.03 61.33 1.76 63 S E E 53.49 7.75 22.91 31.62 132.30 150.50 -132.23 152.94 12.77 86.77 0.46 10.66 1.99 0.51 0.23 0.23 0.00 85.10 1.26 64 G E E 23.62 16.68 16.32 32.16 141.66 164.03 -157.61 171.37 12.83 86.98 0.19 10.70 1.89 0.41 0.06 0.11 0.00 86.10 0.71 65 S E E 67.17 4.88 21.41 27.97 135.00 -154.47 -145.85 155.23 24.31 75.51 0.19 20.89 2.85 0.53 0.05 0.13 0.00 74.75 0.79 66 G E E 29.16 11.95 15.05 27.43 139.25 139.76 96.37 166.95 46.41 53.32 0.26 34.39 11.07 1.84 0.04 0.27 0.00 50.96 1.44 67 S C C 76.61 3.32 20.65 24.61 120.68 -116.56 -124.33 131.37 64.41 34.67 0.92 37.69 21.69 6.80 0.16 0.97 0.00 28.41 4.29 68 G C S 33.79 9.89 18.71 28.76 110.78 -41.99 64.98 -133.19 96.97 1.69 1.34 3.87 53.39 39.91 0.05 1.34 0.00 1.18 0.26 69 T C S 58.09 13.62 16.69 30.36 97.61 -8.44 -96.89 -3.68 96.65 2.18 1.17 3.72 52.86 40.31 0.05 1.12 0.00 1.68 0.26 70 D E E 62.15 8.67 22.34 32.05 118.40 84.41 -105.91 128.85 47.17 52.15 0.69 27.34 17.93 4.58 0.09 0.78 0.00 46.41 2.87 71 F E E 7.93 24.61 15.84 40.90 127.44 -173.98 -125.66 141.42 23.55 76.43 0.02 22.04 0.95 0.06 0.00 0.02 0.00 76.20 0.73 72 T E E 37.05 10.24 27.20 38.44 122.90 -164.41 -118.04 134.63 7.08 92.92 0.00 6.34 0.30 0.00 0.00 0.00 0.00 93.22 0.12 73 L E E 3.00 26.20 18.73 45.89 119.44 -162.33 -110.93 128.43 0.49 99.51 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.51 0.01 74 T E E 40.67 9.97 27.17 37.95 120.18 -164.58 -115.24 128.84 0.18 99.82 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 75 I E E 7.33 24.19 16.24 41.03 117.66 -167.48 -114.45 124.38 2.50 97.50 0.00 2.62 0.02 0.00 0.00 0.00 0.00 96.93 0.43 76 S C S 46.15 7.27 22.78 30.35 123.32 -167.80 -110.04 157.05 89.29 10.67 0.04 39.89 45.22 2.24 0.00 0.07 0.00 12.36 0.22 77 R C S 146.11 3.97 23.49 27.59 96.09 8.19 56.86 53.76 98.01 1.98 0.02 9.27 86.42 2.28 0.00 0.02 0.00 1.90 0.12 78 L C C 18.55 23.68 10.11 33.12 114.82 -151.85 -76.81 135.93 97.13 2.86 0.01 96.28 1.44 0.02 0.00 0.00 0.00 1.22 1.02 79 E C C 88.88 4.16 23.77 27.58 129.79 -173.35 -120.01 158.73 99.69 0.28 0.02 99.55 0.24 0.01 0.00 0.00 0.00 0.06 0.14 80 S H G 59.12 12.37 14.99 27.56 91.00 -104.68 -58.75 -32.14 3.65 0.02 96.33 0.22 0.24 2.28 0.39 96.86 0.00 0.01 0.00 81 E H G 122.27 4.20 21.15 26.11 90.25 63.19 -71.65 -16.36 2.92 0.02 97.06 0.11 0.16 1.97 0.30 97.45 0.00 0.02 0.00 82 D H G 15.42 20.29 16.56 37.12 94.51 61.09 -87.66 -3.26 3.81 0.04 96.15 0.49 0.38 1.76 0.43 96.91 0.00 0.03 0.00 83 F C C 43.76 18.06 20.39 38.28 117.57 103.79 -81.75 136.08 86.11 13.02 0.87 80.65 5.27 0.40 0.13 0.76 0.00 12.06 0.72 84 A E E 12.80 18.26 23.27 40.82 140.62 159.06 -148.17 170.00 20.93 78.99 0.08 18.19 2.65 0.21 0.02 0.06 0.00 77.80 1.06 85 V E E 32.24 15.74 25.51 41.06 118.89 -105.00 -105.27 131.65 2.44 97.54 0.02 2.25 0.16 0.02 0.01 0.01 0.00 97.46 0.10 86 Y E E 8.36 24.62 20.97 45.45 124.17 -167.26 -116.42 137.90 1.39 98.58 0.02 1.24 0.09 0.01 0.00 0.01 0.00 98.59 0.04 87 Y E E 34.02 16.41 26.99 43.15 127.63 -167.68 -121.71 142.41 3.28 96.66 0.06 2.80 0.23 0.04 0.01 0.02 0.00 96.82 0.08 88 C E E 4.22 24.71 20.88 45.62 123.61 -159.90 -115.51 137.52 9.95 89.77 0.27 8.21 1.27 0.28 0.07 0.13 0.00 89.77 0.27 89 Q E E 39.50 13.68 25.19 39.03 129.57 -173.94 -126.50 145.76 9.83 89.69 0.48 8.41 1.10 0.33 0.17 0.24 0.00 89.17 0.58 90 Q E E 45.44 16.59 18.17 34.53 119.12 -139.37 -102.79 134.77 21.34 78.06 0.60 18.20 2.47 0.67 0.19 0.36 0.00 77.04 1.05 91 Y E E 76.37 11.49 15.62 28.11 117.17 -164.77 -107.34 136.88 49.05 49.78 1.16 37.52 8.51 3.73 0.28 1.02 0.00 46.16 2.78 92 D C T 96.55 4.75 14.88 20.64 107.94 -56.73 -72.65 33.29 91.72 7.09 1.19 12.47 30.46 48.57 0.08 1.31 0.00 6.46 0.65 93 N C T 130.09 1.81 14.60 16.92 99.99 -31.26 -84.24 16.19 96.51 2.51 0.98 12.61 36.99 46.80 0.06 1.15 0.00 2.02 0.37 94 S C S 45.12 9.47 10.87 21.81 121.86 109.26 -104.23 144.46 88.27 11.31 0.42 40.50 46.26 2.42 0.08 0.39 0.00 8.32 2.01 95 P C C 84.50 5.53 16.56 23.02 105.57 -114.99 -70.45 125.77 87.81 11.50 0.69 44.74 33.05 9.72 0.08 0.74 0.00 10.95 0.71 96 W C C 81.75 16.12 13.53 29.13 119.85 -116.08 -105.23 134.36 61.69 37.43 0.88 44.51 11.92 4.85 0.13 0.86 0.00 36.48 1.25 97 T E E 62.52 9.48 20.58 30.63 124.23 -167.41 -119.42 138.08 31.53 67.78 0.69 26.88 3.40 1.05 0.26 0.49 0.00 63.81 4.11 98 F E E 55.43 18.94 15.42 33.33 116.30 -144.77 -99.43 131.53 30.16 68.80 1.04 23.07 5.79 2.48 0.41 0.78 0.00 62.55 4.91 99 G C C 25.11 11.85 17.88 29.82 120.14 -144.23 -83.70 -165.77 64.38 34.62 1.01 34.98 20.19 9.97 0.13 0.96 0.00 32.57 1.20 100 Q C C 128.00 4.10 20.48 24.89 105.47 -58.83 -83.87 30.75 69.70 28.98 1.32 33.08 25.58 11.92 0.16 1.28 0.00 26.80 1.20 101 G C C 23.14 15.59 14.45 29.19 125.08 -116.00 96.18 176.14 66.92 32.41 0.68 42.08 18.99 5.44 0.08 0.71 0.00 31.70 1.00 102 T E E 56.01 11.50 17.60 29.62 123.79 -90.64 -113.26 140.92 32.20 67.47 0.33 27.25 4.10 0.77 0.08 0.26 0.00 65.89 1.64 103 K E E 119.09 7.11 17.71 26.23 117.45 -135.71 -96.96 131.60 15.26 84.45 0.29 13.65 1.30 0.30 0.16 0.16 0.00 80.75 3.68 104 V E E 45.27 16.02 10.34 26.09 117.03 -158.24 -102.93 128.80 45.50 54.08 0.42 45.41 0.56 0.26 0.24 0.16 0.00 51.19 2.18 105 E C C 131.36 3.28 17.82 22.10 114.56 -146.04 -97.82 128.99 98.82 1.17 0.01 98.86 0.06 0.02 0.00 0.00 0.00 1.04 0.02