# 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 101.83 3.76 20.60 24.53 103.61 -128.75 -82.78 65.06 99.81 0.18 0.00 99.71 0.13 0.03 0.00 0.00 0.00 0.13 0.00 1 I C C 33.85 20.87 10.70 30.30 118.33 147.23 -100.99 130.03 62.82 37.09 0.09 61.62 0.60 0.18 0.01 0.05 0.00 36.82 0.73 2 Q E E 99.37 4.91 22.11 27.75 122.13 -167.75 -115.64 136.32 21.65 78.24 0.11 19.59 1.53 0.22 0.03 0.07 0.00 77.97 0.59 3 M E E 40.11 21.45 12.98 33.43 124.21 -164.66 -117.67 136.05 7.46 92.50 0.05 7.09 0.39 0.05 0.02 0.02 0.00 91.94 0.49 4 T E E 62.41 7.38 22.29 30.31 127.16 -171.85 -126.27 143.58 8.36 91.57 0.06 7.59 0.66 0.09 0.02 0.03 0.00 90.47 1.13 5 Q E E 67.51 16.65 15.12 31.04 125.66 -162.28 -119.44 139.60 33.73 66.13 0.14 27.07 6.39 0.52 0.03 0.12 0.00 64.83 1.05 6 S C C 54.17 9.33 18.03 27.98 121.28 -142.73 -102.45 150.31 80.48 19.39 0.13 57.75 20.89 0.91 0.02 0.14 0.00 19.65 0.64 7 P C C 57.66 8.26 16.91 26.22 116.50 17.75 -75.75 152.74 89.54 9.71 0.75 60.25 24.05 4.47 0.07 0.89 0.00 9.75 0.54 8 S C S 68.98 8.81 16.33 26.08 97.45 -150.47 -84.57 -20.27 81.40 18.11 0.49 25.80 50.52 3.76 0.03 0.54 0.00 18.77 0.57 9 S E E 58.14 6.28 20.22 27.75 135.03 20.87 -145.22 149.62 22.29 77.13 0.57 17.24 4.50 1.02 0.06 0.53 0.00 76.10 0.54 10 L E E 33.07 19.69 14.41 33.46 131.30 -175.57 -137.83 144.93 4.50 95.47 0.03 4.00 0.38 0.03 0.01 0.02 0.00 95.30 0.26 11 S E E 66.35 6.05 23.08 30.44 125.58 -159.62 -122.49 140.93 3.08 96.90 0.01 2.75 0.24 0.02 0.00 0.01 0.00 96.75 0.22 12 A E E 13.67 19.20 14.28 33.54 138.87 167.77 -147.28 160.36 15.51 84.44 0.05 13.77 1.13 0.09 0.01 0.03 0.00 84.46 0.50 13 S E E 55.65 4.67 23.52 27.95 124.64 -114.79 -92.64 159.65 41.24 58.55 0.20 36.16 3.91 0.61 0.08 0.17 0.00 53.76 5.31 14 V C T 63.53 14.58 14.07 28.64 109.05 -80.94 -60.04 134.80 98.44 1.06 0.50 0.54 4.30 93.99 0.02 0.37 0.00 0.64 0.14 15 G C T 45.76 4.29 19.75 24.75 95.98 22.65 89.02 -6.39 99.34 0.31 0.34 0.79 5.25 93.40 0.02 0.29 0.00 0.21 0.04 16 D C C 59.13 9.24 16.85 27.26 121.36 121.98 -80.53 153.40 95.75 3.98 0.26 58.73 36.53 0.92 0.05 0.23 0.00 2.92 0.62 17 R C C 129.30 7.84 19.50 28.51 119.81 -122.86 -96.69 137.11 78.80 21.18 0.02 78.86 0.72 0.04 0.00 0.01 0.00 19.77 0.59 18 V E E 11.78 22.41 14.51 36.91 127.80 -169.41 -126.58 142.97 1.90 98.10 0.00 1.98 0.03 0.00 0.00 0.00 0.00 97.83 0.16 19 T E E 61.33 7.95 25.21 33.65 117.92 -145.65 -108.26 128.75 0.44 99.56 0.00 0.45 0.00 0.00 0.00 0.00 0.00 99.54 0.01 20 I E E 4.73 25.67 16.57 43.10 120.20 -166.61 -113.75 128.53 1.26 98.73 0.00 1.18 0.03 0.00 0.00 0.00 0.00 98.78 0.01 21 T E E 41.24 9.59 27.02 37.38 121.41 -165.85 -114.65 134.70 4.36 95.64 0.00 3.92 0.12 0.00 0.00 0.00 0.00 95.92 0.03 22 C E E 3.89 25.90 17.01 43.46 125.98 -171.41 -125.10 138.40 5.13 94.87 0.00 4.66 0.17 0.01 0.00 0.00 0.00 95.09 0.08 23 R E E 100.60 7.66 27.54 36.01 121.07 -163.98 -116.95 130.95 3.75 96.24 0.01 3.47 0.16 0.01 0.00 0.00 0.00 95.93 0.42 24 A E E 9.19 23.89 14.28 37.87 123.20 -164.65 -105.02 142.27 26.74 73.14 0.13 25.56 1.10 0.15 0.04 0.08 0.00 71.28 1.81 25 S C C 47.53 7.80 20.80 29.07 116.91 -139.16 -91.24 161.08 79.30 20.16 0.54 51.85 24.72 2.45 0.08 0.54 0.00 19.26 1.10 26 H C S 120.82 5.90 18.10 24.59 102.94 -49.47 -84.81 -10.09 92.38 5.68 1.94 16.22 59.56 16.95 0.21 1.63 0.00 4.59 0.83 27 N C C 89.15 6.05 19.16 25.85 114.17 48.26 -101.27 129.33 93.19 4.40 2.41 55.85 21.63 15.52 0.33 2.52 0.00 3.22 0.94 28 I C C 46.44 18.31 14.22 31.56 105.91 -149.30 -88.93 61.99 86.85 7.92 5.24 50.61 21.07 15.08 0.88 4.84 0.00 5.01 2.51 29 Q C C 77.62 11.13 19.83 30.86 106.32 112.04 -89.92 45.09 87.69 7.56 4.75 48.06 24.41 15.33 0.57 4.60 0.00 5.81 1.22 30 N C S 73.38 10.69 21.08 31.40 101.08 60.42 -96.63 -9.14 85.21 12.22 2.57 27.52 49.90 7.59 0.23 2.24 0.00 11.61 0.91 31 F E E 55.88 13.46 22.72 36.16 128.59 34.36 -129.14 143.48 35.07 63.77 1.16 28.98 4.70 1.35 0.17 0.98 0.00 62.99 0.83 32 L E E 4.56 25.62 18.66 44.66 124.85 -164.60 -118.71 137.33 6.55 93.42 0.03 5.95 0.44 0.04 0.01 0.02 0.00 93.33 0.21 33 N E E 30.00 14.87 27.69 42.64 126.97 -167.69 -119.39 144.01 1.36 98.64 0.00 1.20 0.06 0.00 0.00 0.00 0.00 98.71 0.02 34 W E E 9.50 24.42 21.25 45.68 124.52 -156.11 -116.08 139.88 0.81 99.18 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.21 0.01 35 Y E E 28.43 15.65 23.70 39.67 132.09 -174.50 -131.43 151.70 0.63 99.37 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.39 0.03 36 Q E E 41.45 14.81 20.79 35.86 122.47 -147.22 -111.72 136.01 2.82 97.17 0.00 2.34 0.23 0.01 0.00 0.00 0.00 97.33 0.08 37 Q E E 55.67 13.34 15.50 29.50 119.63 -149.92 -105.65 134.98 30.82 69.16 0.02 27.93 1.87 0.08 0.00 0.02 0.00 69.07 1.03 38 K C C 98.11 6.23 14.95 22.59 119.12 -137.43 -93.00 144.74 97.64 2.33 0.03 95.49 2.23 0.18 0.01 0.02 0.00 1.68 0.39 39 P C T 105.63 3.51 11.20 16.71 109.37 -85.43 -58.92 133.91 99.58 0.13 0.29 0.48 4.01 95.11 0.01 0.28 0.00 0.08 0.03 40 G C T 69.19 0.29 12.66 10.35 96.11 17.36 83.34 -2.76 99.59 0.09 0.31 0.59 3.98 95.01 0.01 0.33 0.00 0.07 0.02 41 K C S 111.17 4.11 10.55 16.81 128.89 91.40 -116.28 159.95 93.75 5.88 0.37 32.74 59.79 1.36 0.08 0.31 0.00 2.19 3.53 42 A C C 74.35 2.65 16.20 19.30 115.94 -95.64 -71.14 148.94 97.43 2.54 0.03 87.86 9.63 0.17 0.00 0.02 0.00 1.97 0.34 43 P C C 45.04 17.57 10.97 27.80 115.05 -102.23 -65.84 145.01 91.73 8.24 0.04 89.80 1.94 0.14 0.00 0.03 0.00 7.80 0.28 44 K E E 101.29 6.97 21.10 28.91 123.19 -154.51 -118.00 138.45 10.98 88.94 0.07 9.43 1.43 0.12 0.02 0.04 0.00 88.28 0.67 45 L E E 63.75 15.66 17.80 33.06 110.88 -116.61 -74.28 126.98 1.04 98.95 0.01 0.93 0.05 0.00 0.00 0.00 0.00 98.98 0.04 46 L E E 23.19 17.98 20.91 38.93 101.37 175.33 -96.55 -35.49 2.25 97.73 0.01 1.61 0.51 0.02 0.00 0.00 0.00 97.83 0.01 47 I E E 11.46 21.26 21.37 42.57 136.87 3.25 -149.92 144.30 0.41 99.58 0.01 0.34 0.03 0.00 0.00 0.00 0.00 99.62 0.01 48 Y E E 62.56 16.75 23.78 39.45 127.81 -170.42 -130.16 136.53 1.84 98.12 0.04 1.61 0.09 0.02 0.02 0.01 0.00 98.18 0.07 49 A E E 13.67 19.50 20.42 39.50 119.64 -163.90 -111.97 132.95 22.77 74.75 2.47 18.69 3.32 1.00 1.25 0.98 0.00 74.05 0.71 50 A C C 30.73 14.38 19.72 34.09 120.35 -169.00 -113.34 146.32 49.11 26.86 24.03 31.45 11.69 7.77 7.32 15.08 0.05 25.07 1.58 51 S C C 58.08 9.50 18.81 28.38 103.55 -138.99 -88.24 -15.04 56.57 10.53 32.90 25.94 17.06 15.85 10.82 20.45 0.14 7.76 1.97 52 T C C 77.40 6.76 18.67 25.94 108.25 48.78 -97.23 49.00 56.86 9.39 33.75 30.28 13.11 15.00 12.36 20.49 0.12 6.16 2.50 53 L C C 57.69 15.67 11.94 26.90 110.19 117.31 -88.95 113.97 64.68 9.40 25.92 41.59 12.78 10.42 13.60 12.46 0.06 5.94 3.16 54 Q C C 112.02 5.64 15.13 22.11 110.73 84.05 -95.25 112.87 70.26 10.40 19.34 41.09 13.67 15.88 10.36 8.63 0.07 6.38 3.91 55 S C T 76.47 4.98 14.39 20.81 109.07 -120.98 -88.59 106.26 83.82 4.32 11.86 21.00 20.12 43.50 5.17 5.92 0.03 2.56 1.72 56 G C T 52.98 3.92 16.08 21.12 101.15 -13.06 84.55 0.07 93.86 2.92 3.21 23.20 29.73 41.32 0.62 2.45 0.00 1.84 0.84 57 V C C 48.82 13.73 12.13 26.49 117.61 110.23 -100.37 132.22 86.15 13.08 0.77 52.13 33.06 1.89 0.30 0.49 0.00 5.89 6.24 58 P C C 64.45 8.43 17.63 27.00 110.11 -110.18 -67.04 146.28 89.05 7.82 3.13 64.04 14.15 10.49 0.67 2.80 0.00 5.96 1.89 59 S C C 54.62 13.05 15.98 28.60 101.34 -132.35 -84.02 12.88 85.52 9.76 4.72 48.96 21.25 15.59 0.64 4.51 0.00 7.68 1.37 60 R C C 107.53 9.66 20.71 30.50 107.94 82.43 -105.86 39.15 66.68 29.20 4.13 38.01 21.90 7.51 0.68 3.24 0.00 27.23 1.42 61 F E E 29.77 22.36 14.01 35.65 124.60 111.28 -112.45 138.86 21.40 78.10 0.50 18.33 3.00 0.65 0.20 0.30 0.00 76.16 1.37 62 S E E 51.61 7.53 24.05 32.66 134.82 -174.59 -138.23 155.92 8.04 91.81 0.16 7.10 0.77 0.15 0.07 0.06 0.00 91.20 0.66 63 G E E 21.79 19.24 15.29 33.18 140.04 170.05 -153.86 164.57 9.51 90.38 0.11 8.16 1.11 0.21 0.03 0.06 0.00 89.94 0.50 64 S E E 63.30 5.30 21.81 28.62 134.73 -168.66 -144.01 157.00 17.67 82.20 0.13 15.21 2.06 0.36 0.03 0.09 0.00 81.52 0.73 65 G E E 30.27 10.50 15.97 27.36 139.48 120.74 131.79 -171.23 42.45 57.34 0.22 29.18 12.34 1.92 0.03 0.23 0.00 55.05 1.26 66 S C C 67.68 3.70 20.97 24.84 123.40 -79.50 -118.69 159.84 71.53 28.00 0.47 50.48 17.29 3.76 0.08 0.52 0.00 24.77 3.12 67 R C S 120.93 10.54 18.03 28.38 96.65 -76.35 -48.62 -44.59 98.44 0.96 0.60 3.23 65.87 29.52 0.03 0.54 0.00 0.68 0.14 68 T C S 57.17 13.37 16.88 30.06 101.39 12.27 -106.10 -4.36 98.17 1.37 0.46 2.87 65.53 29.97 0.02 0.41 0.00 1.07 0.14 69 D E E 57.31 9.00 22.02 32.07 120.68 67.31 -116.19 131.88 43.38 56.39 0.23 29.67 12.57 1.75 0.03 0.28 0.00 53.21 2.49 70 F E E 8.16 24.39 15.94 40.73 128.68 -175.09 -127.68 142.13 15.34 84.65 0.01 14.62 0.44 0.03 0.00 0.00 0.00 84.49 0.42 71 T E E 34.83 10.49 27.19 38.72 122.92 -163.05 -118.42 134.07 3.14 96.86 0.00 2.86 0.10 0.00 0.00 0.00 0.00 96.96 0.08 72 L E E 2.98 26.13 19.13 46.16 119.70 -163.32 -112.95 129.11 0.55 99.45 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.38 0.00 73 T E E 38.85 10.33 27.34 38.52 120.36 -164.08 -114.92 128.85 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 7.23 24.15 16.57 41.30 117.64 -165.78 -112.87 125.30 2.12 97.88 0.00 2.21 0.02 0.00 0.00 0.00 0.00 97.40 0.37 75 S C C 47.81 7.28 23.06 30.54 118.21 -164.39 -104.63 156.07 92.84 7.08 0.07 48.58 38.33 4.51 0.00 0.13 0.00 8.22 0.23 76 S C S 65.72 4.75 24.08 28.86 98.62 11.01 60.51 60.30 99.12 0.86 0.03 10.17 84.06 4.90 0.00 0.04 0.00 0.75 0.08 77 L C C 19.01 23.76 10.64 33.83 112.97 -145.34 -77.13 130.69 99.29 0.70 0.01 97.39 1.97 0.03 0.00 0.00 0.00 0.24 0.37 78 Q C C 81.91 4.47 23.88 28.19 130.10 -174.21 -124.81 154.38 99.89 0.10 0.01 99.42 0.48 0.00 0.00 0.00 0.00 0.01 0.07 79 P H G 71.22 12.54 14.89 27.71 90.82 -106.64 -58.38 -32.79 3.61 0.02 96.37 0.17 0.21 2.36 0.28 96.97 0.00 0.01 0.00 80 E H G 128.78 3.33 21.06 25.05 89.87 62.73 -69.73 -17.18 2.94 0.02 97.03 0.09 0.15 2.05 0.19 97.50 0.00 0.02 0.00 81 D H G 17.21 19.92 16.10 36.33 94.03 60.66 -87.55 -3.61 3.65 0.04 96.31 0.41 0.34 1.74 0.26 97.22 0.00 0.03 0.00 82 F C C 48.76 17.72 19.58 37.09 116.24 102.75 -79.23 134.29 91.13 8.52 0.35 86.57 4.50 0.17 0.04 0.29 0.00 8.05 0.38 83 A E E 16.28 16.31 23.20 39.10 142.28 150.79 -155.63 172.86 8.65 91.33 0.02 7.95 0.59 0.04 0.00 0.01 0.00 90.88 0.52 84 A E E 27.68 13.89 25.25 39.31 121.11 -91.18 -104.83 137.56 0.99 99.01 0.00 0.87 0.06 0.00 0.00 0.00 0.00 99.03 0.04 85 Y E E 8.57 24.82 20.13 44.95 125.14 -164.99 -117.04 139.83 0.53 99.47 0.00 0.44 0.04 0.00 0.00 0.00 0.00 99.50 0.02 86 Y E E 34.07 15.92 27.03 42.90 129.88 -168.40 -125.71 145.97 2.01 97.96 0.03 1.67 0.16 0.02 0.01 0.01 0.00 98.03 0.08 87 C E E 3.80 24.83 21.05 46.09 122.38 -155.65 -113.52 135.61 9.52 90.12 0.36 7.97 0.97 0.25 0.15 0.16 0.00 90.21 0.29 88 Q E E 39.75 14.03 25.34 39.33 124.78 -169.04 -119.94 139.75 12.59 86.80 0.61 11.01 1.19 0.35 0.25 0.28 0.00 86.17 0.75 89 Q E E 39.27 17.68 18.18 35.40 119.98 -156.68 -105.96 135.79 28.01 70.88 1.12 22.05 5.49 1.57 0.40 0.68 0.00 68.66 1.14 90 S C E 44.15 10.06 17.56 28.41 121.02 -158.99 -113.82 143.78 49.60 49.36 1.04 36.80 10.43 3.10 0.25 0.80 0.00 46.64 1.98 91 Y C S 129.79 7.70 13.27 22.15 109.51 -162.97 -105.78 56.56 76.99 21.56 1.44 28.02 31.68 18.36 0.19 1.34 0.00 18.47 1.93 92 G C S 55.53 2.06 14.96 17.36 110.90 -3.62 70.97 -81.49 95.49 3.49 1.02 16.47 54.14 24.98 0.08 1.06 0.00 2.68 0.59 93 L C S 110.20 3.57 12.93 18.14 119.23 -6.49 -103.71 136.11 92.73 6.44 0.83 21.53 61.11 10.11 0.09 0.83 0.00 5.19 1.14 94 P C C 78.71 6.29 15.02 22.60 114.16 -77.83 -69.65 147.51 83.13 16.06 0.81 54.69 21.12 6.64 0.11 0.83 0.00 15.57 1.03 95 R C C 93.37 13.68 14.38 28.14 116.82 -125.93 -90.42 137.31 57.88 41.61 0.52 49.37 5.44 1.65 0.09 0.44 0.00 41.93 1.08 96 T E E 50.67 11.88 19.59 31.86 125.02 -165.10 -118.91 140.75 19.58 80.14 0.28 16.92 1.85 0.42 0.13 0.17 0.00 75.80 4.71 97 F E E 53.36 18.13 16.90 34.35 118.44 -152.44 -101.91 135.05 23.37 76.27 0.36 18.62 3.78 1.02 0.15 0.26 0.00 71.46 4.70 98 G C C 20.59 13.27 18.88 32.07 123.02 -140.24 -82.04 -170.54 64.84 34.90 0.26 44.54 17.02 2.76 0.04 0.24 0.00 34.46 0.94 99 Q C C 114.62 5.62 22.79 28.76 107.97 -56.28 -78.95 120.23 74.06 25.70 0.24 58.65 12.25 1.79 0.03 0.24 0.00 26.37 0.67 100 G C C 15.39 18.78 16.42 34.01 127.63 -129.61 -85.42 172.15 63.83 36.05 0.12 56.17 5.02 0.53 0.01 0.10 0.00 37.63 0.54 101 T E E 26.70 16.61 19.49 36.23 127.13 -107.81 -118.82 145.28 10.52 89.46 0.02 9.67 0.51 0.03 0.00 0.01 0.00 89.48 0.29 102 R E E 115.50 9.34 23.35 33.12 120.08 -139.44 -103.75 134.27 1.28 98.72 0.00 1.11 0.08 0.01 0.00 0.00 0.00 98.76 0.04 103 L E E 12.86 22.99 14.57 37.50 121.00 -162.46 -113.49 132.67 1.05 98.94 0.00 1.01 0.03 0.00 0.00 0.00 0.00 98.93 0.02 104 E E E 94.02 5.68 23.45 29.53 118.24 -157.46 -106.97 129.54 2.40 97.60 0.01 2.37 0.07 0.01 0.00 0.00 0.00 97.43 0.11 105 I E E 30.20 20.17 11.02 30.47 116.15 -153.65 -99.68 126.28 20.14 79.81 0.05 20.36 0.23 0.04 0.02 0.02 0.00 78.59 0.74 106 K C C 128.08 4.02 19.45 24.33 114.84 -157.14 -100.86 128.51 99.44 0.56 0.00 99.47 0.05 0.01 0.00 0.00 0.00 0.45 0.01