# 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 G C C 38.44 6.34 15.63 23.08 126.62 -116.13 120.00 -174.05 99.86 0.13 0.00 99.64 0.24 0.03 0.00 0.00 0.00 0.07 0.01 1 P C C 94.39 4.53 14.62 20.44 112.43 -57.73 -75.69 148.41 92.77 4.51 2.71 81.18 2.80 8.66 0.58 2.03 0.00 4.16 0.60 2 S C C 60.01 9.82 11.84 22.39 116.03 -147.57 -97.07 137.73 73.80 22.51 3.70 48.55 14.25 10.40 0.71 3.32 0.00 21.46 1.30 3 Q C E 98.44 7.60 16.36 25.19 124.47 -163.34 -117.03 140.82 49.28 47.53 3.19 38.73 8.39 2.72 0.99 2.14 0.01 45.30 1.73 4 M E E 52.45 18.09 13.41 30.77 123.06 -157.64 -115.12 135.49 31.20 67.57 1.23 28.02 2.23 0.55 0.71 0.47 0.00 66.84 1.19 5 Q E E 92.27 6.73 22.19 29.67 123.01 -163.94 -118.48 134.74 20.43 78.55 1.01 18.71 1.33 0.36 0.71 0.29 0.00 77.52 1.09 6 L E E 39.68 20.89 13.56 33.48 119.66 -155.96 -105.51 131.87 24.21 74.68 1.11 22.25 1.34 0.39 0.76 0.32 0.00 73.89 1.04 7 V E E 71.95 7.50 21.60 29.78 121.62 -167.61 -115.41 134.73 30.29 68.21 1.50 25.78 3.29 0.92 0.89 0.59 0.00 67.21 1.31 8 E E E 88.87 13.30 16.09 29.13 118.98 -137.60 -96.19 135.96 46.06 51.73 2.21 33.65 9.20 3.36 0.84 1.32 0.01 50.32 1.30 9 S C C 57.29 10.27 17.38 27.90 109.04 -169.14 -99.38 39.21 69.25 29.43 1.32 40.51 19.35 9.29 0.28 1.11 0.00 28.37 1.09 10 G C C 36.72 8.76 18.56 27.64 117.90 -83.53 114.22 -140.12 76.58 22.70 0.72 33.11 32.19 11.10 0.09 0.74 0.00 21.81 0.97 11 G C C 34.21 11.67 16.75 28.34 129.17 -96.43 132.66 176.38 66.71 32.97 0.32 45.43 17.77 2.90 0.05 0.34 0.00 32.62 0.88 12 G E E 27.84 10.15 19.61 30.10 136.76 119.96 151.50 176.33 25.92 73.99 0.09 20.35 5.30 0.39 0.02 0.08 0.00 73.10 0.76 13 L E E 89.14 9.75 21.27 31.31 122.22 -77.37 -110.91 138.29 6.05 93.91 0.04 5.31 0.62 0.06 0.02 0.02 0.00 93.56 0.41 14 V E E 21.40 20.37 14.41 34.41 129.19 -173.60 -127.71 143.70 4.51 95.45 0.04 4.46 0.22 0.02 0.03 0.02 0.00 93.33 1.92 15 Q C C 96.04 4.83 23.09 28.10 120.47 -127.64 -82.20 151.48 59.09 40.78 0.13 58.78 0.84 0.16 0.05 0.08 0.00 38.66 1.44 16 A C T 55.47 12.59 14.32 27.14 109.56 -86.39 -59.40 136.25 98.30 1.30 0.40 0.39 2.68 95.63 0.02 0.29 0.00 0.90 0.10 17 G C T 51.43 3.03 19.54 23.09 96.47 22.92 87.71 -5.38 99.10 0.64 0.26 0.48 3.26 95.51 0.01 0.22 0.00 0.49 0.04 18 G C C 24.40 8.86 16.37 26.64 128.17 115.59 -88.56 171.13 93.00 6.94 0.05 73.10 19.61 0.27 0.01 0.06 0.00 6.49 0.46 19 S C C 56.87 8.98 20.31 30.26 130.29 -120.31 -123.89 151.89 52.72 47.27 0.01 52.67 0.66 0.03 0.00 0.01 0.00 45.70 0.93 20 L E E 17.05 22.93 15.70 38.38 127.06 -159.11 -126.28 139.81 1.57 98.43 0.00 1.50 0.04 0.00 0.00 0.00 0.00 98.31 0.15 21 R E E 116.23 7.70 25.19 33.72 119.64 -152.34 -114.31 130.03 0.66 99.34 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.34 0.02 22 L E E 6.15 25.70 16.65 42.82 123.88 -171.06 -120.54 136.29 3.61 96.38 0.01 3.36 0.15 0.01 0.00 0.00 0.00 96.37 0.10 23 S E E 41.31 9.54 27.00 37.11 125.19 -164.69 -115.78 143.61 19.17 80.79 0.03 17.48 0.86 0.06 0.01 0.02 0.00 81.39 0.19 24 C E E 6.47 25.24 17.07 42.39 132.27 -170.84 -137.39 146.82 26.13 73.76 0.11 24.21 1.42 0.14 0.04 0.06 0.00 73.50 0.63 25 A E E 41.41 9.61 27.23 37.45 123.73 -159.18 -115.11 138.64 17.50 82.29 0.21 15.90 1.24 0.19 0.11 0.11 0.00 77.59 4.86 26 V E E 14.11 24.14 15.59 39.44 127.47 -171.45 -125.59 140.76 39.28 60.15 0.57 35.20 2.92 0.64 0.19 0.41 0.00 57.46 3.17 27 S C C 56.00 7.71 22.15 30.12 122.17 -158.37 -107.76 141.61 63.82 35.31 0.87 41.65 17.17 5.65 0.14 0.91 0.00 32.87 1.61 28 G C S 36.10 6.83 19.67 27.19 122.85 33.13 117.00 -172.41 78.32 20.29 1.39 27.30 40.34 11.27 0.17 1.34 0.00 17.79 1.80 29 S C C 57.76 9.26 17.41 27.18 116.34 -62.98 -95.89 134.75 78.97 19.05 1.98 57.43 15.82 5.58 0.41 1.84 0.00 15.65 3.27 30 I C C 72.05 12.77 15.77 28.59 106.02 -163.72 -90.39 6.60 80.77 15.52 3.71 43.62 24.73 13.43 0.69 3.24 0.01 11.29 2.99 31 F C C 98.49 10.38 16.91 27.51 109.45 90.88 -98.51 83.02 82.79 12.79 4.43 34.97 29.69 19.32 0.68 3.81 0.01 9.41 2.11 32 S C C 57.33 8.89 17.75 27.03 104.74 82.13 -94.81 4.97 83.17 13.48 3.36 35.99 33.41 14.43 0.43 3.07 0.00 11.18 1.49 33 I C C 78.29 9.32 19.98 29.58 114.63 35.89 -106.59 111.34 66.92 30.89 2.19 38.56 21.26 7.70 0.35 1.96 0.00 28.36 1.82 34 I E E 20.99 21.29 16.26 36.99 124.03 115.08 -110.20 139.87 43.71 55.99 0.30 33.88 8.78 1.04 0.05 0.26 0.00 55.15 0.84 35 T E E 33.94 12.65 26.28 39.35 124.28 -160.88 -117.08 138.70 12.72 87.24 0.04 11.49 0.85 0.07 0.01 0.02 0.00 87.25 0.30 36 L E E 3.53 26.38 20.13 46.93 124.46 -163.71 -118.70 136.29 1.81 98.18 0.00 1.63 0.08 0.00 0.00 0.00 0.00 98.24 0.04 37 A E E 12.70 16.26 27.77 44.22 134.44 -176.04 -133.15 153.02 0.52 99.48 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 38 W E E 6.88 25.09 22.07 47.23 126.62 -150.93 -118.98 140.29 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 39 Y E E 28.10 16.28 25.40 41.61 133.01 -174.18 -133.96 149.99 0.26 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.01 40 R E E 39.04 18.48 21.24 39.09 123.80 -154.87 -114.35 137.72 0.65 99.35 0.00 0.56 0.03 0.00 0.00 0.00 0.00 99.39 0.01 41 Q E E 49.52 12.81 18.97 32.52 117.63 -149.99 -104.20 131.07 9.17 90.83 0.01 8.54 0.35 0.01 0.00 0.00 0.00 90.58 0.50 42 A C C 27.62 11.02 14.51 27.17 118.78 -132.89 -79.89 151.59 97.12 2.86 0.02 96.07 1.13 0.16 0.00 0.01 0.00 2.33 0.29 43 P C T 89.93 6.28 12.63 20.51 109.65 -79.00 -58.83 135.16 99.75 0.09 0.15 0.27 3.36 96.15 0.00 0.15 0.00 0.05 0.02 44 G C T 69.24 0.28 13.60 10.95 94.78 16.59 83.50 -2.64 99.77 0.06 0.16 0.38 3.45 95.93 0.00 0.18 0.00 0.04 0.01 45 K C S 104.22 5.22 9.60 17.05 128.69 93.57 -117.84 156.10 97.67 2.19 0.14 31.96 65.58 0.53 0.03 0.10 0.00 0.90 0.90 46 P C C 106.56 1.36 16.43 17.11 115.59 -94.81 -65.83 149.67 97.96 2.01 0.03 91.40 6.43 0.24 0.00 0.03 0.00 1.64 0.25 47 R C C 99.40 15.52 10.76 25.53 114.27 -104.85 -72.15 138.97 62.50 37.46 0.04 60.96 1.18 0.10 0.00 0.04 0.00 37.22 0.50 48 E E E 76.17 9.29 19.75 29.97 124.07 -162.70 -120.77 137.15 5.10 94.88 0.02 4.50 0.39 0.04 0.00 0.01 0.00 94.80 0.25 49 N E E 64.87 13.76 20.06 33.56 110.92 -117.19 -73.64 129.78 1.84 98.15 0.00 1.74 0.07 0.00 0.00 0.00 0.00 98.14 0.04 50 V E E 9.48 21.60 20.32 42.17 101.79 175.82 -100.02 -30.54 7.42 92.57 0.01 4.20 2.80 0.08 0.00 0.01 0.00 92.89 0.02 51 A E E 3.96 22.01 21.74 44.10 142.01 -2.49 -155.63 154.29 1.09 98.90 0.00 0.81 0.16 0.01 0.00 0.00 0.00 98.99 0.01 52 T E E 28.57 15.54 25.02 40.43 128.94 -162.91 -132.03 139.92 1.25 98.74 0.01 1.14 0.05 0.00 0.00 0.00 0.00 98.78 0.02 53 I E E 12.90 20.96 19.55 40.69 119.94 -162.52 -117.75 125.99 2.34 97.65 0.01 1.99 0.18 0.01 0.00 0.00 0.00 97.74 0.07 54 T E E 44.14 11.59 20.45 32.68 122.45 -169.29 -116.71 132.68 12.76 87.17 0.07 9.96 1.99 0.33 0.01 0.06 0.00 87.41 0.24 55 R E E 99.43 10.82 15.53 26.76 112.39 169.70 -122.48 97.57 36.49 62.41 1.10 14.98 13.08 11.40 0.14 1.02 0.00 58.19 1.18 56 G C T 50.25 3.14 16.24 20.19 109.99 -50.95 69.71 -131.05 95.34 3.43 1.24 5.98 28.99 60.35 0.06 1.34 0.00 2.90 0.37 57 S C T 88.63 3.04 14.75 18.74 99.35 -25.32 -90.96 1.05 97.02 1.79 1.20 6.68 34.94 55.35 0.06 1.30 0.00 1.42 0.25 58 R E E 137.27 3.85 17.37 22.52 123.03 85.10 -111.86 140.59 37.37 62.34 0.29 26.22 10.58 2.00 0.04 0.28 0.00 59.78 1.09 59 T E E 45.32 18.50 12.11 29.66 123.12 -159.56 -114.53 135.17 16.32 83.63 0.05 14.44 1.13 0.12 0.01 0.03 0.00 83.91 0.36 60 S E E 45.76 8.49 22.75 31.79 128.92 -173.66 -128.43 145.72 5.75 94.22 0.03 4.98 0.56 0.06 0.01 0.02 0.00 93.95 0.43 61 Y E E 78.51 18.07 16.15 33.21 125.57 -153.60 -114.66 141.56 13.08 86.83 0.09 12.05 0.88 0.11 0.04 0.05 0.00 85.11 1.76 62 A C C 18.93 16.08 13.91 30.63 115.05 -113.51 -72.73 148.57 90.66 9.00 0.34 87.76 2.42 0.36 0.07 0.21 0.00 8.65 0.53 63 D H G 115.51 2.14 18.33 21.11 92.83 -120.09 -61.19 -31.65 39.68 0.58 59.75 2.66 5.29 30.42 2.53 58.56 0.00 0.36 0.17 64 S H G 59.18 7.58 17.55 26.21 91.21 60.85 -70.73 -17.93 39.02 0.30 60.69 1.02 3.23 33.68 2.20 59.58 0.00 0.17 0.10 65 V H G 8.99 22.68 10.89 33.50 98.47 46.11 -101.08 -1.54 38.33 1.23 60.44 2.42 5.18 30.28 2.58 58.32 0.01 0.80 0.41 66 K C T 123.85 6.96 15.56 24.91 110.50 124.35 -61.08 130.27 90.83 4.33 4.84 2.45 4.68 84.47 1.40 2.52 0.02 2.29 2.17 67 G C T 61.00 1.44 19.03 19.67 94.73 11.94 80.12 -3.84 96.40 0.36 3.24 0.71 3.94 92.40 0.37 2.23 0.00 0.24 0.11 68 R C T 84.92 12.87 17.32 30.21 101.34 67.86 -100.45 -24.79 96.65 1.10 2.25 3.22 21.10 72.49 0.20 1.83 0.00 0.97 0.19 69 F E E 8.68 24.00 13.76 38.20 134.58 28.49 -138.79 151.46 13.13 86.81 0.06 9.04 4.19 0.30 0.02 0.05 0.00 84.44 1.97 70 C E E 51.45 8.07 26.50 35.28 126.83 -158.88 -124.21 142.95 2.14 97.85 0.00 1.99 0.08 0.00 0.00 0.00 0.00 97.84 0.08 71 I E E 18.45 24.29 15.60 39.72 123.68 -161.57 -120.17 132.08 1.90 98.10 0.00 1.87 0.04 0.00 0.00 0.00 0.00 98.05 0.04 72 S E E 46.50 7.72 25.71 33.72 130.16 -173.46 -129.25 149.41 3.74 96.25 0.01 3.41 0.17 0.02 0.00 0.00 0.00 96.31 0.08 73 K E E 70.25 19.03 14.14 31.90 126.65 -157.88 -122.51 137.00 9.17 90.75 0.09 8.04 1.04 0.15 0.03 0.05 0.00 90.01 0.69 74 D E E 58.19 7.49 17.23 26.05 108.96 -146.74 -100.38 107.97 40.49 59.25 0.26 37.55 2.00 0.40 0.08 0.18 0.00 57.94 1.85 75 N C T 98.58 7.59 13.42 22.65 93.46 -164.93 -68.36 -24.99 88.89 0.98 10.13 3.07 12.32 72.08 0.43 11.09 0.00 0.68 0.32 76 A C T 85.25 1.62 16.12 17.36 92.95 57.13 -71.54 -32.31 87.92 1.28 10.80 2.08 10.60 74.02 0.46 11.57 0.01 0.81 0.45 77 K C T 106.87 5.73 16.87 23.20 98.80 31.20 -98.50 -3.01 91.50 0.37 8.14 2.86 12.66 74.34 0.35 9.40 0.00 0.22 0.17 78 S C T 33.36 14.39 16.21 31.25 95.92 -127.33 57.86 41.00 99.09 0.44 0.47 9.68 10.16 79.27 0.06 0.42 0.00 0.35 0.06 79 T E E 25.32 12.74 22.01 35.84 129.72 133.01 -125.13 149.19 16.62 83.36 0.02 14.28 1.83 0.12 0.01 0.02 0.00 81.01 2.73 80 V E E 4.44 24.70 19.24 44.51 122.90 -157.47 -118.84 133.32 3.45 96.55 0.00 3.23 0.10 0.01 0.00 0.00 0.00 96.46 0.19 81 Y E E 52.07 12.97 27.25 40.74 121.30 -161.03 -113.91 132.36 2.89 97.11 0.00 2.57 0.09 0.00 0.00 0.00 0.00 97.33 0.01 82 L E E 2.72 26.34 20.14 47.29 120.72 -164.18 -115.03 130.29 0.32 99.68 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.00 83 Q E E 52.59 11.38 27.46 39.41 119.21 -162.11 -112.34 127.58 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.81 0.01 84 M E E 7.46 24.55 17.34 42.22 120.08 -169.79 -115.98 126.40 16.43 83.57 0.00 16.93 0.10 0.00 0.00 0.00 0.00 82.10 0.87 85 N C C 62.70 8.29 22.89 31.35 121.37 -156.32 -94.70 155.59 97.63 2.33 0.04 47.32 45.46 4.53 0.00 0.08 0.00 2.45 0.16 86 K C S 124.68 4.22 23.99 28.32 96.31 7.97 57.88 58.80 99.34 0.63 0.03 10.98 83.51 4.90 0.00 0.04 0.00 0.46 0.11 87 L C C 14.45 24.42 10.53 34.63 115.09 -154.84 -73.52 136.60 99.35 0.63 0.01 97.46 1.91 0.02 0.00 0.00 0.00 0.18 0.43 88 K C C 92.78 4.77 24.36 29.08 129.47 -172.88 -123.93 156.01 99.90 0.09 0.01 99.35 0.55 0.01 0.00 0.00 0.00 0.02 0.06 89 P H G 70.84 12.57 16.10 28.77 91.42 -103.51 -58.97 -31.93 5.64 0.04 94.32 0.33 0.36 3.50 0.17 95.62 0.00 0.02 0.00 90 E H G 115.90 4.84 21.67 27.37 90.22 62.96 -70.83 -15.10 4.67 0.06 95.28 0.20 0.31 3.02 0.13 96.28 0.00 0.04 0.00 91 D H G 12.38 21.50 16.96 38.81 93.99 66.36 -84.14 -1.85 6.33 0.12 93.55 1.53 0.74 1.92 0.27 95.44 0.00 0.10 0.00 92 T C C 28.83 17.16 21.49 38.78 115.38 107.48 -78.87 136.06 90.41 9.49 0.10 89.00 1.68 0.07 0.01 0.08 0.00 8.90 0.25 93 A E E 10.48 19.22 23.66 41.99 144.37 154.84 -155.28 170.71 1.78 98.22 0.00 1.70 0.07 0.00 0.00 0.00 0.00 97.96 0.27 94 D E E 32.36 15.53 26.43 41.86 119.88 -93.83 -102.29 135.68 0.57 99.43 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.02 95 Y E E 5.82 25.61 21.49 47.22 122.48 -161.40 -111.71 137.36 0.95 99.05 0.00 0.81 0.06 0.00 0.00 0.00 0.00 99.11 0.02 96 Y E E 30.29 17.70 27.66 44.77 130.11 -171.43 -126.16 147.23 2.95 97.03 0.02 2.59 0.21 0.03 0.00 0.01 0.00 96.97 0.20 97 C E E 3.50 25.22 22.21 47.36 128.96 -164.65 -127.21 141.90 10.40 89.49 0.11 9.04 0.98 0.16 0.03 0.06 0.00 89.13 0.60 98 N E E 29.17 14.88 26.63 41.43 127.77 -166.76 -124.27 144.15 14.36 85.39 0.25 12.08 1.86 0.39 0.07 0.14 0.00 84.21 1.25 99 A E E 10.70 21.06 17.79 38.76 126.45 -165.84 -120.87 141.95 25.29 74.31 0.39 20.24 4.52 0.96 0.11 0.29 0.00 72.02 1.87 100 E E E 103.93 7.71 20.25 28.60 120.32 -149.05 -110.53 136.48 41.16 58.27 0.57 28.06 12.21 2.88 0.12 0.54 0.00 54.27 1.93 101 G C C 31.21 7.57 14.84 23.71 135.36 94.93 135.78 -176.76 72.88 23.71 3.40 28.24 25.11 21.10 0.37 3.17 0.01 20.15 1.85 102 P C T 116.17 1.83 15.15 17.24 94.91 -55.96 -70.79 -20.67 93.46 1.16 5.38 11.99 27.49 53.62 0.50 5.30 0.00 0.73 0.37 103 A C T 68.56 5.61 13.97 20.78 101.52 43.92 -92.78 4.55 91.28 2.76 5.97 12.89 27.58 50.69 0.59 5.68 0.00 1.94 0.63 104 G C C 29.32 8.47 17.39 26.72 124.72 -112.34 103.84 20.14 59.36 38.16 2.48 35.59 15.23 10.40 0.34 2.33 0.00 34.24 1.87 105 Y E E 87.47 15.15 17.23 31.83 122.31 -63.07 -109.00 137.75 30.21 69.20 0.59 24.88 3.61 1.17 0.23 0.45 0.00 63.81 5.85 106 W E E 64.68 16.92 18.75 35.07 111.16 -167.22 -101.38 106.90 30.03 69.50 0.47 24.21 4.15 1.70 0.20 0.35 0.00 64.21 5.17 107 G C C 18.26 16.30 20.41 35.58 122.95 -132.60 86.10 -166.38 65.21 34.54 0.25 45.63 15.47 3.97 0.05 0.27 0.00 32.88 1.74 108 Q C C 96.07 9.08 23.97 33.02 100.58 -78.28 -82.50 7.78 74.40 25.46 0.14 59.00 13.24 1.54 0.02 0.13 0.00 24.91 1.15 109 G C C 14.10 19.80 17.63 35.97 125.16 -125.02 77.65 173.26 70.02 29.92 0.06 61.48 6.68 0.46 0.01 0.05 0.00 30.67 0.65 110 T E E 26.35 16.90 21.48 38.16 123.54 -106.55 -109.93 139.57 19.12 80.88 0.01 18.20 0.64 0.01 0.00 0.00 0.00 80.63 0.51 111 P E E 67.39 10.20 24.21 34.38 114.79 -118.51 -75.48 138.64 3.12 96.88 0.00 2.95 0.11 0.00 0.00 0.00 0.00 96.83 0.10 112 V E E 10.30 23.75 15.44 39.19 123.61 -164.66 -118.59 136.35 1.77 98.22 0.00 1.78 0.05 0.00 0.00 0.00 0.00 98.10 0.07 113 T E E 61.76 7.57 24.56 32.44 121.69 -156.62 -108.95 137.18 3.43 96.56 0.01 3.40 0.11 0.01 0.00 0.00 0.00 96.13 0.35 114 V E E 20.46 21.86 12.50 33.68 118.90 -154.50 -108.53 131.05 26.20 73.75 0.05 26.15 0.32 0.05 0.02 0.02 0.00 72.33 1.12 115 S C C 60.74 6.07 20.69 27.01 118.99 -156.98 -99.65 151.66 99.75 0.24 0.00 99.75 0.06 0.01 0.00 0.00 0.00 0.17 0.00