# 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 104.11 8.65 14.27 23.71 119.05 -160.61 -99.85 136.50 99.51 0.48 0.01 99.57 0.07 0.02 0.00 0.00 0.00 0.31 0.03 1 G C C 43.69 6.85 12.18 20.42 122.23 -167.63 -116.93 152.85 75.10 24.11 0.79 70.00 1.54 2.79 0.29 0.44 0.00 20.80 4.14 2 N C C 104.90 5.01 11.55 18.29 118.37 -157.79 -110.01 135.92 69.53 28.80 1.66 48.00 13.88 7.76 0.45 1.51 0.00 24.28 4.12 3 C C C 82.92 6.30 10.92 18.77 116.96 -163.74 -105.85 135.63 72.21 25.73 2.05 48.45 15.69 8.24 0.50 1.87 0.00 21.68 3.57 4 S C C 69.43 5.94 12.08 19.55 118.86 -168.28 -108.26 140.02 77.46 19.99 2.55 50.73 18.02 8.75 0.61 2.19 0.00 16.97 2.72 5 T C C 88.82 5.80 12.21 19.57 113.46 -162.19 -103.50 119.98 80.13 16.12 3.75 44.75 22.34 13.55 0.80 3.06 0.00 13.58 1.92 6 N C C 105.34 4.62 13.84 19.79 115.42 -160.09 -104.51 126.68 75.97 20.10 3.93 42.70 20.98 13.14 0.88 3.11 0.01 17.10 2.10 7 L C C 84.53 9.72 12.69 23.27 120.09 -153.97 -108.14 136.30 67.62 28.61 3.77 46.11 14.63 7.15 1.19 2.81 0.01 24.41 3.70 8 S C C 57.66 7.91 16.00 24.90 123.33 -166.43 -114.54 141.14 62.24 34.23 3.52 47.14 9.35 5.09 1.32 2.44 0.01 29.47 5.19 9 C C C 51.52 12.18 13.72 26.33 113.22 -149.96 -95.78 128.42 66.08 28.34 5.58 39.98 16.36 10.78 1.93 3.85 0.05 21.13 5.92 10 C C C 50.97 10.66 12.75 24.26 116.65 22.42 -104.51 132.44 78.56 15.85 5.59 48.78 18.87 11.28 1.93 3.75 0.02 10.72 4.66 11 A C T 68.22 5.68 12.45 19.43 104.46 -144.10 -76.96 82.91 84.59 6.57 8.84 32.66 20.14 32.95 2.33 5.90 0.02 3.97 2.04 12 N C T 124.77 1.81 12.78 15.18 102.58 27.86 -87.90 34.16 88.45 2.52 9.03 22.02 24.84 42.12 2.18 6.39 0.01 1.40 1.05 13 G C S 52.99 3.85 11.24 16.68 102.08 -93.38 78.96 8.21 87.95 3.20 8.84 29.50 30.67 28.18 1.93 6.71 0.01 1.70 1.30 14 Q C C 120.20 3.63 11.53 16.77 114.71 131.80 -93.13 131.76 86.55 7.18 6.27 46.42 22.56 17.80 1.93 4.64 0.00 4.68 1.97 15 K C C 121.04 7.16 11.24 19.80 116.46 -149.06 -96.90 132.79 81.28 14.11 4.61 57.96 16.04 6.93 1.92 3.00 0.00 11.95 2.19 16 T C C 80.49 6.55 13.68 21.49 117.31 -156.42 -103.90 132.81 66.53 29.74 3.73 47.42 14.45 4.34 1.89 2.02 0.01 27.83 2.04 17 I E E 89.70 8.75 13.90 23.60 117.10 -149.79 -102.40 130.63 40.55 56.64 2.81 31.40 7.65 1.87 1.89 1.29 0.02 51.59 4.29 18 V E E 55.32 12.71 12.88 26.24 119.04 -160.24 -104.48 129.20 35.80 62.30 1.90 31.32 3.17 0.85 1.34 0.73 0.00 59.67 2.92 19 Q E E 100.69 7.35 17.19 25.61 116.01 -161.02 -106.12 126.97 44.58 53.48 1.93 37.22 4.90 1.42 0.95 0.94 0.00 53.61 0.95 20 D E E 56.90 12.33 16.05 28.67 124.36 174.92 -118.85 139.19 45.05 52.91 2.04 31.41 11.21 2.61 0.69 1.20 0.00 52.14 0.73 21 K E E 99.80 10.02 18.67 29.28 123.19 -149.78 -116.25 135.02 26.81 71.22 1.97 22.07 3.56 1.35 0.91 1.04 0.01 70.09 0.96 22 V E E 37.18 16.79 15.78 32.56 118.15 -157.04 -108.29 129.27 14.62 84.27 1.11 12.67 1.53 0.72 0.74 0.55 0.00 82.08 1.71 23 C E E 61.50 10.19 19.16 29.72 114.85 -164.08 -107.69 121.27 20.10 79.28 0.62 16.06 3.37 0.85 0.33 0.35 0.00 77.94 1.10 24 I E E 48.74 12.97 16.96 30.69 131.89 149.06 -136.08 151.54 30.28 69.52 0.20 21.12 8.84 0.58 0.07 0.13 0.00 68.67 0.58 25 D E E 88.75 6.00 21.53 28.16 114.13 -110.89 -83.77 131.28 41.43 58.45 0.12 35.58 3.38 0.30 0.02 0.08 0.00 60.27 0.35 26 W E E 31.00 22.46 12.75 34.48 124.62 -168.55 -117.05 139.24 28.56 71.20 0.25 26.79 1.29 0.25 0.11 0.13 0.00 69.34 2.09 27 T E E 70.87 6.24 23.05 29.90 122.91 -164.40 -120.97 134.49 24.26 75.48 0.26 22.02 1.52 0.28 0.16 0.14 0.00 71.10 4.77 28 A C C 28.80 18.65 12.79 30.59 116.99 -151.30 -98.72 132.32 58.74 40.44 0.82 49.90 5.82 1.28 0.36 0.49 0.00 40.90 1.26 29 A C C 62.29 6.24 17.70 24.67 113.47 -152.39 -95.13 134.68 81.77 16.66 1.56 61.08 14.89 4.72 0.59 1.04 0.00 16.62 1.05 30 A C C 64.39 7.23 14.51 22.77 111.28 -104.55 -88.84 127.52 80.99 13.60 5.41 40.60 29.27 11.42 2.54 3.05 0.00 11.81 1.30 31 T C C 84.82 5.20 16.94 23.09 116.39 -113.39 -100.25 136.82 72.43 21.09 6.47 38.25 25.65 8.72 3.02 3.46 0.01 19.66 1.24 32 A C C 50.64 13.19 14.43 27.53 116.29 -115.81 -84.22 137.47 55.21 39.12 5.67 42.50 8.05 3.73 2.59 2.90 0.01 39.34 0.89 33 A E E 35.60 13.01 17.90 31.55 123.13 -164.77 -116.65 135.84 21.84 74.91 3.25 18.16 2.95 0.96 2.24 1.12 0.00 73.79 0.76 34 I E E 74.22 12.11 20.90 32.98 111.77 -128.04 -85.14 122.92 11.00 87.34 1.65 9.82 0.79 0.29 1.42 0.40 0.00 86.64 0.63 35 I E E 21.62 20.55 19.08 39.13 101.34 176.18 -94.00 -31.34 9.97 88.66 1.36 8.36 1.11 0.38 1.17 0.35 0.00 88.25 0.38 36 Y E E 42.02 17.01 20.89 37.55 139.17 2.21 -150.49 149.56 12.08 86.95 0.97 10.14 1.39 0.51 0.77 0.34 0.00 86.09 0.75 37 A E E 34.42 16.25 18.72 34.46 128.10 -166.80 -131.56 140.12 28.45 70.51 1.04 23.06 4.46 1.19 0.66 0.47 0.00 68.97 1.18 38 D C C 61.79 12.24 18.19 30.43 113.25 -164.39 -107.58 110.59 74.88 24.30 0.81 40.87 29.36 4.45 0.26 0.55 0.00 23.49 1.01 39 N C C 72.32 7.77 17.89 26.50 109.63 14.98 -101.88 103.76 90.25 8.69 1.06 65.48 18.31 6.27 0.21 1.00 0.00 7.45 1.28 40 I C T 79.35 13.05 12.77 26.00 96.37 -169.76 -74.10 -14.45 91.25 4.29 4.46 22.58 20.41 48.36 0.53 4.06 0.00 3.02 1.02 41 S C T 84.50 2.30 17.77 19.96 96.17 59.67 -85.57 -5.82 91.82 3.92 4.26 17.79 24.86 49.17 0.37 4.10 0.00 2.99 0.70 42 Q C C 68.29 10.43 13.94 25.58 121.15 85.54 -103.94 143.76 86.38 10.52 3.10 40.64 39.02 7.32 0.39 2.77 0.00 8.47 1.40 43 D C C 77.63 7.57 20.79 28.76 112.32 -118.95 -83.92 125.38 67.20 32.01 0.79 56.09 7.71 1.89 0.14 0.67 0.00 32.15 1.34 44 I E E 9.28 24.30 14.21 38.80 121.81 -161.05 -111.35 134.32 25.45 74.49 0.06 23.36 1.51 0.14 0.01 0.05 0.00 74.04 0.88 45 Y E E 87.34 9.60 26.73 36.78 126.74 -170.74 -124.40 139.55 6.14 93.85 0.01 5.70 0.35 0.03 0.00 0.00 0.00 93.55 0.36 46 A E E 4.04 25.16 17.81 43.19 133.63 -173.48 -135.21 150.38 3.77 96.22 0.01 3.35 0.28 0.02 0.00 0.00 0.00 96.24 0.11 47 S E E 31.66 11.63 26.54 38.64 137.50 -174.14 -142.71 156.31 3.16 96.84 0.00 2.79 0.19 0.01 0.00 0.00 0.00 96.95 0.05 48 G E E 5.85 17.78 22.73 40.82 145.39 127.33 -171.70 -175.32 1.05 98.95 0.00 0.81 0.12 0.01 0.00 0.00 0.00 99.05 0.01 49 Y E E 59.86 12.00 26.62 39.69 129.77 -86.70 -131.18 145.57 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 50 L E E 2.01 27.17 19.53 47.77 121.11 -158.96 -115.73 131.47 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 51 K E E 66.18 10.15 28.38 39.43 121.48 -166.56 -118.05 130.54 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 52 V E E 5.98 24.72 16.01 41.34 117.62 -160.13 -109.07 124.74 3.90 96.10 0.00 3.68 0.11 0.01 0.00 0.00 0.00 96.05 0.16 53 D C C 70.67 6.76 24.04 30.92 102.66 -172.14 -97.85 -15.00 69.99 29.93 0.08 36.19 29.97 1.96 0.01 0.09 0.00 31.40 0.38 54 T C S 63.38 9.48 19.93 29.48 121.45 20.12 -114.72 143.88 84.79 14.97 0.24 18.19 58.81 7.50 0.02 0.27 0.00 14.20 1.01 55 G C S 29.63 8.67 19.10 28.40 128.34 55.92 110.02 -173.24 91.40 8.35 0.25 32.33 54.12 5.35 0.03 0.29 0.00 6.75 1.12 56 T C C 88.44 5.71 19.70 26.45 115.59 -65.62 -103.41 130.10 93.27 6.53 0.19 47.71 42.39 3.74 0.03 0.23 0.00 4.59 1.31 57 G C S 24.69 8.12 20.84 29.66 134.73 63.30 138.63 -176.62 88.83 11.10 0.07 26.16 62.58 0.88 0.01 0.07 0.00 9.45 0.85 58 P C C 62.72 8.71 23.02 31.80 114.71 -53.03 -73.99 144.54 84.03 15.94 0.04 73.13 9.05 0.41 0.00 0.04 0.00 16.92 0.44 59 V E E 4.15 25.94 15.36 42.31 122.54 -155.04 -112.40 134.08 7.23 92.76 0.00 6.90 0.22 0.01 0.00 0.00 0.00 92.51 0.36 60 T E E 42.70 9.06 27.83 38.10 119.19 -155.80 -111.26 129.36 0.86 99.14 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.20 0.01 61 I E E 3.61 26.38 18.01 45.43 119.88 -163.04 -112.37 128.80 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 62 V E E 32.66 11.06 27.40 39.59 121.00 -167.18 -117.14 130.27 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 63 F E E 8.96 23.96 19.71 44.00 119.09 -159.85 -107.99 129.12 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 64 Y E E 44.50 12.53 22.47 35.95 122.14 -168.28 -116.60 133.72 3.65 96.33 0.02 3.09 0.29 0.04 0.00 0.01 0.00 96.37 0.19 65 S E E 33.98 13.32 17.72 31.49 112.12 -146.13 -92.65 130.53 33.86 65.74 0.40 22.31 9.52 2.97 0.06 0.37 0.00 64.12 0.66 66 G C T 38.31 8.38 17.09 25.90 107.96 -39.10 80.76 8.46 84.47 12.29 3.23 15.78 30.43 38.66 0.26 3.07 0.00 10.59 1.20 67 G C T 47.53 5.11 15.09 21.39 112.36 -9.60 87.49 -145.77 91.84 2.55 5.62 13.79 34.40 43.78 0.60 5.03 0.00 1.57 0.84 68 V C T 103.90 4.57 13.07 18.91 105.61 -15.66 -85.91 1.71 89.38 4.04 6.57 17.39 33.78 38.74 0.88 5.52 0.00 2.40 1.30 69 T C T 100.45 2.78 14.08 17.94 105.82 16.68 -92.99 72.17 90.34 5.54 4.13 27.10 24.99 38.77 0.61 3.45 0.00 3.93 1.15 70 G C C 38.47 8.12 12.92 22.07 118.81 -82.48 85.35 19.27 80.55 17.35 2.10 42.34 22.01 16.63 0.33 1.92 0.00 15.13 1.63 71 T C C 82.69 4.73 17.66 23.35 117.12 -104.29 -93.50 137.78 60.55 38.80 0.65 50.19 7.37 1.62 0.15 0.57 0.00 38.30 1.81 72 A E E 53.95 12.45 14.42 27.06 115.00 -116.80 -76.35 139.08 19.57 80.21 0.21 17.67 1.46 0.26 0.10 0.13 0.00 77.80 2.58 73 V E E 54.92 14.27 14.29 28.49 108.02 -145.34 -89.25 132.63 16.31 83.46 0.23 12.86 3.09 0.47 0.07 0.14 0.00 83.04 0.34 74 E E E 110.05 5.50 21.20 27.36 126.20 -84.94 -118.01 142.71 10.27 89.55 0.18 7.91 1.70 0.33 0.04 0.10 0.00 89.79 0.13 75 T E E 66.71 14.31 15.56 29.44 122.69 -135.20 -106.71 137.94 9.81 90.06 0.12 8.60 0.67 0.11 0.03 0.05 0.00 90.45 0.10 76 I E E 35.07 15.81 16.68 33.12 123.27 -163.30 -120.05 134.81 3.28 96.69 0.03 2.96 0.17 0.03 0.01 0.01 0.00 96.75 0.07 77 V E E 84.40 6.92 23.59 31.41 117.02 -144.09 -102.45 126.41 2.63 97.36 0.01 2.37 0.14 0.01 0.00 0.00 0.00 97.40 0.07 78 V E E 6.91 23.96 12.52 37.00 117.40 -163.35 -110.98 125.35 14.82 85.17 0.01 14.27 0.41 0.02 0.01 0.01 0.00 84.52 0.76 79 A C C 55.22 3.90 23.87 27.28 121.33 -137.37 -82.68 156.95 83.60 16.34 0.05 81.55 1.91 0.14 0.01 0.03 0.00 15.57 0.78 80 T C T 71.58 11.05 15.23 26.89 109.64 -78.10 -59.31 134.50 97.54 2.09 0.37 0.93 7.93 89.06 0.03 0.28 0.00 1.52 0.24 81 G C T 47.78 4.03 18.99 23.89 95.39 21.05 86.87 -5.30 97.58 2.20 0.22 1.51 7.19 89.02 0.01 0.20 0.00 1.97 0.09 82 S C E 44.51 8.80 17.69 27.62 129.20 111.82 -107.26 157.31 51.04 48.88 0.08 44.39 5.03 0.43 0.01 0.09 0.00 49.14 0.92 83 S E E 47.82 15.12 16.56 31.43 134.64 -163.39 -137.59 152.30 5.95 94.04 0.01 5.68 0.18 0.01 0.00 0.00 0.00 93.84 0.28 84 A E E 23.26 15.65 19.34 35.39 132.76 -169.84 -136.88 147.51 1.16 98.84 0.00 1.00 0.06 0.00 0.00 0.00 0.00 98.91 0.02 85 S E E 51.66 12.41 20.51 32.95 126.66 -159.91 -123.93 140.52 0.91 99.09 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.17 0.01 86 F E E 33.49 18.53 18.49 36.79 132.13 -174.96 -136.78 145.22 0.54 99.46 0.00 0.47 0.03 0.00 0.00 0.00 0.00 99.49 0.01 87 T E E 55.79 9.98 23.84 34.08 121.43 -149.04 -112.91 132.76 0.92 99.08 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.12 0.02 88 V E E 9.99 22.71 16.48 39.45 119.61 -166.06 -116.12 126.83 3.10 96.90 0.01 2.91 0.10 0.01 0.00 0.00 0.00 96.81 0.17 89 R E E 113.37 7.00 23.96 31.17 120.42 -165.58 -107.02 138.68 24.62 75.31 0.08 12.27 11.50 1.17 0.00 0.09 0.00 74.68 0.30 90 R C E 114.08 7.45 24.05 31.82 96.39 12.07 62.76 36.04 57.93 41.96 0.11 17.45 36.96 2.60 0.01 0.13 0.00 42.54 0.32 91 F E E 9.16 25.21 13.94 39.23 115.24 159.81 -84.43 130.67 40.96 58.93 0.11 39.33 1.25 0.15 0.01 0.09 0.00 58.39 0.77 92 D E E 61.86 8.22 24.31 33.17 102.03 173.00 -101.85 -25.90 32.83 67.13 0.04 15.67 17.69 0.43 0.00 0.03 0.00 65.88 0.29 93 T E E 41.60 9.73 25.49 36.25 132.22 16.02 -143.04 141.51 3.06 96.93 0.01 2.31 0.44 0.03 0.00 0.00 0.00 97.15 0.06 94 V E E 2.95 26.73 17.76 45.51 122.34 -166.80 -123.47 127.51 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 95 T E E 36.05 10.17 28.06 39.36 120.72 -166.74 -118.17 128.98 0.31 99.69 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 96 I E E 3.55 26.16 18.88 45.95 118.86 -165.67 -113.47 126.87 0.75 99.25 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.24 0.02 97 L E E 59.09 8.94 26.84 36.33 122.02 -170.13 -119.23 132.12 7.05 92.93 0.01 6.10 0.56 0.05 0.00 0.01 0.00 93.07 0.22 98 G E E 8.29 22.14 14.69 35.85 132.68 166.36 -129.35 159.40 48.49 51.38 0.13 39.64 7.09 0.56 0.02 0.11 0.00 51.93 0.65 99 T C C 79.64 5.64 22.04 27.76 100.28 -137.43 -89.69 -6.33 82.19 16.69 1.12 41.62 33.15 7.41 0.19 1.01 0.00 15.55 1.07 100 A C S 50.85 8.91 16.61 26.28 118.52 54.31 -100.10 147.73 88.29 8.58 3.13 32.30 39.16 17.46 0.60 2.59 0.01 6.16 1.72 101 A C C 65.74 6.97 18.47 25.99 108.48 -111.89 -79.56 112.57 88.85 7.19 3.96 45.93 27.73 15.24 0.81 3.44 0.00 5.40 1.44 102 A C C 51.41 9.88 18.60 28.88 121.54 13.40 -107.61 141.26 85.51 11.85 2.65 59.16 15.76 10.08 0.62 2.35 0.00 10.57 1.45 103 E C C 45.59 18.20 16.43 33.96 124.84 -167.25 -117.85 139.61 75.57 23.11 1.31 62.19 9.30 2.90 0.39 1.03 0.00 22.56 1.64 104 T C E 69.14 8.41 22.93 31.99 129.94 -165.38 -128.64 145.86 52.87 46.75 0.37 44.91 5.80 0.89 0.10 0.30 0.00 46.60 1.40 105 G E E 14.27 12.25 20.96 34.17 143.44 97.99 158.01 -172.82 19.91 79.96 0.13 16.03 3.38 0.43 0.03 0.11 0.00 79.29 0.74 106 E E E 74.62 9.71 25.17 35.58 126.89 -72.37 -121.46 142.00 7.26 92.68 0.06 6.56 0.56 0.09 0.01 0.03 0.00 92.47 0.28 107 F E E 5.35 26.08 17.96 44.65 124.15 -164.09 -119.65 135.95 3.74 96.23 0.03 3.52 0.25 0.04 0.01 0.02 0.00 96.04 0.13 108 C E E 26.71 11.77 27.21 39.95 122.06 -163.98 -118.16 133.13 2.91 97.07 0.02 2.67 0.22 0.04 0.00 0.01 0.00 96.97 0.08 109 M E E 4.54 25.96 19.01 45.49 122.11 -167.59 -118.96 130.41 2.80 97.19 0.01 2.66 0.15 0.02 0.00 0.01 0.00 97.07 0.09 110 T E E 36.22 10.22 26.93 38.05 119.86 -166.83 -117.70 127.54 3.17 96.82 0.01 2.99 0.13 0.01 0.00 0.00 0.00 96.79 0.07 111 I E E 13.27 22.91 17.43 40.42 117.48 -153.66 -98.08 128.81 5.42 94.56 0.02 4.95 0.35 0.04 0.00 0.01 0.00 94.53 0.12 112 R E E 87.66 9.85 23.32 33.30 120.42 -169.68 -116.01 130.23 9.04 90.92 0.04 8.10 0.70 0.09 0.01 0.02 0.00 90.81 0.29 113 Y E E 58.24 15.58 16.31 31.97 127.54 139.54 -127.48 140.73 13.76 86.21 0.03 12.59 0.82 0.07 0.01 0.02 0.00 86.02 0.47 114 T E E 75.94 6.21 18.28 25.45 115.24 -132.56 -92.78 130.14 21.48 78.46 0.06 20.48 0.72 0.11 0.02 0.03 0.00 77.27 1.37 115 L C C 63.04 13.93 9.67 23.43 110.30 -153.75 -91.92 114.34 84.40 15.43 0.17 84.26 0.59 0.26 0.05 0.07 0.00 13.93 0.83 116 S C C 82.73 2.66 16.22 19.57 109.12 -142.55 -86.68 113.58 99.88 0.11 0.01 99.76 0.10 0.05 0.00 0.00 0.00 0.08 0.01