# 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 A C C 48.21 12.13 18.25 30.30 116.86 -158.26 -97.76 132.99 99.40 0.59 0.01 99.49 0.06 0.02 0.00 0.00 0.00 0.41 0.02 1 L C C 63.86 14.05 14.79 28.75 118.37 -153.55 -103.81 132.50 63.48 36.18 0.34 61.85 0.98 0.56 0.15 0.15 0.00 30.25 6.06 2 T C C 71.48 8.52 16.34 25.98 120.41 -162.48 -109.14 135.11 60.41 39.24 0.36 49.50 8.48 1.13 0.13 0.30 0.00 33.41 7.06 3 Q C C 90.27 10.57 15.08 26.35 122.60 -149.16 -107.11 139.23 78.82 21.06 0.12 58.80 19.13 0.76 0.02 0.11 0.00 19.82 1.35 4 P C C 57.63 11.08 15.26 27.17 115.63 -100.57 -67.22 151.81 82.80 16.73 0.47 72.33 7.95 1.50 0.07 0.46 0.00 16.68 1.02 5 A C S 62.24 9.07 16.59 26.37 97.07 -132.32 -75.02 -28.84 82.86 16.89 0.26 34.36 46.03 1.95 0.02 0.26 0.00 16.80 0.58 6 S E E 59.03 7.41 19.76 28.10 134.85 4.35 -142.99 149.37 30.93 68.79 0.28 24.03 5.95 0.88 0.03 0.29 0.00 68.29 0.54 7 V E E 33.82 19.18 14.34 32.98 130.00 -172.31 -135.11 142.70 4.92 95.06 0.02 4.61 0.31 0.02 0.00 0.01 0.00 94.67 0.37 8 S E E 64.81 6.39 22.62 30.35 127.52 -164.50 -125.29 145.51 2.98 97.02 0.01 2.76 0.19 0.01 0.00 0.00 0.00 96.78 0.25 9 G E E 14.53 14.99 16.50 32.02 142.78 145.20 -166.48 174.14 18.09 81.89 0.01 15.32 2.29 0.07 0.00 0.01 0.00 81.35 0.96 10 S C C 56.92 4.85 23.09 28.04 126.41 -93.47 -111.12 152.62 92.02 7.96 0.02 89.24 3.01 0.11 0.00 0.02 0.00 7.01 0.61 11 P C T 65.70 13.14 14.15 27.45 110.23 -84.82 -60.22 137.05 98.76 0.94 0.30 0.69 4.01 94.34 0.01 0.22 0.00 0.57 0.14 12 G C T 50.08 3.39 19.18 23.28 95.35 22.64 87.14 -5.67 99.31 0.51 0.18 0.93 4.66 93.83 0.01 0.16 0.00 0.38 0.04 13 Q C C 80.36 7.83 17.08 26.20 122.97 120.46 -88.62 154.08 91.80 8.10 0.09 75.15 16.38 0.35 0.01 0.09 0.00 7.32 0.69 14 S C C 63.80 8.38 18.28 28.02 125.27 -136.31 -110.32 145.29 50.70 49.28 0.02 49.82 0.80 0.04 0.00 0.01 0.00 48.65 0.67 15 I E E 17.07 21.55 14.63 36.20 127.45 -166.52 -128.24 141.03 1.50 98.50 0.00 1.49 0.03 0.00 0.00 0.00 0.00 98.42 0.06 16 T E E 70.79 7.05 24.34 32.05 118.44 -147.55 -106.29 130.44 0.35 99.65 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.63 0.01 17 I E E 7.48 25.13 15.65 41.39 120.74 -166.91 -115.19 128.54 1.44 98.56 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.56 0.04 18 S E E 50.16 7.51 26.29 34.38 122.30 -162.55 -109.37 139.10 13.45 86.54 0.01 12.34 0.49 0.03 0.00 0.01 0.00 86.99 0.14 19 C E E 8.95 24.91 15.20 39.99 126.99 -170.20 -127.32 138.27 27.97 71.98 0.05 25.63 1.29 0.11 0.01 0.03 0.00 72.45 0.49 20 T E E 65.65 7.36 25.46 33.29 123.48 -166.94 -118.54 142.07 23.34 76.55 0.11 20.33 2.47 0.29 0.04 0.08 0.00 73.79 3.00 21 G E E 17.96 16.81 18.10 34.15 140.93 122.82 -153.21 175.50 36.71 63.04 0.25 29.14 7.38 0.78 0.08 0.22 0.00 59.04 3.35 22 T C C 60.84 8.37 22.28 31.16 127.84 -97.40 -117.67 152.25 62.45 36.71 0.84 53.20 7.21 1.28 0.25 0.64 0.00 34.64 2.78 23 S C C 42.53 16.07 14.12 29.67 101.50 -133.21 -83.00 -0.28 62.47 13.33 24.20 39.30 13.06 11.22 6.89 16.90 0.05 10.10 2.48 24 S C C 78.13 3.74 18.88 23.01 96.54 74.77 -78.49 -16.49 60.04 9.00 30.97 25.74 17.70 19.25 8.39 20.50 0.15 5.74 2.53 25 D C C 80.44 7.68 17.03 25.43 104.33 53.31 -93.70 29.42 57.80 11.79 30.41 30.65 13.71 15.80 8.23 20.72 0.08 7.95 2.85 26 I C T 43.42 18.70 11.96 29.38 102.78 96.74 -89.96 27.26 59.27 18.40 22.33 22.14 15.26 23.90 8.10 12.54 0.53 9.97 7.55 27 G C T 49.07 5.11 18.60 24.48 101.65 -52.65 64.00 4.68 84.00 3.58 12.42 12.07 17.13 54.64 3.31 8.93 0.03 2.24 1.65 28 G C T 46.94 5.17 19.29 24.84 100.85 -3.84 79.74 -1.91 87.40 3.72 8.87 12.33 25.56 50.04 1.48 6.94 0.01 2.47 1.17 29 Y C C 62.72 15.95 15.47 31.22 121.21 83.70 -106.47 138.58 66.38 30.14 3.48 36.02 20.78 11.01 0.93 2.76 0.04 22.01 6.44 30 N C C 57.63 13.29 20.96 34.23 102.18 -163.78 -96.67 2.86 62.48 36.47 1.05 41.96 15.89 4.73 0.20 0.93 0.00 34.74 1.55 31 Y E E 49.71 14.71 24.06 38.93 134.46 56.05 -136.84 150.61 25.73 74.08 0.19 21.06 4.17 0.54 0.04 0.15 0.00 73.12 0.91 32 V E E 3.58 26.07 20.99 47.49 124.82 -162.21 -121.26 136.15 4.57 95.41 0.02 4.11 0.28 0.03 0.00 0.01 0.00 95.41 0.16 33 S E E 13.29 17.40 27.40 44.51 129.25 -169.62 -122.57 146.69 1.36 98.63 0.00 1.28 0.04 0.00 0.00 0.00 0.00 98.65 0.02 34 W E E 9.64 24.18 22.24 46.22 126.97 -160.11 -120.59 143.28 1.03 98.97 0.00 0.94 0.04 0.00 0.00 0.00 0.00 98.99 0.02 35 Y E E 30.46 16.62 23.80 40.38 131.23 -171.78 -130.53 148.51 1.58 98.42 0.00 1.39 0.08 0.01 0.00 0.00 0.00 98.42 0.11 36 Q E E 38.76 15.06 20.83 36.09 123.72 -155.45 -117.68 137.54 9.51 90.48 0.02 8.40 0.73 0.06 0.00 0.01 0.00 90.50 0.30 37 N E E 56.78 12.32 16.60 29.55 116.52 -140.65 -96.93 130.70 46.46 53.49 0.05 40.48 4.55 0.24 0.01 0.05 0.00 53.45 1.22 38 H C C 74.65 8.80 13.63 24.02 120.24 -155.80 -103.78 142.64 94.50 5.44 0.07 88.23 6.06 0.46 0.02 0.06 0.00 3.56 1.61 39 P C T 107.69 2.92 12.05 16.68 108.80 -84.98 -58.72 134.25 99.51 0.14 0.35 0.64 5.23 93.64 0.01 0.35 0.00 0.09 0.03 40 G C T 68.41 0.36 12.73 10.86 96.04 16.21 83.30 -2.14 99.55 0.11 0.34 0.77 5.13 93.62 0.01 0.37 0.00 0.07 0.02 41 K C S 109.67 4.69 10.58 17.41 129.27 90.45 -118.42 159.04 90.90 8.73 0.37 30.57 58.82 1.52 0.09 0.27 0.00 2.92 5.80 42 A C C 71.50 3.06 16.93 20.47 116.47 -97.13 -70.63 149.20 96.65 3.33 0.02 86.23 10.49 0.13 0.00 0.02 0.00 2.77 0.35 43 P C C 41.60 18.27 11.87 29.49 115.63 -102.01 -65.22 145.95 93.41 6.57 0.02 92.05 1.46 0.07 0.00 0.01 0.00 6.22 0.20 44 K E E 91.30 8.85 21.81 31.19 124.78 -157.91 -119.29 139.15 8.39 91.60 0.02 7.50 0.60 0.03 0.00 0.01 0.00 91.47 0.38 45 L E E 52.12 17.38 18.46 35.23 112.94 -119.47 -80.74 129.64 0.66 99.34 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.02 46 I E E 24.23 18.27 21.51 39.13 104.83 175.79 -101.01 -20.31 1.02 98.98 0.00 0.92 0.05 0.00 0.00 0.00 0.00 99.02 0.01 47 I E E 29.28 18.22 21.93 39.49 128.66 3.49 -133.93 134.88 0.75 99.25 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.29 0.01 48 Y E E 39.62 18.37 20.15 38.13 124.55 -169.40 -123.90 133.94 2.86 97.12 0.02 2.49 0.15 0.01 0.01 0.01 0.00 97.26 0.07 49 D E E 43.27 10.55 22.56 33.82 110.64 -161.54 -111.05 109.20 14.74 85.06 0.21 13.29 1.09 0.19 0.06 0.11 0.00 84.60 0.66 50 V C G 31.21 19.75 14.28 33.65 96.24 -174.85 -74.82 -14.43 51.23 18.02 30.75 20.45 11.47 21.26 1.99 27.80 0.02 15.89 1.13 51 S C T 74.43 4.28 18.73 23.75 94.20 69.06 -76.35 -20.36 65.55 6.99 27.45 11.16 18.38 36.30 1.06 26.79 0.02 5.19 1.11 52 H C G 128.12 3.36 18.39 22.07 106.89 40.61 -111.92 51.43 67.78 5.49 26.73 22.00 21.10 24.94 1.10 26.27 0.00 3.26 1.32 53 R C C 84.68 16.83 10.73 26.36 117.13 124.26 -86.90 137.36 97.05 2.75 0.20 60.45 36.40 0.58 0.06 0.12 0.00 1.22 1.17 54 P C C 49.47 10.03 13.17 24.75 115.02 -109.30 -65.91 151.91 96.28 1.61 2.10 83.74 5.07 7.12 0.36 2.01 0.00 0.95 0.75 55 S C T 94.75 1.64 15.05 17.15 109.88 -89.78 -66.16 137.96 94.04 1.64 4.32 9.59 15.17 68.55 0.49 4.42 0.00 0.97 0.81 56 G C T 57.05 2.22 16.09 18.67 98.34 22.72 84.60 -3.69 93.02 2.58 4.40 14.75 16.41 61.50 0.49 4.39 0.00 1.68 0.77 57 V C C 32.31 18.44 8.96 26.22 113.60 106.69 -98.92 114.96 87.78 7.96 4.26 69.87 11.68 5.00 1.17 3.38 0.00 3.79 5.09 58 S C C 68.68 5.44 16.80 23.32 111.15 -160.62 -83.39 141.70 85.08 6.44 8.49 43.39 15.97 25.83 1.57 7.11 0.01 3.81 2.30 59 N C T 109.24 5.52 18.41 24.74 97.80 14.07 -29.60 28.80 84.01 4.19 11.80 29.37 21.93 33.38 1.55 10.00 0.01 2.60 1.17 60 R C S 77.34 14.28 17.83 31.70 98.46 105.77 -87.08 -14.55 84.97 7.57 7.46 29.76 40.82 15.03 1.04 6.05 0.01 6.27 1.03 61 F E E 18.49 23.16 14.62 37.37 128.68 43.34 -128.06 140.32 22.40 75.51 2.08 16.30 5.83 2.31 0.82 1.23 0.01 69.70 3.79 62 S E E 51.35 7.72 24.09 32.78 134.90 175.88 -138.27 155.13 10.29 89.57 0.14 9.25 0.95 0.16 0.06 0.07 0.00 88.21 1.31 63 G E E 21.98 19.76 14.67 32.92 140.46 173.30 -152.88 164.50 15.19 84.74 0.06 13.41 1.40 0.19 0.01 0.04 0.00 84.68 0.26 64 S E E 60.55 4.97 23.27 29.31 134.36 -160.49 -140.55 153.56 13.14 86.79 0.07 11.13 1.63 0.22 0.01 0.05 0.00 86.64 0.32 65 K E E 91.84 16.43 12.65 28.23 126.33 -155.19 -125.87 138.32 15.56 84.29 0.16 12.11 3.35 0.60 0.03 0.14 0.00 82.79 0.98 66 S E E 72.04 3.14 18.65 22.43 116.19 -174.38 -130.36 110.76 34.16 65.61 0.24 27.35 5.89 1.27 0.06 0.24 0.00 62.98 2.21 67 G C T 49.75 2.79 18.39 21.70 110.21 -48.79 61.35 -129.63 98.99 0.69 0.32 1.27 33.12 64.72 0.01 0.31 0.00 0.50 0.08 68 N C T 66.89 13.97 14.97 29.16 96.69 -16.58 -97.00 8.01 99.21 0.55 0.24 1.13 33.58 64.60 0.01 0.23 0.00 0.41 0.05 69 T E E 45.20 10.37 21.59 33.29 125.23 84.72 -115.05 138.55 18.03 81.94 0.03 13.82 4.21 0.23 0.01 0.03 0.00 79.77 1.93 70 A E E 3.41 24.67 16.70 42.07 126.76 -170.75 -126.61 141.05 4.98 95.02 0.00 4.71 0.15 0.01 0.00 0.00 0.00 94.89 0.24 71 S E E 30.35 10.57 27.36 38.87 124.82 -163.60 -120.46 139.47 5.67 94.33 0.00 4.84 0.25 0.01 0.00 0.00 0.00 94.85 0.04 72 L E E 3.22 26.36 18.44 45.65 123.80 -169.14 -123.22 132.43 0.97 99.03 0.00 0.94 0.02 0.00 0.00 0.00 0.00 99.03 0.01 73 S E E 36.41 9.84 27.44 37.98 121.45 -163.18 -115.69 131.61 0.21 99.79 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.02 74 I E E 5.43 25.34 16.59 42.65 119.17 -167.08 -117.69 125.18 1.53 98.47 0.00 1.63 0.02 0.00 0.00 0.00 0.00 97.98 0.38 75 S C C 52.32 6.78 23.59 30.84 128.86 -170.70 -123.51 151.75 77.70 22.22 0.08 42.32 23.61 9.18 0.00 0.10 0.00 24.36 0.41 76 G C S 45.08 3.46 23.91 27.83 94.56 17.97 70.42 24.36 98.71 1.26 0.03 5.81 81.56 11.23 0.00 0.04 0.00 1.30 0.07 77 L C C 13.35 24.62 9.99 34.06 115.90 -168.59 -73.98 139.32 99.08 0.91 0.01 98.53 0.80 0.03 0.00 0.00 0.00 0.40 0.24 78 Q C C 84.05 4.68 24.25 28.76 130.63 -169.37 -122.57 158.21 98.94 1.00 0.06 99.01 0.22 0.01 0.02 0.01 0.00 0.18 0.56 79 A H G 53.88 13.05 15.23 28.37 91.52 -103.58 -58.78 -34.06 2.71 0.01 97.27 0.17 0.17 1.67 0.41 97.57 0.00 0.01 0.00 80 E H G 129.73 3.09 21.47 24.90 90.13 62.42 -69.95 -16.61 2.31 0.03 97.67 0.10 0.14 1.53 0.32 97.89 0.00 0.02 0.00 81 D H G 16.37 20.64 14.99 35.79 93.40 66.53 -82.51 -3.92 3.50 0.03 96.47 0.54 0.36 1.44 0.48 97.15 0.00 0.03 0.00 82 E C C 76.64 13.61 20.19 33.73 113.46 116.04 -71.52 133.41 98.74 1.07 0.19 95.69 3.07 0.14 0.02 0.16 0.00 0.81 0.11 83 A E E 22.44 14.05 21.88 36.00 145.40 115.16 -164.92 168.99 16.61 83.36 0.03 15.47 0.90 0.06 0.01 0.02 0.00 81.18 2.36 84 D E E 56.93 10.54 25.15 36.03 117.18 -83.57 -92.04 134.45 2.30 97.69 0.01 2.14 0.14 0.01 0.00 0.00 0.00 97.60 0.11 85 Y E E 7.56 25.61 18.21 44.14 127.57 -169.95 -121.89 141.70 1.19 98.80 0.01 1.03 0.10 0.01 0.00 0.00 0.00 98.80 0.05 86 Y E E 40.69 15.42 28.00 43.50 126.73 -167.51 -121.01 143.71 2.10 97.88 0.02 1.74 0.19 0.04 0.00 0.01 0.00 97.91 0.10 87 C E E 2.11 26.52 22.38 49.13 125.98 -163.25 -118.78 141.95 5.75 94.19 0.06 4.63 0.80 0.12 0.01 0.05 0.00 94.22 0.17 88 C E E 12.07 18.01 27.20 44.97 133.14 -176.04 -132.74 152.24 5.49 94.39 0.12 4.67 0.59 0.12 0.02 0.07 0.00 94.34 0.19 89 S E E 7.85 22.05 21.89 43.56 130.40 -159.40 -126.60 146.71 5.64 94.22 0.13 4.66 0.77 0.17 0.03 0.08 0.00 94.04 0.25 90 F E E 45.76 13.62 21.49 35.65 123.65 -156.59 -118.83 136.95 10.58 89.25 0.18 9.07 1.31 0.24 0.07 0.12 0.00 87.73 1.46 91 T C C 40.92 12.72 15.75 29.07 116.00 -162.18 -99.85 163.40 55.73 43.66 0.61 45.83 6.74 1.76 0.09 0.54 0.00 44.04 1.00 92 D C T 99.68 4.35 15.94 21.17 100.64 -68.95 -79.43 -7.09 90.70 6.75 2.55 11.90 28.90 49.87 0.17 2.58 0.00 5.91 0.67 93 N C T 105.65 3.98 14.36 19.22 100.27 32.64 -87.49 14.71 96.90 0.78 2.32 8.91 30.09 57.60 0.15 2.52 0.00 0.53 0.21 94 N C S 107.04 5.83 15.07 21.95 99.33 -86.46 44.82 17.77 91.18 6.82 2.00 21.40 50.34 19.61 0.18 2.00 0.00 5.45 1.02 95 I C C 69.67 9.02 16.69 27.03 117.94 131.71 -101.87 130.34 75.27 24.49 0.24 57.31 15.00 1.55 0.04 0.24 0.00 24.67 1.19 96 P E E 43.69 16.17 17.77 33.58 115.37 -127.67 -78.62 138.71 39.41 60.51 0.09 36.27 1.83 0.25 0.02 0.06 0.00 60.73 0.84 97 A E E 22.34 16.76 21.33 37.77 124.27 -163.60 -116.17 138.01 7.99 91.96 0.05 6.87 0.85 0.12 0.02 0.03 0.00 90.28 1.82 98 F E E 55.59 18.67 20.64 38.09 119.78 -142.21 -101.25 134.36 13.64 86.26 0.10 11.22 2.06 0.42 0.03 0.08 0.00 84.58 1.61 99 G C C 16.45 17.71 20.07 36.52 119.86 -150.83 -91.33 -128.15 61.70 38.02 0.28 40.06 16.95 3.73 0.03 0.28 0.00 38.21 0.73 100 G C C 37.08 9.68 23.38 32.61 102.01 -99.92 -75.89 -6.03 72.03 27.76 0.22 44.96 22.53 3.60 0.02 0.25 0.00 27.94 0.70 101 G C C 16.23 15.96 19.60 34.91 125.73 -126.21 95.67 178.04 67.59 32.31 0.10 56.17 8.46 0.73 0.01 0.10 0.00 34.01 0.49 102 T E E 23.32 19.80 19.03 38.18 125.78 -95.21 -116.65 141.34 14.00 85.98 0.02 13.01 0.61 0.04 0.00 0.01 0.00 85.87 0.44 103 K E E 97.06 8.87 25.10 34.34 118.84 -141.10 -101.98 132.22 1.65 98.35 0.01 1.51 0.10 0.01 0.00 0.00 0.00 98.25 0.14 104 L E E 9.48 24.74 15.02 40.08 122.06 -163.06 -112.21 133.10 2.70 97.29 0.01 2.57 0.15 0.02 0.00 0.01 0.00 97.11 0.13 105 T E E 57.15 6.81 24.45 31.74 120.48 -162.72 -114.37 132.19 5.62 94.36 0.03 5.23 0.37 0.08 0.00 0.03 0.00 93.94 0.34 106 V E E 31.84 19.17 12.99 31.90 114.72 -145.74 -94.27 125.70 15.36 84.60 0.04 15.51 0.23 0.05 0.01 0.02 0.00 82.85 1.34 107 L C C 77.03 8.64 18.73 27.92 112.16 -159.11 -91.77 125.79 99.33 0.67 0.00 99.39 0.04 0.01 0.00 0.00 0.00 0.55 0.01