# 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 101.21 3.83 20.78 24.76 104.63 -133.13 -79.07 68.76 99.80 0.19 0.00 99.71 0.12 0.02 0.00 0.00 0.00 0.14 0.01 1 I C C 34.64 20.81 10.72 30.29 118.33 -159.24 -100.01 130.12 61.35 38.55 0.11 60.20 0.56 0.17 0.02 0.05 0.00 38.25 0.75 2 Q E E 98.72 4.99 21.88 27.72 123.14 -168.96 -118.22 136.95 20.72 79.12 0.17 18.85 1.45 0.26 0.06 0.10 0.00 78.38 0.91 3 M E E 44.81 20.66 12.93 32.56 123.50 -160.61 -115.17 135.04 12.72 87.16 0.12 11.91 0.74 0.14 0.05 0.06 0.00 86.09 1.00 4 T E E 64.01 7.46 21.17 29.27 125.45 -171.18 -122.59 143.14 17.99 81.84 0.16 15.91 1.68 0.27 0.06 0.10 0.00 80.38 1.61 5 Q E E 75.48 14.39 15.60 29.66 126.23 -159.40 -121.78 140.47 46.54 53.25 0.21 35.76 10.26 0.87 0.05 0.19 0.00 51.64 1.24 6 S C C 54.69 9.98 17.05 27.67 120.95 -141.45 -104.42 145.41 83.26 16.60 0.14 61.85 19.82 0.94 0.02 0.14 0.00 16.46 0.75 7 P C C 57.34 8.97 16.58 26.45 116.39 14.03 -72.92 153.78 87.77 9.90 2.32 48.42 29.05 9.69 0.17 2.59 0.00 9.48 0.60 8 S C S 69.90 8.34 16.63 25.83 97.58 -143.78 -82.31 -19.76 75.98 22.08 1.95 25.56 40.23 9.33 0.11 2.07 0.00 21.93 0.77 9 S E E 57.27 6.74 19.85 27.77 134.94 22.77 -144.46 150.49 28.04 69.54 2.42 21.25 5.39 2.32 0.25 2.06 0.00 68.01 0.71 10 L E E 32.70 19.69 14.40 33.44 130.78 -174.97 -137.22 144.62 7.38 92.55 0.08 6.50 0.79 0.09 0.02 0.05 0.00 92.06 0.49 11 S E E 65.95 6.23 23.22 30.67 124.40 -157.09 -118.05 140.33 4.88 95.09 0.03 4.32 0.43 0.05 0.01 0.02 0.00 94.76 0.41 12 A E E 13.21 19.64 14.23 33.83 138.04 167.49 -147.40 160.23 20.45 79.48 0.07 18.03 1.77 0.14 0.02 0.05 0.00 79.34 0.64 13 S E E 55.36 4.78 23.65 28.23 125.12 -118.44 -94.25 159.36 42.68 57.07 0.25 37.04 4.46 0.68 0.10 0.20 0.00 50.61 6.91 14 V C T 63.68 14.59 14.23 28.79 109.02 -80.75 -60.32 134.52 98.38 1.15 0.47 0.52 3.90 94.40 0.02 0.33 0.00 0.69 0.15 15 G C T 45.32 4.42 19.85 24.98 96.12 22.88 89.08 -6.52 99.39 0.31 0.30 0.77 4.83 93.89 0.01 0.25 0.00 0.21 0.04 16 D C C 58.32 9.44 16.92 27.51 121.17 122.24 -78.97 152.83 95.96 3.84 0.20 61.60 33.98 0.75 0.04 0.18 0.00 2.93 0.53 17 R C C 127.24 8.27 19.58 28.93 120.53 -125.27 -99.69 137.31 72.81 27.17 0.01 73.07 0.56 0.03 0.00 0.01 0.00 25.65 0.68 18 V E E 11.40 22.30 14.90 37.22 127.72 -170.07 -126.23 142.92 1.10 98.90 0.00 1.12 0.02 0.00 0.00 0.00 0.00 98.75 0.11 19 T E E 60.89 8.33 25.08 33.88 118.53 -146.60 -109.11 129.09 0.42 99.58 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.01 20 I E E 4.88 25.52 16.82 43.11 120.77 -168.18 -116.37 129.43 1.54 98.46 0.00 1.44 0.03 0.00 0.00 0.00 0.00 98.51 0.01 21 T E E 42.29 9.66 26.96 37.36 120.67 -163.47 -111.76 134.98 5.66 94.33 0.00 5.17 0.13 0.00 0.00 0.00 0.00 94.66 0.04 22 C E E 3.99 25.80 16.91 43.21 126.55 -172.41 -125.19 140.80 5.78 94.21 0.00 5.35 0.19 0.01 0.00 0.00 0.00 94.35 0.11 23 R E E 103.09 7.46 27.30 35.54 120.61 -162.12 -116.45 131.70 5.30 94.68 0.02 4.96 0.26 0.03 0.01 0.01 0.00 93.91 0.83 24 A E E 9.83 23.56 13.99 37.16 122.57 -164.32 -105.24 141.12 44.65 54.97 0.38 42.17 1.81 0.35 0.12 0.24 0.00 53.21 2.08 25 S C C 52.64 7.26 20.36 28.09 110.60 -146.98 -89.83 149.17 84.21 15.03 0.76 49.66 30.51 4.11 0.10 0.77 0.00 13.83 1.02 26 Q C S 115.49 5.41 17.99 24.00 102.56 -41.20 -88.34 14.51 92.65 5.81 1.54 22.46 57.18 13.31 0.18 1.37 0.00 4.52 0.97 27 S C C 57.04 7.89 17.25 25.94 120.44 76.00 -105.09 148.02 93.44 4.51 2.06 55.36 25.44 12.49 0.31 2.12 0.00 3.00 1.29 28 I C S 71.01 13.16 16.25 29.23 102.85 -132.70 -87.10 -4.26 92.59 5.12 2.30 30.43 40.33 22.10 0.32 2.15 0.00 3.28 1.38 29 H C C 75.20 12.75 19.19 31.74 114.70 76.29 -97.37 124.78 90.00 8.26 1.74 46.58 24.54 18.91 0.19 1.87 0.00 6.88 1.04 30 S C C 36.86 14.08 19.86 33.60 102.76 164.44 -97.49 -15.52 83.65 15.64 0.71 42.65 38.03 3.01 0.08 0.66 0.00 14.76 0.81 31 F E E 59.05 12.33 24.28 36.95 128.03 37.08 -130.90 142.75 26.81 72.85 0.34 22.59 3.32 0.56 0.05 0.27 0.00 72.41 0.80 32 L E E 3.90 26.03 18.78 45.39 125.23 -162.02 -122.66 136.74 4.67 95.31 0.02 4.26 0.31 0.02 0.00 0.01 0.00 95.26 0.14 33 N E E 29.93 14.69 27.67 42.48 126.34 -168.00 -119.73 142.53 1.12 98.88 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.93 0.02 34 W E E 9.99 24.27 21.13 45.39 124.06 -155.60 -113.75 140.18 0.76 99.24 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.26 0.01 35 Y E E 29.15 15.55 23.70 39.57 132.02 -174.48 -130.70 150.50 0.66 99.34 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.36 0.04 36 Q E E 41.81 14.74 20.84 35.83 122.13 -143.76 -110.12 135.80 4.00 96.00 0.00 3.30 0.42 0.02 0.00 0.00 0.00 96.14 0.12 37 Q E E 54.66 13.59 15.56 29.75 119.94 -154.55 -107.56 135.80 37.22 62.76 0.03 33.51 2.55 0.09 0.00 0.02 0.00 62.73 1.08 38 K C C 97.09 6.38 15.18 22.93 119.52 -139.40 -92.93 145.85 96.94 3.03 0.03 94.28 2.72 0.21 0.01 0.02 0.00 2.23 0.52 39 P C T 103.33 3.97 11.32 17.29 109.28 -85.60 -58.87 134.24 99.72 0.11 0.17 0.43 4.28 95.03 0.00 0.16 0.00 0.07 0.02 40 G C T 69.27 0.29 13.01 10.60 95.99 17.18 83.64 -3.04 99.76 0.08 0.16 0.56 4.38 94.82 0.00 0.17 0.00 0.05 0.01 41 K C S 106.79 4.51 10.60 17.32 128.42 94.47 -116.26 155.49 93.52 6.38 0.11 28.53 65.24 0.34 0.03 0.06 0.00 2.00 3.80 42 P C C 94.91 2.54 16.32 19.31 115.68 -96.47 -66.92 149.56 98.05 1.94 0.02 90.63 7.42 0.14 0.00 0.02 0.00 1.56 0.23 43 P C C 46.52 17.47 11.22 27.92 114.63 -102.15 -65.22 145.99 93.98 6.00 0.03 91.58 2.29 0.19 0.00 0.03 0.00 5.67 0.25 44 N E E 76.53 7.64 21.42 29.66 123.89 -152.84 -116.93 137.65 14.97 84.94 0.09 12.78 2.06 0.21 0.02 0.06 0.00 84.02 0.85 45 L E E 59.47 16.27 17.87 33.64 111.28 -116.96 -76.95 125.66 1.40 98.59 0.01 1.25 0.07 0.01 0.00 0.00 0.00 98.62 0.05 46 L E E 24.41 17.81 21.30 38.98 101.49 176.05 -95.46 -34.88 2.17 97.82 0.01 1.56 0.48 0.02 0.00 0.00 0.00 97.92 0.02 47 I E E 13.54 21.13 21.46 42.27 135.37 4.74 -147.63 142.44 0.52 99.47 0.01 0.43 0.04 0.00 0.00 0.00 0.00 99.51 0.01 48 Y E E 59.07 17.26 23.22 39.37 127.48 -170.49 -128.64 136.19 2.84 97.08 0.07 2.49 0.17 0.04 0.03 0.02 0.00 97.14 0.11 49 A E E 17.32 18.20 20.93 38.64 118.83 -165.26 -112.40 133.64 28.31 68.05 3.64 22.80 4.61 1.47 1.81 1.61 0.00 66.84 0.86 50 A C C 31.78 14.85 19.08 33.73 117.83 -164.08 -106.80 148.55 48.36 20.24 31.40 28.46 11.85 10.15 9.34 20.37 0.08 18.04 1.71 51 S C G 63.93 8.36 19.29 27.69 101.35 -124.05 -83.56 -16.14 53.53 7.08 39.40 21.64 15.03 18.86 12.85 24.92 0.16 4.73 1.82 52 S C C 57.67 8.03 18.68 27.16 109.42 49.05 -98.98 74.01 52.82 6.85 40.33 25.76 12.48 16.24 14.00 25.13 0.11 4.20 2.07 53 L C C 55.91 16.47 12.66 28.21 108.55 57.31 -88.35 103.03 61.32 8.91 29.76 37.45 12.79 11.14 16.27 13.70 0.07 5.44 3.13 54 Q C C 108.73 6.38 15.72 23.28 111.68 167.71 -94.73 112.68 68.20 9.98 21.82 39.73 13.13 15.65 12.32 9.27 0.07 6.17 3.66 55 S C T 75.37 5.25 15.00 21.63 109.57 -110.16 -88.40 117.88 82.46 4.71 12.83 23.43 19.34 40.57 6.08 5.95 0.03 2.79 1.80 56 G C T 51.99 4.22 16.47 21.76 102.91 -4.61 85.24 0.46 93.77 2.69 3.53 25.76 28.73 39.71 0.76 2.59 0.00 1.61 0.84 57 L C C 51.39 15.31 11.36 26.60 117.78 111.27 -95.92 133.77 90.78 8.27 0.94 56.30 32.45 2.36 0.33 0.62 0.00 3.89 4.04 58 P C C 65.36 8.34 16.84 26.19 109.10 -106.75 -66.87 147.38 90.05 5.17 4.78 57.74 16.23 15.82 0.89 4.35 0.00 3.59 1.38 59 S C C 66.76 9.45 16.54 26.39 100.40 -112.50 -73.13 -3.08 85.58 7.44 6.98 45.19 20.25 20.44 0.89 6.56 0.00 5.38 1.28 60 R C C 103.08 10.65 19.23 29.87 101.50 76.73 -94.85 12.64 72.06 21.78 6.16 37.36 24.74 10.86 0.90 5.03 0.01 19.67 1.43 61 F E E 28.43 22.34 13.41 34.97 123.65 92.37 -111.33 138.51 24.12 75.11 0.78 20.00 4.05 0.93 0.29 0.49 0.00 72.91 1.35 62 S E E 55.02 6.56 23.66 31.39 134.32 -176.02 -136.16 156.03 8.02 91.82 0.16 7.00 0.85 0.16 0.07 0.07 0.00 91.30 0.54 63 G E E 23.57 18.27 15.44 32.45 141.49 165.85 -157.45 167.33 7.36 92.55 0.08 6.24 0.86 0.15 0.02 0.04 0.00 92.36 0.33 64 S E E 64.63 4.96 21.62 28.18 135.70 -169.84 -146.54 156.81 13.08 86.83 0.09 11.31 1.43 0.23 0.02 0.06 0.00 86.45 0.49 65 G E E 31.09 10.89 15.33 26.98 139.29 135.72 103.56 159.03 31.50 68.33 0.17 22.85 8.22 1.26 0.03 0.18 0.00 66.50 0.97 66 S C E 77.23 3.22 20.55 24.29 115.49 -110.12 -118.69 117.13 57.46 41.86 0.69 35.76 17.51 5.60 0.11 0.73 0.00 37.53 2.75 67 G C S 33.77 10.29 18.69 28.95 108.09 -49.75 66.14 -125.26 98.16 1.08 0.76 2.51 52.32 43.48 0.02 0.76 0.00 0.77 0.14 68 T C S 55.78 14.20 16.57 30.67 98.28 -10.06 -99.97 -2.06 98.13 1.25 0.62 2.46 52.80 43.05 0.02 0.59 0.00 0.95 0.13 69 D E E 60.77 8.80 22.31 32.24 119.40 84.31 -107.77 130.60 36.26 63.51 0.23 24.44 11.21 1.58 0.03 0.27 0.00 60.26 2.21 70 F E E 8.12 24.56 15.96 40.92 128.31 -174.18 -126.65 141.99 12.82 87.17 0.00 12.17 0.37 0.02 0.00 0.00 0.00 87.15 0.30 71 T E E 34.58 10.45 27.28 38.83 123.24 -162.32 -117.94 134.93 2.44 97.56 0.00 2.19 0.07 0.00 0.00 0.00 0.00 97.69 0.05 72 L E E 2.83 26.26 19.13 46.34 119.32 -162.17 -110.92 128.27 0.34 99.66 0.00 0.37 0.00 0.00 0.00 0.00 0.00 99.62 0.00 73 T E E 37.98 10.38 27.32 38.57 119.85 -163.66 -114.48 128.30 0.13 99.87 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.01 74 I E E 7.73 23.99 16.55 41.07 116.29 -164.66 -111.69 124.30 2.64 97.36 0.00 2.72 0.03 0.00 0.00 0.00 0.00 96.90 0.35 75 S C C 48.96 7.25 22.88 30.34 112.73 -164.31 -99.88 -22.34 95.10 4.85 0.05 48.02 42.61 3.59 0.00 0.09 0.00 5.51 0.18 76 S C S 64.59 4.69 24.17 28.75 104.72 9.43 58.99 81.83 99.26 0.71 0.03 12.73 82.47 4.12 0.00 0.04 0.00 0.56 0.09 77 L C C 21.59 23.47 10.94 33.86 112.26 -140.13 -77.53 127.60 99.47 0.51 0.01 97.61 1.88 0.03 0.00 0.00 0.00 0.17 0.30 78 Q C C 80.39 4.58 23.71 28.22 130.57 168.52 -126.88 156.96 99.89 0.10 0.01 98.91 0.97 0.01 0.00 0.00 0.00 0.02 0.08 79 P H G 71.83 12.30 15.25 27.86 91.02 -105.27 -58.51 -31.99 3.29 0.02 96.70 0.17 0.19 2.13 0.28 97.22 0.00 0.01 0.00 80 E H G 124.56 3.92 21.20 25.92 89.68 63.07 -69.84 -16.57 2.64 0.02 97.34 0.09 0.14 1.83 0.19 97.74 0.00 0.02 0.00 81 D H G 13.60 20.79 16.05 37.26 93.58 61.14 -86.73 -5.38 3.33 0.03 96.63 0.38 0.31 1.57 0.27 97.43 0.00 0.03 0.00 82 F C C 51.71 17.11 20.06 37.05 116.82 104.72 -77.52 136.51 91.94 7.71 0.35 87.78 4.21 0.16 0.04 0.31 0.00 7.17 0.33 83 A E E 14.77 16.41 22.89 39.06 143.79 145.50 -160.28 173.12 7.09 92.90 0.01 6.70 0.38 0.02 0.00 0.01 0.00 92.39 0.50 84 T E E 37.45 13.16 25.45 38.92 119.79 -87.80 -103.64 135.65 0.87 99.13 0.00 0.80 0.04 0.00 0.00 0.00 0.00 99.13 0.03 85 Y E E 7.33 25.20 19.63 45.02 125.07 -165.06 -116.65 138.87 0.51 99.49 0.00 0.44 0.03 0.00 0.00 0.00 0.00 99.52 0.01 86 Y E E 36.17 15.55 27.28 42.80 129.48 -169.82 -125.45 145.29 2.14 97.85 0.01 1.87 0.12 0.01 0.00 0.01 0.00 97.93 0.06 87 C E E 3.52 25.15 21.05 46.43 122.41 -157.87 -114.86 135.50 10.10 89.77 0.13 8.75 0.94 0.14 0.03 0.07 0.00 89.78 0.29 88 Q E E 39.40 14.21 25.99 40.07 127.16 -170.69 -122.24 140.07 11.29 88.47 0.23 10.27 0.86 0.18 0.08 0.11 0.00 87.83 0.66 89 Q E E 33.81 19.20 18.88 37.29 121.28 -151.46 -105.74 136.06 21.79 77.81 0.40 18.43 2.98 0.66 0.12 0.24 0.00 76.65 0.92 90 S E E 37.23 11.13 19.07 30.87 124.72 -168.34 -120.61 146.60 41.11 58.44 0.45 31.72 8.34 1.60 0.11 0.35 0.00 56.25 1.63 91 Y C C 107.07 10.52 14.33 25.53 108.31 -164.06 -102.51 41.37 65.94 33.50 0.56 43.38 19.32 4.00 0.11 0.52 0.00 30.19 2.48 92 I C S 104.81 4.56 14.55 20.19 113.40 52.24 -100.61 140.45 90.63 8.85 0.52 25.18 53.68 11.69 0.06 0.54 0.00 7.90 0.96 93 T C S 92.17 3.30 14.08 18.76 118.27 -19.10 -105.78 133.83 95.26 4.36 0.39 21.51 64.43 9.33 0.04 0.40 0.00 3.60 0.68 94 P C C 78.51 5.23 15.52 21.94 116.07 -1.98 -72.72 149.14 92.37 7.09 0.54 49.10 35.76 7.50 0.07 0.56 0.00 6.29 0.72 95 P C C 52.95 14.27 13.46 27.81 113.94 -107.10 -69.41 143.36 79.80 19.67 0.53 68.61 6.96 2.45 0.08 0.48 0.00 20.53 0.89 96 T E E 53.83 10.95 19.34 30.83 121.64 -155.73 -111.65 138.96 30.69 68.85 0.47 25.81 3.29 0.89 0.19 0.33 0.00 63.33 6.16 97 F E E 64.23 17.17 17.03 33.51 118.30 -149.28 -102.79 133.17 26.82 72.76 0.42 21.17 4.35 1.11 0.18 0.31 0.00 65.71 7.17 98 G C C 19.02 14.04 17.96 31.96 122.33 -138.98 -82.94 177.22 64.14 35.52 0.34 43.27 17.28 3.37 0.05 0.34 0.00 34.47 1.22 99 H C C 125.53 5.67 22.79 28.56 101.06 -73.79 -80.05 5.85 73.23 26.46 0.30 52.23 17.05 2.79 0.04 0.31 0.00 26.80 0.79 100 G C C 15.16 18.04 17.21 34.15 128.01 -125.28 90.98 173.42 64.48 35.37 0.15 54.54 6.75 0.79 0.02 0.14 0.00 37.21 0.56 101 T E E 24.21 17.74 19.19 36.89 127.35 -109.75 -118.98 143.53 11.42 88.56 0.02 10.48 0.54 0.03 0.00 0.01 0.00 88.66 0.27 102 K E E 98.70 9.72 23.70 33.66 119.92 -144.27 -106.87 132.62 1.12 98.87 0.00 0.99 0.06 0.00 0.00 0.00 0.00 98.91 0.04 103 V E E 10.71 23.09 15.03 38.16 120.21 -164.20 -115.33 129.76 0.71 99.29 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.27 0.02 104 E E E 93.26 5.69 23.93 29.94 116.79 -156.33 -103.99 127.67 1.85 98.15 0.00 1.83 0.05 0.01 0.00 0.00 0.00 98.02 0.08 105 I E E 26.30 20.95 11.09 31.32 115.75 -155.46 -101.01 126.58 18.82 81.14 0.04 19.12 0.21 0.03 0.01 0.01 0.00 79.97 0.65 106 K C C 127.06 4.10 19.92 24.78 113.60 -160.38 -97.04 129.27 99.34 0.66 0.00 99.39 0.05 0.01 0.00 0.00 0.00 0.53 0.01