# 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 100.68 3.94 21.02 25.12 104.14 -127.22 -76.69 65.71 99.82 0.18 0.00 99.73 0.12 0.02 0.00 0.00 0.00 0.13 0.01 1 I C C 32.73 21.13 10.81 30.72 118.35 -156.06 -99.32 130.59 60.32 39.60 0.08 59.30 0.57 0.15 0.02 0.04 0.00 39.20 0.72 2 Q E E 96.25 5.24 22.35 28.30 123.17 -168.28 -118.33 136.98 16.54 83.36 0.10 15.10 1.15 0.17 0.04 0.06 0.00 82.79 0.70 3 M E E 43.59 20.93 13.28 33.17 123.27 -159.40 -111.89 135.97 8.41 91.52 0.06 7.97 0.47 0.08 0.02 0.03 0.00 90.74 0.69 4 T E E 60.38 8.25 21.29 30.05 125.65 -171.89 -122.35 144.40 13.87 86.01 0.11 12.21 1.43 0.20 0.04 0.06 0.00 84.58 1.47 5 Q E E 77.33 13.89 16.55 30.18 125.43 -155.01 -121.45 139.92 44.28 55.56 0.16 32.79 11.35 0.78 0.03 0.15 0.00 53.67 1.24 6 S C C 50.94 11.24 16.83 28.48 122.51 -144.02 -102.13 148.85 83.50 16.41 0.09 56.82 25.27 0.90 0.01 0.10 0.00 16.23 0.67 7 P C C 55.29 9.55 16.85 27.17 116.19 10.45 -72.17 151.90 92.01 7.66 0.34 68.70 19.89 2.74 0.04 0.40 0.00 7.74 0.49 8 S C S 69.05 8.39 16.80 26.09 97.16 -146.53 -84.88 -19.87 85.53 14.24 0.24 28.34 53.68 2.48 0.02 0.27 0.00 14.74 0.48 9 S E E 57.55 6.52 20.12 27.88 135.21 20.27 -145.66 151.01 22.89 76.88 0.22 17.78 4.59 0.62 0.02 0.23 0.00 76.30 0.47 10 L E E 33.22 19.57 14.66 33.60 131.88 -175.20 -138.86 146.22 3.73 96.26 0.02 3.32 0.28 0.02 0.00 0.01 0.00 96.16 0.21 11 S E E 65.73 6.28 23.23 30.71 124.98 -156.90 -118.84 140.01 2.84 97.16 0.01 2.54 0.19 0.01 0.00 0.00 0.00 97.06 0.19 12 A E E 12.29 19.57 14.51 34.17 138.87 166.78 -147.80 160.31 17.59 82.38 0.04 15.94 0.98 0.06 0.01 0.03 0.00 82.56 0.43 13 S E E 54.75 4.85 23.77 28.43 124.72 -116.86 -92.16 159.85 42.13 57.66 0.21 37.42 3.75 0.52 0.08 0.17 0.00 51.97 6.09 14 V C T 62.28 14.87 14.31 29.14 109.19 -80.84 -59.63 134.81 98.61 0.93 0.46 0.40 3.47 95.14 0.02 0.32 0.00 0.53 0.12 15 G C T 44.73 4.42 20.01 25.21 95.88 23.16 89.45 -6.38 99.42 0.28 0.30 0.62 4.21 94.68 0.01 0.25 0.00 0.19 0.04 16 D C C 56.71 9.76 16.78 27.76 120.70 124.48 -75.91 151.47 96.61 3.22 0.18 66.43 29.89 0.62 0.03 0.15 0.00 2.36 0.51 17 R C C 130.20 7.67 20.00 28.80 119.47 -124.43 -96.61 135.74 74.37 25.61 0.01 74.77 0.58 0.03 0.00 0.01 0.00 23.89 0.71 18 V E E 10.89 22.66 14.58 37.26 128.43 -172.31 -127.69 143.45 1.70 98.30 0.00 1.76 0.02 0.00 0.00 0.00 0.00 98.09 0.13 19 T E E 61.00 7.95 25.43 33.86 117.54 -145.52 -107.44 128.23 0.42 99.58 0.00 0.43 0.00 0.00 0.00 0.00 0.00 99.56 0.01 20 I E E 4.22 25.90 16.73 43.54 120.23 -166.39 -114.25 128.83 1.13 98.87 0.00 1.07 0.02 0.00 0.00 0.00 0.00 98.90 0.01 21 T E E 40.01 9.84 27.19 37.84 121.75 -164.95 -113.55 134.84 4.03 95.97 0.00 3.69 0.07 0.00 0.00 0.00 0.00 96.21 0.03 22 C E E 3.68 26.01 17.32 43.88 125.90 -170.88 -125.05 137.83 4.75 95.25 0.00 4.30 0.14 0.00 0.00 0.00 0.00 95.49 0.06 23 R E E 98.89 7.84 27.74 36.46 121.43 -165.27 -118.63 131.75 3.12 96.87 0.01 2.90 0.13 0.01 0.00 0.00 0.00 96.56 0.39 24 A E E 8.53 24.16 14.07 37.97 122.95 -164.56 -100.49 146.95 30.31 69.56 0.13 28.98 1.19 0.16 0.04 0.08 0.00 67.79 1.77 25 S C C 47.34 7.86 20.65 28.93 114.82 -142.07 -87.25 162.89 79.60 19.64 0.77 55.64 20.26 3.28 0.12 0.77 0.00 18.56 1.36 26 Q C S 119.05 4.76 18.52 23.76 100.98 -41.00 -79.28 -23.48 91.82 4.04 4.14 12.29 51.49 28.70 0.52 3.21 0.00 2.99 0.81 27 N C C 98.52 5.08 19.83 25.45 110.71 36.45 -93.50 110.93 91.65 4.15 4.20 33.42 30.41 27.95 0.51 3.97 0.00 2.81 0.92 28 I C C 37.89 20.16 14.64 33.58 113.00 -131.74 -91.06 128.49 82.54 10.44 7.02 53.68 18.64 9.97 1.47 5.96 0.00 6.65 3.62 29 S C C 34.27 13.55 19.87 33.34 121.88 -156.70 -101.86 150.85 82.31 9.42 8.27 63.23 10.64 7.81 1.08 7.87 0.00 7.84 1.52 30 S C S 54.95 10.61 22.12 32.55 98.35 -133.75 -88.66 -14.04 82.68 11.82 5.50 18.27 51.60 12.89 0.39 4.83 0.00 11.15 0.86 31 Y E E 69.25 13.00 23.23 36.24 122.41 45.39 -121.74 137.30 36.81 58.93 4.26 22.26 8.74 7.19 0.45 3.82 0.00 56.75 0.78 32 L E E 4.54 25.83 18.23 44.36 127.45 -170.44 -119.89 139.30 10.06 89.90 0.05 8.89 0.97 0.08 0.01 0.03 0.00 89.77 0.25 33 N E E 31.90 14.25 27.85 42.31 127.64 -168.18 -121.19 145.59 1.44 98.56 0.00 1.27 0.07 0.01 0.00 0.00 0.00 98.63 0.02 34 W E E 9.99 24.48 21.07 45.56 125.12 -155.16 -114.80 140.00 0.87 99.13 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.16 0.01 35 Y E E 30.20 15.22 23.64 39.24 132.93 -174.72 -132.73 152.04 0.78 99.22 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.25 0.03 36 Q E E 45.25 14.43 20.48 35.20 121.97 -142.69 -110.66 136.10 3.01 96.98 0.01 2.53 0.26 0.02 0.00 0.00 0.00 97.09 0.10 37 Q E E 55.26 13.32 15.26 29.24 121.39 -159.05 -111.41 137.76 29.20 70.75 0.05 26.35 1.87 0.12 0.01 0.03 0.00 70.67 0.94 38 E C C 97.77 5.50 15.28 22.08 118.64 -133.91 -89.64 146.42 94.02 5.88 0.10 91.65 2.31 0.38 0.02 0.07 0.00 4.47 1.09 39 A C T 83.49 3.82 10.92 16.70 108.81 -86.25 -59.68 132.84 99.40 0.20 0.40 0.53 4.44 94.47 0.02 0.37 0.00 0.12 0.05 40 G C T 68.39 0.37 12.78 10.92 96.51 17.37 83.18 -2.73 99.53 0.10 0.38 0.61 4.34 94.57 0.01 0.39 0.00 0.07 0.02 41 K C S 115.65 3.61 11.01 16.67 128.50 90.78 -114.14 160.29 92.80 6.83 0.37 30.21 61.47 1.39 0.09 0.28 0.00 2.55 4.00 42 A C C 73.59 2.91 15.81 19.42 116.01 -93.05 -71.22 147.58 97.49 2.48 0.03 88.05 9.51 0.15 0.01 0.02 0.00 1.91 0.35 43 P C C 44.48 17.47 10.75 27.51 115.10 -103.42 -66.31 145.48 92.34 7.63 0.03 90.53 1.84 0.13 0.00 0.02 0.00 7.18 0.30 44 K E E 105.50 6.37 20.99 28.26 123.32 -150.12 -115.28 137.67 10.91 89.02 0.07 9.26 1.58 0.12 0.02 0.04 0.00 88.35 0.63 45 L E E 63.74 15.85 17.07 32.52 110.78 -116.62 -75.11 126.20 1.00 98.99 0.01 0.90 0.05 0.00 0.00 0.00 0.00 99.02 0.03 46 L E E 30.03 16.49 20.79 37.38 101.34 175.47 -95.78 -34.74 2.14 97.84 0.02 1.55 0.47 0.02 0.00 0.00 0.00 97.94 0.01 47 I E E 14.25 20.71 20.98 41.51 136.94 4.35 -149.24 143.19 0.48 99.52 0.01 0.39 0.03 0.00 0.00 0.00 0.00 99.56 0.01 48 Y E E 66.04 16.73 23.27 38.88 127.62 -170.40 -129.54 136.05 2.88 97.05 0.07 2.51 0.18 0.04 0.03 0.02 0.00 97.11 0.11 49 A E E 15.21 19.13 20.69 39.28 119.35 -165.48 -110.87 132.49 26.33 69.51 4.15 21.35 4.09 1.47 2.09 1.72 0.00 68.36 0.92 50 A C C 29.55 15.20 19.51 34.49 118.44 -163.40 -109.36 143.11 46.14 21.95 31.92 29.71 10.04 7.96 11.53 19.09 0.07 19.92 1.68 51 S C G 59.68 9.05 19.52 28.65 103.60 -141.35 -87.00 -13.99 50.62 8.82 40.56 23.00 13.65 15.82 15.19 24.06 0.17 6.25 1.86 52 S C C 57.96 8.19 18.60 27.21 108.63 54.05 -98.23 68.19 50.95 7.62 41.43 25.66 11.77 15.09 16.35 24.07 0.13 4.85 2.10 53 L C C 58.18 15.80 12.81 27.81 106.53 98.88 -86.01 65.90 58.17 9.19 32.64 34.52 12.73 11.30 18.27 14.38 0.11 5.62 3.08 54 Q C C 109.61 6.14 15.33 22.66 111.30 121.23 -94.27 110.73 64.26 11.66 24.08 35.91 13.17 15.90 14.00 9.55 0.14 7.03 4.31 55 S C T 75.08 5.30 14.48 21.07 108.50 -90.08 -87.27 109.20 82.92 4.11 12.96 19.28 18.95 45.23 6.55 5.84 0.03 2.46 1.66 56 G C T 53.93 3.68 15.94 20.63 100.45 -31.70 84.15 1.26 94.65 1.95 3.40 19.81 29.01 46.13 0.76 2.44 0.00 1.20 0.65 57 V C C 49.78 13.26 11.69 25.67 117.95 107.40 -101.40 133.54 87.09 11.95 0.96 49.69 36.01 2.16 0.39 0.58 0.00 5.04 6.12 58 P C C 67.29 7.83 17.17 26.01 109.73 -108.36 -66.48 146.93 87.36 7.30 5.34 60.19 14.51 12.27 1.23 4.60 0.00 5.31 1.88 59 S C C 57.70 12.29 15.92 27.91 102.06 -119.77 -80.47 9.01 83.96 8.28 7.76 48.07 19.17 16.97 1.22 7.00 0.01 6.17 1.40 60 R C C 108.91 9.65 20.28 30.02 108.77 84.87 -100.80 54.05 69.73 23.14 7.13 40.36 21.26 8.85 1.31 5.53 0.01 21.11 1.57 61 F E E 30.16 22.33 13.64 35.15 123.25 113.68 -111.19 137.96 27.41 71.48 1.12 23.09 4.04 1.00 0.55 0.64 0.00 68.89 1.79 62 S E E 54.52 6.88 23.76 31.78 134.29 -175.80 -137.23 155.92 10.54 89.20 0.25 9.30 1.09 0.24 0.12 0.12 0.00 88.24 0.90 63 G E E 23.25 18.07 15.83 32.68 141.25 165.14 -159.57 167.97 10.50 89.37 0.13 8.93 1.29 0.24 0.04 0.07 0.00 88.79 0.63 64 S E E 63.60 5.46 21.72 28.74 135.12 -168.16 -145.51 156.78 17.28 82.58 0.14 14.85 2.00 0.36 0.04 0.09 0.00 82.02 0.64 65 G E E 30.03 11.77 15.47 27.74 139.09 132.28 110.77 164.82 35.48 64.30 0.22 25.06 9.89 1.65 0.03 0.23 0.00 61.90 1.23 66 S C C 76.85 3.36 20.59 24.54 115.58 -111.57 -117.83 95.29 60.13 39.21 0.67 37.98 18.14 5.46 0.11 0.72 0.00 34.57 3.02 67 G C S 33.83 10.08 18.84 28.89 109.48 -49.25 67.35 -131.95 97.68 1.54 0.78 3.32 55.50 39.04 0.03 0.78 0.00 1.15 0.19 68 T C S 56.38 14.10 16.83 30.80 97.78 -11.51 -98.75 -2.83 97.62 1.75 0.63 3.14 56.02 38.66 0.02 0.60 0.00 1.38 0.17 69 D E E 59.77 9.00 22.32 32.42 120.27 85.00 -107.83 131.01 39.22 60.52 0.27 25.72 12.55 1.95 0.04 0.32 0.00 56.81 2.62 70 F E E 8.40 24.58 16.05 41.00 128.61 -174.02 -127.01 142.26 15.66 84.34 0.01 14.65 0.55 0.03 0.00 0.01 0.00 84.38 0.38 71 T E E 36.23 10.44 27.24 38.69 123.50 -162.55 -119.53 135.62 3.41 96.59 0.00 3.07 0.12 0.00 0.00 0.00 0.00 96.72 0.08 72 L E E 3.19 26.05 18.95 45.89 119.44 -161.66 -112.27 128.74 0.45 99.55 0.00 0.50 0.00 0.00 0.00 0.00 0.00 99.49 0.00 73 T E E 40.12 10.16 27.20 38.15 120.03 -164.31 -114.67 128.71 0.16 99.84 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 74 I E E 8.05 23.92 16.24 40.69 117.11 -165.82 -112.91 124.39 2.46 97.54 0.00 2.54 0.03 0.00 0.00 0.00 0.00 97.01 0.42 75 S C C 49.64 6.95 22.81 29.96 118.83 -164.13 -102.90 161.36 93.82 6.12 0.06 48.76 39.89 4.03 0.00 0.11 0.00 6.99 0.22 76 S C S 67.10 4.43 24.05 28.41 100.86 9.91 63.10 72.05 99.19 0.79 0.03 9.78 85.33 4.11 0.00 0.04 0.00 0.66 0.07 77 L C C 20.53 23.59 10.57 33.57 113.21 -142.55 -77.24 129.82 99.42 0.57 0.01 97.78 1.70 0.03 0.00 0.00 0.00 0.20 0.28 78 Q C C 81.16 4.54 23.78 28.20 130.66 -174.78 -125.43 155.74 99.88 0.10 0.01 99.44 0.46 0.00 0.00 0.00 0.00 0.02 0.07 79 P H G 71.56 12.34 15.11 27.76 91.05 -106.62 -58.29 -32.27 3.27 0.02 96.72 0.17 0.19 2.04 0.23 97.36 0.00 0.01 0.00 80 E H G 126.04 3.67 21.21 25.59 89.88 63.01 -70.04 -16.20 2.69 0.02 97.29 0.09 0.14 1.80 0.15 97.79 0.00 0.02 0.00 81 D H G 14.42 20.50 16.01 36.92 93.54 61.77 -86.55 -4.75 3.48 0.04 96.48 0.42 0.33 1.53 0.22 97.46 0.00 0.03 0.00 82 F C C 52.25 17.01 19.96 36.86 116.64 106.13 -77.58 135.87 92.51 7.18 0.32 88.49 4.11 0.14 0.03 0.30 0.00 6.64 0.30 83 A E E 14.46 16.57 22.75 39.09 143.90 149.64 -160.75 175.11 7.12 92.87 0.01 6.67 0.38 0.02 0.00 0.01 0.00 92.43 0.49 84 T E E 36.73 13.26 25.35 38.91 120.06 -89.84 -103.88 135.81 0.92 99.08 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.10 0.03 85 Y E E 7.85 24.98 19.78 44.88 124.46 -165.30 -116.23 139.01 0.54 99.46 0.00 0.46 0.04 0.00 0.00 0.00 0.00 99.48 0.02 86 Y E E 34.19 15.78 27.01 42.75 130.36 -169.86 -126.49 146.91 1.88 98.11 0.02 1.58 0.15 0.01 0.00 0.01 0.00 98.17 0.07 87 C E E 3.60 24.90 21.04 46.15 124.13 -159.75 -117.20 137.01 8.19 91.61 0.19 6.95 0.80 0.17 0.07 0.10 0.00 91.67 0.25 88 Q E E 39.65 13.92 25.78 39.70 125.22 -169.31 -120.31 138.74 9.30 90.33 0.37 8.21 0.80 0.21 0.14 0.17 0.00 89.99 0.49 89 Q E E 31.61 18.82 18.32 36.60 121.89 -158.32 -109.41 137.36 18.84 80.61 0.55 15.45 3.03 0.77 0.18 0.33 0.00 79.49 0.76 90 S E E 42.63 10.11 18.51 29.41 121.87 -164.20 -116.29 139.75 36.75 62.68 0.57 28.36 7.22 1.71 0.14 0.43 0.00 60.69 1.45 91 Y C C 107.05 9.95 12.96 23.78 110.15 -171.94 -107.98 82.34 66.72 32.42 0.87 37.85 22.10 7.55 0.14 0.80 0.00 29.52 2.04 92 S C S 83.61 2.42 14.49 17.50 108.06 -28.78 -92.79 -14.30 94.10 5.07 0.84 21.25 52.84 20.11 0.09 0.85 0.00 4.20 0.67 93 T C S 94.56 2.77 13.45 17.48 118.32 0.33 -107.32 133.35 95.47 3.69 0.84 22.13 57.45 15.92 0.09 0.86 0.00 2.95 0.60 94 P C C 77.20 6.50 14.46 22.25 114.25 -48.57 -71.69 147.55 82.88 16.34 0.78 50.76 23.94 7.54 0.10 0.80 0.00 15.94 0.91 95 R C C 94.77 13.04 14.53 27.84 117.41 -129.77 -92.33 135.50 54.52 45.12 0.36 47.55 4.15 1.14 0.06 0.29 0.00 45.90 0.90 96 T E E 52.11 11.79 19.06 31.29 125.10 -160.95 -117.46 140.62 17.08 82.74 0.18 14.95 1.51 0.30 0.08 0.11 0.00 79.28 3.77 97 F E E 55.10 17.55 16.66 33.68 116.38 -149.79 -100.38 131.45 21.85 77.89 0.26 17.81 3.32 0.79 0.10 0.19 0.00 73.99 3.80 98 G C C 21.82 12.54 18.87 31.40 122.67 -140.53 -81.14 -169.85 63.54 36.21 0.25 42.32 17.77 2.95 0.03 0.25 0.00 35.80 0.88 99 Q C C 117.78 5.15 22.47 27.98 107.97 -56.47 -78.36 96.90 74.09 25.68 0.24 56.38 14.23 2.09 0.03 0.24 0.00 26.41 0.62 100 G C C 16.26 18.72 15.84 33.31 127.67 -131.27 1.95 174.97 65.15 34.75 0.10 56.44 5.97 0.54 0.01 0.09 0.00 36.44 0.50 101 T E E 29.64 15.95 19.46 35.59 127.12 -108.09 -119.45 145.23 11.27 88.71 0.01 10.30 0.53 0.03 0.00 0.01 0.00 88.87 0.25 102 K E E 104.90 9.27 22.73 32.52 119.84 -140.00 -103.81 133.90 1.12 98.88 0.00 0.96 0.06 0.00 0.00 0.00 0.00 98.94 0.03 103 V E E 12.63 22.45 14.39 36.75 121.41 -165.55 -116.21 130.87 0.62 99.38 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.38 0.01 104 D E E 76.92 5.27 23.34 28.91 116.64 -153.60 -101.84 127.29 1.68 98.32 0.00 1.66 0.04 0.00 0.00 0.00 0.00 98.21 0.07 105 I E E 29.71 20.57 10.81 30.49 115.25 -157.82 -101.11 125.60 20.24 79.73 0.03 20.42 0.22 0.03 0.01 0.01 0.00 78.64 0.66 106 K C C 132.20 3.72 19.65 24.12 114.06 -157.15 -92.82 125.35 99.53 0.46 0.00 99.56 0.06 0.01 0.00 0.00 0.00 0.36 0.01