# 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 106.32 6.93 11.80 20.02 116.35 -163.70 -95.51 136.24 99.87 0.11 0.02 99.80 0.09 0.03 0.01 0.00 0.00 0.04 0.01 1 N C C 100.26 3.91 11.30 16.72 112.94 -142.13 -89.20 139.15 86.50 1.68 11.83 82.16 1.10 4.75 7.82 2.49 0.00 0.82 0.87 2 A C C 72.14 4.77 10.69 16.94 101.62 -112.28 -70.24 -27.04 63.78 1.60 34.62 35.15 11.69 17.46 20.11 13.90 0.01 0.78 0.89 3 A C C 66.04 6.02 10.56 18.04 97.45 60.99 -72.71 -21.30 56.32 1.20 42.48 24.79 11.96 19.95 23.80 18.20 0.03 0.55 0.71 4 N C H 107.01 3.74 12.77 17.88 98.22 63.70 -80.94 -5.44 53.14 1.46 45.40 25.93 11.39 15.89 26.14 19.15 0.03 0.69 0.79 5 A C C 60.77 6.66 11.96 20.04 102.00 75.14 -80.99 -0.74 58.06 2.64 39.29 33.42 11.64 13.06 24.17 15.11 0.03 1.32 1.24 6 V C C 68.88 10.65 10.97 22.27 112.23 78.61 -89.13 124.29 67.66 4.49 27.85 41.93 12.87 12.79 17.38 10.62 0.03 2.47 1.90 7 K C C 142.14 3.31 16.14 20.42 101.77 -157.69 -86.17 -1.27 78.43 4.97 16.59 49.20 16.62 12.81 8.90 7.54 0.01 2.80 2.12 8 Y C C 103.44 9.92 14.97 25.79 119.04 57.65 -112.91 126.37 94.44 4.19 1.37 56.84 36.15 2.05 0.60 0.65 0.00 2.84 0.87 9 P C C 48.16 12.75 16.36 29.74 111.22 -125.94 -70.97 145.17 90.88 8.64 0.48 72.36 16.15 1.76 0.11 0.35 0.00 8.78 0.49 10 E E E 74.25 10.93 21.93 32.80 125.03 -141.29 -114.23 141.66 28.15 71.61 0.24 23.91 3.88 0.42 0.05 0.16 0.00 70.86 0.72 11 L E E 7.75 23.87 16.68 40.88 124.64 -164.28 -119.42 136.99 2.74 97.25 0.01 2.61 0.11 0.01 0.00 0.00 0.00 97.19 0.09 12 K E E 63.83 10.50 26.14 37.04 119.05 -157.71 -112.41 127.03 0.74 99.26 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.01 13 I E E 4.56 25.42 18.32 44.47 120.11 -166.20 -114.39 128.41 0.29 99.71 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 14 K E E 64.02 10.52 27.39 38.41 117.30 -163.47 -111.77 124.99 0.27 99.73 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 15 L E E 3.45 26.13 18.31 45.25 122.98 -169.48 -116.59 135.26 0.71 99.29 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.25 0.01 16 E E E 67.46 10.36 27.37 38.11 125.26 -170.84 -122.30 138.43 3.10 96.90 0.01 2.94 0.11 0.01 0.00 0.00 0.00 96.83 0.11 17 S E E 8.33 21.80 15.72 37.54 138.31 160.03 -146.46 159.27 28.78 71.18 0.04 27.52 0.97 0.08 0.01 0.03 0.00 70.53 0.87 18 Y C S 123.37 7.73 21.63 30.00 96.06 -140.36 -85.96 -17.73 98.62 1.35 0.03 6.82 91.44 0.60 0.00 0.01 0.00 1.04 0.08 19 D C C 63.49 7.78 19.69 28.50 110.78 70.12 -108.08 106.93 99.03 0.83 0.13 75.65 23.01 0.49 0.07 0.05 0.00 0.33 0.41 20 S H H 47.55 14.08 14.45 28.81 93.53 -168.89 -63.20 -34.57 3.96 0.01 96.03 0.61 0.67 2.53 95.29 0.88 0.00 0.00 0.00 21 T H H 95.51 1.67 22.10 22.54 91.78 55.48 -64.22 -40.29 1.90 0.00 98.10 0.14 0.17 1.53 97.42 0.74 0.00 0.00 0.00 22 L H H 41.51 11.37 18.91 31.24 92.16 48.61 -65.84 -41.04 0.70 0.00 99.29 0.11 0.06 0.45 98.68 0.70 0.00 0.00 0.00 23 L H H 4.15 25.14 14.50 39.92 91.27 51.35 -63.16 -43.14 0.24 0.00 99.76 0.04 0.02 0.11 99.72 0.10 0.00 0.00 0.00 24 D H H 66.89 9.00 22.96 32.07 91.42 51.02 -63.38 -41.60 0.24 0.00 99.76 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 25 L H H 82.05 3.28 25.55 28.08 91.56 49.62 -64.34 -42.14 0.21 0.00 99.79 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 26 T H H 9.58 19.39 20.78 40.17 91.87 49.84 -64.23 -43.01 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 27 T H H 9.16 22.51 19.78 41.83 91.28 51.27 -62.83 -42.46 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 28 K H H 115.93 4.04 25.50 29.86 91.38 51.12 -63.51 -41.43 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 29 K H H 83.50 8.00 24.49 32.75 91.74 49.80 -64.69 -42.12 0.11 0.00 99.89 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 30 I H H 2.84 25.90 19.65 45.68 91.43 48.79 -63.91 -43.69 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 31 V H H 26.33 17.28 21.10 37.93 91.64 49.78 -62.77 -42.53 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 32 E H H 107.69 2.39 25.59 26.61 91.63 50.05 -64.04 -41.69 0.42 0.00 99.57 0.05 0.02 0.25 99.61 0.07 0.00 0.00 0.00 33 V H H 28.80 12.59 20.30 33.74 92.20 49.18 -65.03 -42.52 0.97 0.00 99.02 0.08 0.06 0.69 98.98 0.19 0.00 0.00 0.00 34 V H H 6.67 23.27 14.35 37.58 91.79 49.69 -65.49 -40.73 2.36 0.02 97.62 0.30 0.19 1.66 97.17 0.67 0.00 0.01 0.00 35 K H H 123.52 5.85 18.27 25.47 91.87 53.24 -63.89 -37.26 8.52 0.04 91.44 0.60 0.44 7.50 89.66 1.74 0.02 0.02 0.02 36 G H H 55.25 1.83 18.10 19.70 91.35 54.76 -71.08 -21.80 24.82 0.09 75.09 0.96 1.10 23.11 73.10 1.61 0.03 0.04 0.05 37 V C T 47.19 13.23 12.63 26.37 99.39 50.62 -98.91 7.07 81.14 0.26 18.60 1.78 7.44 70.14 18.26 2.01 0.02 0.10 0.25 38 D C T 123.84 1.33 20.10 20.37 94.99 -112.82 62.05 33.98 99.48 0.12 0.39 8.44 6.97 84.18 0.13 0.17 0.00 0.07 0.04 39 V C C 21.62 20.79 9.28 29.23 120.17 146.31 -96.60 140.83 97.52 2.43 0.05 94.02 3.32 0.23 0.01 0.03 0.00 2.23 0.16 40 K E E 137.27 2.43 23.68 25.53 110.38 -130.75 -87.60 121.38 34.71 65.21 0.08 33.18 1.14 0.14 0.02 0.05 0.00 64.52 0.95 41 I E E 32.77 22.81 10.35 31.92 119.35 -162.13 -106.37 129.61 9.09 90.88 0.03 9.15 0.21 0.02 0.02 0.01 0.00 87.20 3.38 42 K E E 125.05 3.98 20.73 25.25 115.85 -168.94 -109.31 131.75 24.23 75.73 0.04 19.89 3.91 0.20 0.01 0.03 0.00 75.08 0.89 43 G E E 30.68 5.67 20.74 27.10 132.31 -23.87 114.05 -176.13 49.96 50.03 0.02 19.74 29.69 0.39 0.00 0.02 0.00 49.88 0.28 44 P C C 57.48 15.43 15.98 30.78 116.01 -58.73 -70.26 147.05 58.49 41.49 0.02 52.71 4.16 0.13 0.00 0.02 0.00 42.36 0.63 45 L E E 34.91 16.09 17.30 33.89 120.15 -153.54 -113.12 127.95 23.31 76.67 0.02 21.43 1.21 0.03 0.01 0.01 0.00 68.18 9.13 46 P E E 73.07 7.60 23.15 31.10 114.98 -114.33 -69.22 144.77 38.61 61.37 0.01 37.60 1.13 0.04 0.00 0.01 0.00 58.01 3.21 47 L C C 32.52 21.50 13.68 34.43 116.80 -116.92 -80.56 139.87 92.43 7.56 0.01 90.20 2.84 0.04 0.00 0.01 0.00 6.37 0.55 48 P C C 37.99 12.58 17.25 30.79 114.23 -105.29 -65.73 147.21 92.57 7.38 0.06 90.82 2.05 0.17 0.01 0.04 0.00 6.23 0.68 49 T C S 86.77 6.87 16.91 25.02 98.16 -153.74 -88.22 -18.63 81.01 18.89 0.10 27.36 53.18 0.87 0.01 0.10 0.00 17.91 0.57 50 K E E 107.62 4.58 19.25 24.77 126.51 48.53 -119.50 143.04 18.54 81.36 0.10 13.24 5.33 0.43 0.01 0.09 0.00 80.59 0.30 51 K E E 90.81 15.03 13.31 27.89 127.25 -163.50 -129.24 140.12 4.34 95.64 0.03 3.90 0.26 0.03 0.00 0.01 0.00 95.73 0.07 52 E E E 69.92 9.09 18.31 28.63 126.85 -169.92 -126.21 139.79 0.50 99.50 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.54 0.01 53 V E E 60.26 10.94 17.37 29.40 117.27 -143.65 -103.41 127.20 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 54 I E E 28.66 14.74 15.93 31.95 123.28 -169.93 -117.44 135.49 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 55 T E E 46.60 9.85 19.50 30.59 118.79 -150.34 -107.07 131.64 1.41 98.58 0.01 1.38 0.03 0.00 0.00 0.00 0.00 98.53 0.04 56 I E E 30.12 15.25 15.86 32.14 118.45 -159.01 -109.72 127.51 8.20 91.77 0.04 7.51 0.50 0.05 0.01 0.02 0.00 91.59 0.32 57 I E E 60.87 9.60 16.37 27.52 114.46 -141.18 -92.23 129.22 33.86 65.97 0.17 28.07 5.14 0.52 0.04 0.12 0.00 65.15 0.96 58 R C C 112.77 8.38 14.81 24.29 107.98 -164.21 -91.87 61.36 68.38 31.30 0.32 49.94 16.87 1.60 0.07 0.28 0.00 29.34 1.90 59 S C C 42.86 6.61 12.87 21.31 121.98 -58.49 -116.46 140.21 85.54 13.75 0.71 63.11 19.24 3.25 0.21 0.60 0.00 10.40 3.18 60 P C T 87.97 5.61 11.06 18.41 94.99 -127.45 -65.26 -22.31 93.08 0.74 6.17 7.81 24.23 61.43 1.06 4.70 0.00 0.42 0.34 61 H C T 145.32 2.02 11.10 13.73 99.85 55.55 -85.61 -8.49 91.96 1.06 6.97 8.14 23.40 60.89 1.41 5.03 0.00 0.59 0.52 62 V C S 97.49 3.51 9.85 14.75 106.88 50.29 -97.05 1.56 82.44 8.47 9.09 23.79 34.02 25.80 2.25 6.12 0.04 4.72 3.26 63 D C C 86.47 4.76 9.90 16.27 109.08 25.33 -101.15 98.79 84.96 9.19 5.85 63.08 11.76 9.76 2.27 3.71 0.00 7.06 2.36 64 K C T 138.84 4.03 10.86 16.70 97.88 -164.07 -71.51 -21.99 57.28 8.78 33.93 19.45 12.47 28.03 5.77 26.26 0.08 6.37 1.56 65 A C T 78.98 2.57 13.49 16.89 98.17 63.37 -77.35 -15.84 55.43 10.26 34.32 16.96 11.73 29.37 5.29 27.12 0.07 8.15 1.31 66 S C C 45.77 8.93 11.34 21.68 102.48 62.48 -85.32 6.22 51.32 14.43 34.25 29.56 10.77 13.63 4.88 27.39 0.02 12.42 1.32 67 R C C 105.30 10.60 12.27 23.48 112.81 102.82 -88.82 128.64 54.81 32.86 12.33 38.73 10.65 6.49 3.59 8.41 0.03 29.77 2.33 68 E E E 102.02 7.06 14.98 23.23 116.32 163.60 -98.77 132.39 44.10 51.00 4.89 34.03 7.59 2.49 1.28 3.26 0.00 50.05 1.29 69 Q E E 97.58 7.73 15.19 24.00 118.40 -146.25 -102.83 134.25 27.25 70.84 1.91 18.84 6.96 1.66 0.49 1.25 0.00 70.29 0.51 70 F E E 68.33 14.20 12.21 26.57 127.11 -169.29 -123.15 146.52 9.88 89.95 0.17 8.66 0.80 0.13 0.05 0.07 0.00 90.12 0.17 71 E E E 93.90 6.91 17.73 25.80 125.18 -160.66 -121.94 138.93 1.11 98.85 0.03 0.98 0.06 0.01 0.01 0.01 0.00 98.89 0.04 72 K E E 86.18 13.36 14.57 28.09 124.22 -159.51 -117.16 137.70 1.00 98.98 0.01 0.89 0.04 0.00 0.00 0.00 0.00 99.04 0.03 73 N E E 57.23 10.23 16.92 28.37 123.61 -165.74 -116.38 137.09 2.11 97.87 0.02 1.90 0.09 0.01 0.00 0.01 0.00 97.93 0.05 74 R E E 105.48 10.80 17.35 28.80 121.61 -158.61 -113.43 133.58 6.27 93.69 0.05 5.18 0.73 0.09 0.01 0.03 0.00 93.83 0.13 75 H E E 43.81 14.37 16.68 31.77 125.93 -172.30 -123.94 140.08 8.59 91.36 0.05 7.15 1.12 0.14 0.01 0.03 0.00 91.34 0.20 76 K E E 90.02 10.89 20.61 31.66 122.63 -157.14 -112.15 138.11 10.26 89.73 0.01 9.30 0.58 0.03 0.00 0.01 0.00 89.94 0.14 77 R E E 36.93 18.71 17.91 36.29 126.87 -163.18 -124.44 138.78 5.09 94.90 0.00 4.75 0.20 0.01 0.00 0.00 0.00 94.97 0.07 78 L E E 39.06 11.96 23.67 36.44 118.93 -151.11 -109.71 129.79 0.79 99.21 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.01 79 M E E 8.31 23.56 18.73 42.67 119.84 -164.40 -113.51 128.89 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 80 I E E 46.01 10.38 26.01 37.28 116.14 -160.62 -108.11 123.61 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 81 L E E 10.31 22.71 16.72 39.96 114.28 -157.30 -101.55 122.01 2.76 97.21 0.04 2.62 0.07 0.01 0.01 0.01 0.00 97.17 0.10 82 V E E 53.48 9.33 20.88 30.90 122.59 -172.53 -110.51 145.51 27.93 71.82 0.25 11.80 14.42 1.75 0.04 0.21 0.00 71.41 0.36 83 D C S 102.37 3.22 22.59 25.90 95.51 7.27 57.97 49.87 81.23 18.65 0.12 14.98 61.88 3.05 0.01 0.11 0.00 19.69 0.28 84 V C C 22.29 22.88 9.30 30.75 117.59 -166.93 -82.85 140.17 87.66 11.89 0.45 84.37 3.36 0.40 0.18 0.23 0.00 10.04 1.41 85 N C C 75.77 3.98 20.79 24.53 123.65 -139.42 -88.20 166.13 98.47 0.95 0.58 97.07 1.41 0.27 0.41 0.07 0.00 0.41 0.35 86 Q H H 132.50 3.61 15.25 20.59 91.69 -98.75 -59.27 -36.56 6.64 0.01 93.35 0.42 0.77 5.40 92.26 1.13 0.01 0.00 0.01 87 G H H 43.10 2.37 18.91 20.79 92.07 53.27 -64.61 -39.76 5.66 0.01 94.33 0.33 0.44 4.88 93.01 1.32 0.01 0.00 0.00 88 A H H 12.61 17.22 15.10 32.81 92.31 50.43 -65.52 -42.06 1.85 0.01 98.15 0.26 0.17 1.27 97.29 1.00 0.00 0.00 0.00 89 I H H 22.65 18.33 15.87 34.26 91.63 51.36 -62.90 -43.10 0.29 0.00 99.71 0.05 0.02 0.17 99.48 0.28 0.00 0.00 0.00 90 D H H 81.21 2.61 22.41 24.09 91.41 50.45 -63.55 -40.65 0.37 0.00 99.63 0.03 0.02 0.27 99.18 0.49 0.00 0.00 0.00 91 S H H 36.56 8.10 18.97 28.35 91.80 51.58 -64.74 -40.62 0.87 0.00 99.13 0.05 0.03 0.72 98.14 1.06 0.00 0.00 0.00 92 L H H 13.16 23.01 13.98 36.86 92.00 52.37 -66.13 -37.02 2.36 0.01 97.63 0.10 0.10 2.11 95.37 2.31 0.00 0.00 0.00 93 K H H 98.96 10.96 17.30 28.52 91.30 60.03 -67.87 -22.81 33.80 0.07 66.13 0.69 0.89 32.83 62.49 2.98 0.04 0.03 0.05 94 R C T 170.61 1.57 19.79 20.46 94.98 55.66 -86.74 -7.55 70.19 0.16 29.65 2.13 2.06 65.03 27.66 2.94 0.01 0.07 0.10 95 I C C 39.94 17.89 9.80 27.25 116.09 105.06 -78.39 137.59 96.44 2.26 1.30 65.32 29.22 2.06 0.96 0.36 0.00 0.97 1.12 96 K C C 154.36 1.82 21.07 22.46 110.22 -130.84 -88.44 117.08 93.89 5.90 0.21 92.19 1.71 0.48 0.11 0.08 0.00 3.31 2.12 97 I C C 36.30 21.15 10.43 30.32 118.96 -170.56 -107.46 131.62 94.43 5.55 0.02 90.11 4.83 0.04 0.01 0.01 0.00 2.47 2.51 98 P C C 50.71 7.91 17.08 26.51 116.20 -109.47 -66.07 153.34 98.50 1.43 0.07 97.94 0.73 0.16 0.02 0.03 0.00 0.65 0.47 99 V C T 106.41 4.55 16.41 22.48 111.05 -87.33 -62.41 138.26 98.82 0.70 0.48 0.81 5.18 92.97 0.04 0.37 0.00 0.45 0.18 100 G C T 43.69 4.74 17.97 23.78 96.14 25.01 86.89 -4.82 98.80 0.90 0.30 1.34 4.51 93.01 0.01 0.28 0.00 0.78 0.06 101 V C C 24.17 19.14 11.05 30.21 119.34 117.64 -98.76 134.79 73.24 26.66 0.10 67.24 4.63 0.27 0.02 0.10 0.00 26.84 0.91 102 T E E 72.79 5.03 22.90 28.32 118.89 -155.73 -110.14 130.73 21.07 78.89 0.05 20.81 0.44 0.06 0.01 0.02 0.00 78.19 0.47 103 L E E 30.61 22.17 12.41 33.92 123.89 -168.06 -119.89 134.99 8.34 91.65 0.01 8.37 0.11 0.01 0.00 0.00 0.00 91.38 0.12 104 R E E 125.55 4.19 23.76 28.56 123.55 -168.60 -121.81 136.15 3.60 96.39 0.01 3.57 0.05 0.01 0.00 0.00 0.00 96.28 0.09 105 F E E 54.75 19.69 11.55 30.35 122.14 -156.46 -112.78 133.25 6.60 93.39 0.01 6.48 0.10 0.01 0.00 0.00 0.00 93.18 0.22 106 S E E 57.45 5.08 17.18 23.42 126.97 -172.78 -121.44 150.89 19.81 80.17 0.02 19.91 0.22 0.03 0.01 0.01 0.00 79.24 0.58 107 K C C 141.15 4.76 14.74 21.38 111.81 -106.70 -76.56 134.38 97.08 2.91 0.00 97.24 0.08 0.01 0.00 0.00 0.00 2.63 0.03