# 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 K C C 129.57 5.91 15.26 22.74 115.51 -160.94 -99.57 129.85 99.92 0.07 0.01 99.86 0.07 0.02 0.00 0.00 0.00 0.03 0.01 1 K C C 123.22 6.18 13.26 21.12 117.16 -159.77 -101.43 134.72 95.30 2.83 1.86 90.24 1.04 4.59 0.57 0.81 0.00 1.93 0.82 2 N C C 109.50 4.13 16.48 21.61 102.26 -125.66 -70.69 43.72 91.46 6.14 2.40 65.23 15.97 10.09 0.53 2.13 0.00 4.50 1.56 3 I C C 30.75 20.06 9.70 28.48 116.21 126.78 -97.92 127.87 82.61 12.93 4.45 70.80 7.56 3.92 1.04 3.65 0.00 10.42 2.61 4 E C C 122.98 3.95 21.33 25.80 98.82 -166.07 -84.94 -27.40 81.48 14.02 4.49 48.78 23.07 10.24 0.81 3.82 0.01 11.73 1.55 5 S C C 45.58 9.03 21.98 31.28 137.93 8.21 -146.96 154.56 68.31 27.93 3.76 33.95 23.78 11.99 0.46 3.18 0.01 25.34 1.29 6 G E E 9.05 18.08 20.29 37.68 141.54 141.30 148.01 -177.00 46.16 53.34 0.50 35.59 8.67 1.33 0.07 0.44 0.00 53.29 0.61 7 V E E 33.18 13.81 26.29 40.59 126.95 -105.75 -125.76 140.34 4.78 95.19 0.03 4.48 0.27 0.03 0.01 0.01 0.00 94.96 0.24 8 A E E 2.21 26.32 21.00 47.66 123.54 -164.11 -116.52 135.13 1.20 98.79 0.00 1.13 0.05 0.00 0.00 0.00 0.00 98.79 0.03 9 H E E 38.76 14.31 28.57 43.21 119.13 -163.91 -114.59 127.48 0.60 99.40 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 10 I E E 5.09 25.75 20.77 46.79 120.14 -165.19 -115.04 127.13 0.80 99.20 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.21 0.02 11 H E E 60.40 11.26 27.34 38.90 124.39 -172.96 -121.66 134.79 2.72 97.28 0.01 2.39 0.14 0.01 0.00 0.00 0.00 97.36 0.10 12 S E E 25.27 20.75 16.84 36.17 128.72 -168.74 -122.97 143.12 22.60 77.36 0.04 18.98 2.63 0.19 0.01 0.03 0.00 77.87 0.28 13 T C C 53.64 8.07 21.31 29.65 128.58 -172.88 -124.71 166.70 68.10 31.70 0.20 54.94 10.91 0.97 0.03 0.18 0.00 31.99 0.98 14 F C S 127.96 7.09 18.11 25.91 97.76 -77.99 -55.19 -46.17 95.86 2.82 1.32 7.14 54.57 34.67 0.08 1.12 0.00 2.03 0.38 15 N C S 90.51 8.35 18.35 27.03 100.10 10.62 -101.84 0.48 97.70 1.14 1.16 5.30 51.84 40.70 0.05 1.11 0.00 0.82 0.19 16 N C E 42.60 12.48 20.09 32.94 136.18 43.47 -139.32 156.33 55.64 43.62 0.74 27.85 20.31 8.23 0.06 0.77 0.00 42.08 0.70 17 T E E 6.86 23.08 18.37 41.86 121.81 -146.14 -114.52 132.26 7.88 92.11 0.01 7.07 0.31 0.02 0.00 0.00 0.00 92.49 0.10 18 I E E 24.69 14.29 27.37 42.40 119.35 -161.81 -113.50 127.57 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 19 V E E 1.94 26.47 22.11 49.19 120.35 -165.46 -114.01 129.25 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 M E E 25.81 15.74 28.77 44.82 122.19 -166.88 -117.09 133.59 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 21 I E E 2.06 26.29 22.71 49.62 120.26 -163.12 -113.67 129.42 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 22 T E E 16.24 14.55 24.88 39.95 132.92 -177.86 -127.35 156.46 0.27 99.73 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.69 0.05 23 D C C 22.54 14.98 20.37 35.60 123.67 -120.62 -81.77 172.61 64.73 35.23 0.04 64.37 0.54 0.07 0.01 0.02 0.00 34.27 0.71 24 T C T 61.61 14.60 16.67 31.21 90.81 -92.96 -64.98 -19.89 99.25 0.20 0.55 0.32 3.22 95.81 0.01 0.48 0.00 0.13 0.03 25 H C T 133.09 2.57 19.64 22.11 93.10 56.44 -89.31 0.87 99.26 0.09 0.65 0.30 3.23 95.81 0.02 0.56 0.00 0.05 0.02 26 G C S 28.15 13.29 14.02 27.39 96.98 -104.09 86.60 6.43 99.17 0.46 0.37 25.99 71.88 1.38 0.04 0.30 0.00 0.21 0.19 27 N C C 88.09 3.82 20.84 25.42 116.22 142.74 -81.64 138.30 97.81 2.09 0.09 94.83 2.96 0.29 0.02 0.05 0.00 1.14 0.71 28 A E E 46.30 16.29 14.87 30.59 110.49 -114.80 -73.63 126.67 2.55 97.44 0.01 2.49 0.14 0.01 0.00 0.00 0.00 96.31 1.03 29 L E E 55.81 12.43 19.60 32.51 101.48 174.64 -98.47 -31.83 1.88 98.11 0.01 1.19 0.55 0.02 0.00 0.00 0.00 98.22 0.02 30 A E E 21.19 13.58 22.16 36.58 142.87 -1.32 -158.70 154.06 0.42 99.57 0.00 0.33 0.04 0.00 0.00 0.00 0.00 99.63 0.00 31 W E E 92.59 19.87 19.55 37.46 134.26 -169.07 -143.53 144.48 0.50 99.50 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 32 S E E 21.98 15.54 24.24 39.63 138.62 170.97 -145.37 154.36 2.05 97.94 0.00 1.84 0.09 0.00 0.00 0.00 0.00 98.01 0.05 33 S E E 33.38 15.96 24.04 39.00 126.60 -144.47 -112.58 148.19 12.95 86.96 0.09 11.36 1.36 0.15 0.02 0.06 0.00 86.50 0.54 34 A C C 9.69 23.41 17.91 40.95 96.35 -141.50 -78.40 -18.09 60.34 9.69 29.97 40.28 10.26 11.06 8.19 20.79 0.04 7.97 1.41 35 G H G 27.38 13.41 21.08 33.68 96.07 83.69 -55.43 -38.62 42.06 2.06 55.89 12.44 9.13 21.62 11.30 43.53 0.04 1.20 0.73 36 S H G 69.07 6.69 22.45 29.11 93.44 51.04 -77.01 -14.83 38.86 1.41 59.73 8.43 7.64 22.95 13.10 46.44 0.05 0.80 0.58 37 L C G 48.65 16.18 16.47 32.07 96.16 65.00 -84.04 -4.36 49.05 2.46 48.48 8.85 11.86 29.08 11.78 35.53 0.20 1.30 1.40 38 G C T 34.56 8.22 20.80 29.22 107.08 -101.68 94.72 11.91 81.19 4.03 14.78 28.28 18.42 35.37 4.58 9.26 0.03 1.81 2.25 39 F C C 58.41 16.67 12.32 28.40 112.74 128.77 -89.85 125.58 83.51 9.87 6.61 56.43 17.71 8.44 2.87 3.68 0.01 4.00 6.87 40 K C T 148.76 3.28 15.50 20.44 111.70 -121.79 -74.28 130.91 87.43 5.42 7.15 19.22 17.41 50.94 1.99 4.92 0.02 2.87 2.64 41 G C T 61.74 1.29 15.16 16.18 97.84 11.58 80.89 -1.50 90.85 1.67 7.48 12.04 23.19 55.56 1.34 6.07 0.00 0.84 0.95 42 S C C 56.16 8.92 10.36 20.24 118.16 110.66 -99.14 151.85 85.36 2.93 11.70 32.92 32.08 20.27 2.26 9.32 0.01 1.18 1.97 43 K C S 157.43 2.46 15.83 19.26 97.41 -131.80 -81.45 -11.14 82.85 3.36 13.79 22.83 36.37 24.33 2.41 10.55 0.01 1.61 1.90 44 K C C 116.33 5.56 18.33 24.91 119.48 76.04 -101.72 140.46 80.78 6.17 13.05 33.18 29.40 18.67 2.76 9.76 0.03 2.79 3.41 45 S C C 33.16 19.50 13.97 32.12 113.86 -130.08 -81.80 128.47 87.22 5.16 7.62 65.32 13.71 7.22 2.84 4.76 0.00 1.93 4.21 46 T C C 44.52 10.48 23.10 33.77 127.80 -171.11 -114.61 152.70 93.79 0.79 5.42 77.34 14.65 0.67 6.18 0.24 0.00 0.17 0.74 47 P H H 54.03 15.67 19.89 34.79 92.51 -111.07 -60.65 -34.77 9.03 0.04 90.93 1.35 1.27 5.96 90.76 0.61 0.01 0.02 0.02 48 F H H 99.43 6.51 26.90 34.04 91.64 54.17 -64.35 -40.62 3.29 0.01 96.69 0.45 0.31 2.22 96.62 0.37 0.00 0.01 0.01 49 A H H 5.72 20.71 22.62 43.26 91.35 50.94 -64.12 -42.76 0.40 0.00 99.60 0.11 0.03 0.17 99.54 0.15 0.00 0.00 0.00 50 A H H 1.91 26.37 22.55 48.78 91.33 50.75 -63.82 -42.33 0.10 0.00 99.90 0.02 0.00 0.05 99.88 0.05 0.00 0.00 0.00 51 Q H H 64.44 12.88 28.69 41.68 91.60 50.48 -64.01 -42.05 0.06 0.00 99.94 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 52 M H H 57.95 9.53 29.99 41.17 91.55 49.98 -64.09 -42.29 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 53 A H H 1.60 25.91 25.67 51.17 91.56 49.77 -64.01 -43.04 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 54 A H H 2.22 26.00 25.25 50.80 91.49 50.72 -63.21 -43.05 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 55 E H H 83.61 8.06 30.16 39.71 91.30 50.22 -63.74 -41.92 0.19 0.00 99.81 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 56 A H H 21.73 11.80 28.20 41.29 91.53 49.51 -64.20 -42.19 0.45 0.00 99.55 0.03 0.02 0.34 99.56 0.05 0.00 0.00 0.00 57 A H H 0.73 27.61 23.84 51.57 91.49 50.43 -64.22 -42.85 0.41 0.00 99.59 0.05 0.02 0.26 99.61 0.06 0.00 0.00 0.00 58 T H H 13.62 21.28 24.19 44.38 91.55 50.71 -63.02 -42.63 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.03 0.00 0.00 0.00 59 K H H 108.81 3.51 28.75 32.45 91.40 50.04 -63.73 -41.95 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 60 V H H 24.03 13.39 23.28 37.18 91.64 49.26 -64.24 -42.68 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 61 A H H 1.67 26.16 15.52 42.30 91.44 50.57 -63.54 -43.04 0.23 0.00 99.77 0.02 0.01 0.17 99.69 0.11 0.00 0.00 0.00 62 M H H 87.19 10.84 19.53 30.42 91.58 49.78 -63.74 -40.28 0.80 0.00 99.20 0.05 0.03 0.65 98.85 0.42 0.00 0.00 0.00 63 E H H 140.30 1.70 21.17 22.24 90.61 53.11 -65.83 -29.28 5.88 0.00 94.12 0.09 0.12 5.88 93.52 0.39 0.00 0.00 0.00 64 H C T 76.30 12.11 15.20 27.91 93.75 50.23 -88.27 0.46 79.01 0.02 20.98 0.29 0.83 77.49 20.80 0.57 0.00 0.00 0.01 65 G C T 46.61 3.43 22.61 26.11 98.19 -101.68 88.83 11.76 99.81 0.01 0.19 1.36 0.79 97.76 0.07 0.02 0.00 0.00 0.00 66 L C C 16.13 23.43 10.48 33.26 113.94 155.04 -76.61 131.12 95.34 4.58 0.08 95.47 0.43 0.08 0.02 0.03 0.00 3.62 0.36 67 K C C 126.05 4.63 23.43 29.03 101.22 176.35 -103.67 -17.21 91.22 8.74 0.04 70.37 19.79 0.44 0.00 0.05 0.00 9.12 0.23 68 T E E 44.92 10.45 24.47 35.70 132.71 37.85 -137.30 143.20 24.94 74.97 0.09 19.74 4.32 0.38 0.01 0.08 0.00 75.12 0.35 69 V E E 3.23 26.86 16.55 44.49 124.92 -166.99 -126.67 133.30 1.64 98.35 0.00 1.55 0.07 0.00 0.00 0.00 0.00 98.32 0.07 70 D E E 46.02 10.16 28.06 39.19 117.85 -157.08 -107.35 127.44 0.48 99.52 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.01 71 V E E 3.93 26.23 18.43 45.32 120.95 -165.57 -116.54 129.20 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 72 T E E 37.25 10.68 27.82 39.40 118.24 -165.18 -114.50 124.79 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 73 V E E 6.84 24.93 17.00 42.33 120.87 -168.40 -113.99 129.56 2.66 97.34 0.00 2.63 0.06 0.00 0.00 0.00 0.00 97.18 0.12 74 K E E 96.14 8.11 24.63 32.93 117.44 -169.78 -111.82 126.08 35.85 64.11 0.04 28.93 5.87 0.28 0.01 0.04 0.00 64.39 0.48 75 G C C 21.29 10.34 20.23 31.26 140.04 59.27 151.22 -177.53 86.26 13.65 0.09 45.60 39.54 1.36 0.01 0.09 0.00 12.72 0.67 76 P C C 80.13 7.33 19.20 27.00 115.32 -55.61 -74.61 147.38 95.89 3.67 0.44 54.15 37.98 4.09 0.10 0.37 0.00 2.55 0.76 77 G C S 33.06 6.31 18.84 26.21 134.29 61.78 126.75 -171.08 90.97 1.53 7.50 23.50 59.16 8.65 4.72 2.18 0.00 0.50 1.29 78 S C T 83.16 3.37 20.51 24.27 97.99 -44.13 -69.42 -12.28 74.13 0.42 25.45 4.10 16.13 53.94 18.73 6.42 0.06 0.17 0.44 79 G C T 15.56 17.00 16.66 33.13 95.73 44.50 -69.57 -4.19 71.27 0.29 28.44 12.46 8.10 49.92 24.54 4.63 0.01 0.11 0.24 80 R H H 53.25 20.39 17.00 36.15 92.96 98.65 -61.30 -42.53 5.34 0.03 94.64 2.33 0.85 2.10 93.24 1.45 0.00 0.01 0.01 81 E H H 111.16 5.17 24.95 30.89 91.63 50.79 -63.61 -41.24 1.21 0.00 98.79 0.29 0.12 0.63 98.46 0.49 0.00 0.00 0.00 82 A H H 35.13 7.39 24.66 32.84 91.68 50.19 -64.62 -41.72 0.52 0.00 99.48 0.10 0.04 0.27 99.25 0.33 0.00 0.00 0.00 83 A H H 2.73 25.02 19.80 44.76 91.94 50.47 -64.24 -43.10 0.55 0.00 99.44 0.12 0.04 0.28 99.40 0.16 0.00 0.00 0.00 84 I H H 19.86 20.89 22.31 42.10 91.71 49.82 -63.83 -42.59 0.36 0.00 99.64 0.06 0.02 0.19 99.69 0.04 0.00 0.00 0.00 85 R H H 131.99 2.99 27.04 29.76 91.50 50.80 -63.38 -42.26 0.15 0.00 99.85 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 86 S H H 21.96 12.47 21.52 34.78 91.72 50.19 -64.28 -42.22 0.18 0.00 99.82 0.01 0.01 0.11 99.80 0.06 0.00 0.00 0.00 87 L H H 3.57 26.00 15.22 41.62 91.72 50.15 -64.43 -42.26 0.34 0.00 99.66 0.03 0.01 0.26 99.54 0.16 0.00 0.00 0.00 88 Q H H 99.05 9.03 19.10 28.81 91.37 51.35 -62.90 -39.47 1.03 0.00 98.97 0.06 0.04 0.87 98.56 0.47 0.00 0.00 0.00 89 A H H 82.91 2.05 19.35 21.40 90.05 56.60 -65.83 -23.76 11.46 0.01 88.54 0.20 0.27 11.55 87.35 0.61 0.01 0.00 0.00 90 T C T 50.25 12.53 14.53 27.77 93.65 52.16 -89.85 1.22 83.66 0.03 16.30 0.38 1.44 81.18 16.23 0.73 0.00 0.01 0.03 91 G C T 51.38 2.40 21.77 23.86 97.27 -101.81 89.09 9.99 99.84 0.02 0.14 1.67 1.74 96.51 0.04 0.02 0.00 0.01 0.00 92 L C C 14.70 23.50 10.20 33.19 117.85 139.63 -90.88 136.93 94.19 5.79 0.01 92.96 1.09 0.06 0.00 0.01 0.00 5.73 0.15 93 E E E 114.76 3.53 25.39 28.96 111.96 -134.41 -91.91 123.08 29.48 70.48 0.04 28.85 0.65 0.06 0.01 0.02 0.00 69.71 0.69 94 V E E 22.83 23.71 11.86 34.94 113.23 -151.45 -90.45 122.56 3.94 96.05 0.01 4.16 0.06 0.00 0.00 0.00 0.00 95.55 0.23 95 T E E 70.87 5.61 22.52 28.72 100.23 175.93 -97.64 -29.69 5.32 94.67 0.01 3.75 1.12 0.04 0.00 0.00 0.00 95.06 0.03 96 A E E 37.05 8.64 23.73 33.28 141.20 0.65 -156.43 152.00 0.91 99.08 0.00 0.72 0.07 0.01 0.00 0.00 0.00 99.19 0.01 97 I E E 35.59 22.78 14.89 36.71 124.05 -164.04 -128.10 127.85 0.36 99.64 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 98 R E E 100.27 7.42 24.47 32.49 128.72 -177.12 -131.37 141.33 0.53 99.47 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.02 99 D E E 57.42 16.20 16.13 31.64 112.79 -129.72 -87.07 123.36 6.50 93.49 0.01 6.07 0.24 0.01 0.00 0.00 0.00 93.50 0.17 100 V C C 62.23 11.12 17.07 28.89 104.24 -177.36 -101.55 10.35 84.03 15.93 0.04 64.84 17.92 0.38 0.00 0.04 0.00 16.28 0.54 101 T C S 59.62 8.65 16.02 25.89 117.55 113.95 -93.85 135.03 92.11 7.85 0.04 45.47 47.05 0.49 0.01 0.04 0.00 6.17 0.77 102 P C C 85.06 6.54 16.71 24.40 111.90 -108.50 -69.86 143.12 95.41 4.53 0.06 75.09 20.01 0.58 0.01 0.06 0.00 3.44 0.82 103 V C C 58.20 12.48 12.00 25.17 117.98 -122.48 -102.15 131.39 93.45 6.41 0.14 75.97 17.33 0.42 0.05 0.09 0.00 3.34 2.80 104 P C C 74.17 6.10 15.02 22.58 113.62 -110.09 -66.21 146.77 91.94 5.90 2.16 80.51 6.70 4.35 0.42 1.97 0.00 3.83 2.22 105 H C C 109.83 8.88 11.23 21.12 114.59 -142.03 -100.18 129.51 83.57 7.29 9.14 41.81 20.62 20.94 1.29 8.13 0.01 3.30 3.90 106 N C T 121.23 3.00 14.45 18.31 99.58 2.75 44.85 36.39 85.33 3.15 11.52 23.24 24.98 36.73 1.17 10.79 0.00 1.57 1.51 107 G C C 47.73 4.88 12.95 19.19 106.59 -64.25 84.28 0.09 88.49 3.46 8.05 31.83 29.90 26.35 0.88 7.71 0.00 1.69 1.61 108 C C C 62.25 9.69 10.44 21.15 115.07 121.88 -89.52 134.92 90.03 7.12 2.85 58.43 23.50 7.55 0.65 2.42 0.00 3.19 4.26 109 R C C 143.13 4.47 13.52 19.76 119.27 -145.99 -101.51 137.88 95.56 4.21 0.23 71.10 24.24 0.53 0.09 0.13 0.00 1.71 2.21 110 P C C 80.12 6.05 12.13 19.93 115.92 -105.00 -65.88 150.05 98.97 0.65 0.38 94.22 4.11 0.74 0.11 0.21 0.00 0.34 0.26 111 P C C 86.70 6.16 10.32 18.23 113.31 -102.67 -66.33 148.57 95.81 1.14 3.05 82.75 6.85 6.18 0.73 2.30 0.00 0.58 0.60 112 K C C 149.57 2.59 10.19 14.72 113.98 -112.04 -82.99 137.56 91.77 3.62 4.61 69.92 13.86 7.55 1.14 3.78 0.00 2.01 1.75 113 R C C 169.91 2.85 8.59 13.63 115.25 -131.41 -90.80 135.18 89.03 5.92 5.04 71.24 12.44 5.14 1.31 3.95 0.00 4.17 1.75 114 R C C 163.83 2.71 7.99 12.84 115.59 -138.84 -92.72 135.38 86.14 10.19 3.67 74.93 7.21 3.84 1.18 2.41 0.00 7.74 2.68 115 R C C 179.03 1.84 8.28 11.94 112.87 -133.98 -89.80 128.05 86.55 11.87 1.58 82.04 2.70 2.21 0.66 0.72 0.00 7.11 4.56 116 V C C 104.27 4.47 9.64 15.71 109.45 -150.79 -93.70 104.74 99.79 0.19 0.02 99.50 0.26 0.10 0.01 0.00 0.00 0.11 0.03