# 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 127.50 4.32 15.49 20.82 108.38 -148.77 -84.99 110.30 99.53 0.25 0.22 99.46 0.12 0.09 0.17 0.01 0.00 0.11 0.05 1 L C C 76.87 9.62 10.05 20.40 101.74 103.71 -74.73 -27.43 52.62 0.75 46.63 46.92 0.86 4.66 45.56 1.38 0.00 0.34 0.28 2 N H H 99.76 2.83 12.35 16.21 97.73 61.16 -69.58 -38.16 39.70 0.48 59.81 28.80 3.42 6.35 59.63 1.43 0.00 0.21 0.17 3 D H H 96.23 2.12 14.26 16.51 94.92 51.30 -68.46 -36.52 14.33 0.19 85.48 9.54 2.00 3.25 83.68 1.37 0.00 0.08 0.06 4 T H H 52.96 7.98 12.63 22.10 93.35 53.70 -66.32 -39.30 5.46 0.10 94.44 3.40 0.79 1.56 93.33 0.85 0.00 0.05 0.02 5 E H H 90.33 5.85 14.94 22.10 92.56 51.81 -65.08 -40.21 2.99 0.06 96.95 1.80 0.39 0.95 96.30 0.52 0.00 0.03 0.01 6 I H H 85.62 2.42 17.41 19.59 92.04 50.65 -64.73 -41.75 1.73 0.03 98.25 0.97 0.22 0.58 97.95 0.26 0.00 0.01 0.00 7 E H H 86.18 4.81 18.03 23.61 91.95 50.35 -64.53 -41.17 1.16 0.01 98.83 0.55 0.13 0.44 98.72 0.15 0.00 0.00 0.00 8 L H H 40.64 12.26 15.13 28.44 92.03 50.74 -64.15 -41.32 0.85 0.01 99.14 0.32 0.08 0.36 99.14 0.10 0.00 0.00 0.00 9 K H H 109.36 3.25 19.67 22.96 91.67 51.30 -64.19 -40.93 0.72 0.00 99.27 0.23 0.06 0.33 99.31 0.08 0.00 0.00 0.00 10 H H H 106.37 2.42 20.37 21.85 91.81 49.72 -64.54 -41.51 0.67 0.00 99.33 0.18 0.05 0.32 99.39 0.06 0.00 0.00 0.00 11 F H H 48.15 12.65 16.22 29.83 91.94 49.86 -64.42 -41.55 0.46 0.00 99.53 0.13 0.03 0.21 99.59 0.04 0.00 0.00 0.00 12 K H H 94.52 9.09 18.20 27.83 91.60 51.85 -63.11 -41.17 0.44 0.00 99.56 0.13 0.03 0.20 99.61 0.04 0.00 0.00 0.00 13 Q H H 104.96 1.72 21.63 21.42 91.76 49.83 -64.47 -41.66 0.49 0.00 99.51 0.12 0.03 0.25 99.55 0.04 0.00 0.00 0.00 14 K H H 95.30 5.29 20.40 26.06 91.83 49.31 -64.63 -41.45 0.54 0.00 99.46 0.12 0.04 0.28 99.52 0.04 0.00 0.00 0.00 15 A H H 16.34 15.96 15.22 31.89 91.68 50.49 -64.04 -41.28 0.53 0.00 99.47 0.11 0.03 0.27 99.54 0.05 0.00 0.00 0.00 16 S H H 56.08 3.93 20.75 24.82 91.51 51.47 -63.89 -40.84 0.63 0.00 99.37 0.14 0.04 0.33 99.44 0.05 0.00 0.00 0.00 17 H H H 116.18 1.90 22.14 22.30 91.95 49.56 -64.94 -41.05 0.72 0.00 99.28 0.14 0.05 0.40 99.36 0.06 0.00 0.00 0.00 18 L H H 30.48 13.63 17.00 31.59 91.95 49.59 -64.79 -41.92 0.52 0.00 99.48 0.12 0.04 0.26 99.53 0.05 0.00 0.00 0.00 19 E H H 74.80 11.43 18.22 29.90 91.45 52.39 -62.40 -41.41 0.47 0.00 99.53 0.11 0.03 0.23 99.59 0.05 0.00 0.00 0.00 20 S H H 60.67 1.90 22.21 22.19 91.39 49.84 -63.77 -41.84 0.70 0.00 99.30 0.14 0.04 0.38 99.37 0.07 0.00 0.00 0.00 21 K H H 97.08 4.87 21.04 26.13 91.85 49.20 -64.93 -41.14 0.83 0.00 99.17 0.15 0.05 0.47 99.24 0.08 0.00 0.00 0.00 22 C H H 14.33 17.48 14.70 32.74 91.85 50.43 -64.18 -41.61 1.01 0.00 98.99 0.25 0.08 0.52 99.04 0.12 0.00 0.00 0.00 23 E H H 101.28 4.33 20.87 25.58 91.50 51.43 -63.58 -40.97 1.16 0.00 98.83 0.25 0.09 0.62 98.89 0.14 0.00 0.00 0.00 24 K H H 122.96 1.74 21.92 21.83 91.78 49.80 -64.40 -41.38 1.87 0.01 98.13 0.39 0.15 1.08 98.14 0.23 0.00 0.00 0.00 25 L H H 35.38 11.78 16.95 30.04 91.92 49.49 -65.10 -41.35 1.84 0.01 98.15 0.48 0.17 0.98 98.05 0.32 0.00 0.00 0.00 26 H H H 70.31 12.23 17.07 29.53 91.81 51.75 -63.54 -41.27 2.35 0.02 97.63 0.66 0.24 1.27 97.30 0.52 0.00 0.01 0.00 27 D H H 82.30 2.34 20.27 21.75 91.94 50.51 -64.84 -40.56 4.06 0.03 95.92 1.02 0.42 2.40 95.21 0.92 0.01 0.02 0.01 28 T H H 66.31 4.18 18.64 23.28 92.38 50.01 -66.52 -39.95 6.68 0.06 93.26 1.69 0.80 4.03 91.89 1.54 0.01 0.03 0.02 29 L H H 42.11 12.91 13.79 27.46 92.79 50.79 -66.66 -38.67 12.17 0.16 87.67 3.60 1.64 6.98 85.46 2.14 0.02 0.08 0.07 30 F H H 113.16 5.78 15.95 22.74 93.81 51.54 -69.97 -33.02 23.87 0.38 75.75 8.25 3.38 12.85 72.73 2.39 0.03 0.17 0.19 31 R H H 154.62 2.20 15.79 18.20 96.74 56.75 -73.35 -25.87 38.81 0.60 60.59 14.89 7.33 17.52 56.98 2.66 0.04 0.24 0.33 32 G C H 40.44 6.50 12.79 20.43 101.86 54.14 -71.58 -23.04 60.46 0.76 38.78 27.97 10.38 22.26 34.85 3.79 0.01 0.30 0.43 33 N C C 97.87 5.55 12.15 19.01 103.35 75.04 -84.74 14.66 69.71 1.01 29.28 33.25 12.69 24.54 22.16 6.28 0.01 0.41 0.65 34 N C C 98.78 5.28 10.98 17.86 102.77 107.83 -81.42 28.09 74.09 1.34 24.57 35.01 16.44 23.50 15.64 7.93 0.01 0.54 0.92 35 K C C 149.53 2.33 12.30 15.67 101.43 100.92 -84.64 -0.26 78.26 1.46 20.28 34.24 20.74 23.97 11.39 8.05 0.01 0.59 1.00 36 N C C 96.05 5.32 10.00 16.96 109.79 89.96 -89.50 106.60 83.40 1.82 14.78 42.78 20.40 20.62 7.52 6.69 0.00 0.77 1.22 37 K C C 144.70 3.13 11.34 16.15 103.97 -165.19 -87.20 21.77 85.11 1.81 13.07 40.51 22.11 23.08 6.49 5.87 0.00 0.76 1.17 38 G C C 45.46 4.73 11.72 17.82 110.77 55.73 -63.11 -49.66 86.00 1.45 12.55 39.52 24.87 22.12 6.38 5.53 0.00 0.59 0.97 39 S C C 73.17 4.02 12.41 17.70 103.69 5.55 -79.79 -13.69 74.07 1.53 24.40 38.66 20.28 15.70 16.23 7.50 0.01 0.61 1.01 40 S C C 67.69 4.78 12.68 18.76 100.91 61.69 -76.33 -18.16 67.60 1.32 31.08 36.24 16.44 15.58 23.53 6.87 0.01 0.53 0.80 41 D C C 75.98 7.42 12.32 20.85 99.54 69.91 -76.93 -16.32 56.42 0.72 42.87 39.93 8.03 8.31 38.30 4.74 0.00 0.30 0.38 42 E H H 113.97 3.36 14.80 19.08 94.67 75.78 -66.07 -37.91 17.02 0.17 82.81 10.46 3.22 4.12 79.50 2.56 0.00 0.07 0.06 43 A H H 60.05 2.99 16.31 19.65 92.85 52.60 -65.63 -38.51 8.90 0.11 90.99 4.61 1.37 3.17 88.68 2.08 0.00 0.06 0.03 44 L H H 50.12 10.04 14.05 25.40 92.77 51.30 -66.12 -39.52 5.88 0.10 94.01 3.42 0.79 1.92 92.10 1.68 0.00 0.06 0.03 45 V H H 61.27 7.94 15.63 24.88 92.42 52.45 -64.40 -41.11 2.44 0.04 97.53 1.44 0.33 0.73 96.84 0.63 0.00 0.02 0.01 46 E H H 112.37 2.05 19.46 20.61 92.23 50.13 -64.89 -41.01 1.28 0.02 98.71 0.60 0.15 0.49 98.35 0.40 0.00 0.01 0.00 47 E H H 86.66 5.68 18.40 24.82 92.21 49.61 -65.06 -41.05 1.10 0.01 98.89 0.39 0.11 0.51 98.64 0.34 0.00 0.01 0.00 48 L H H 39.71 14.11 15.49 30.15 92.02 50.57 -64.69 -40.63 1.09 0.01 98.90 0.31 0.10 0.56 98.68 0.35 0.00 0.00 0.00 49 A H H 48.45 6.12 18.43 25.64 91.84 51.84 -63.45 -41.02 1.53 0.00 98.46 0.36 0.12 0.85 98.24 0.42 0.00 0.00 0.00 50 N H H 88.10 2.89 20.46 22.98 91.99 50.34 -65.36 -39.41 2.94 0.01 97.05 0.50 0.21 1.91 96.57 0.79 0.00 0.01 0.00 51 F H H 55.65 13.34 17.14 30.88 92.60 50.42 -66.20 -39.66 2.80 0.02 97.18 0.53 0.26 1.79 95.84 1.56 0.00 0.01 0.01 52 R H H 80.79 15.16 17.39 31.91 91.99 54.71 -64.05 -37.73 3.44 0.03 96.53 0.72 0.34 2.19 93.89 2.83 0.00 0.02 0.01 53 T H H 78.42 5.45 21.55 27.44 92.16 54.00 -68.90 -31.12 8.13 0.05 91.81 0.98 0.71 6.17 86.85 5.22 0.02 0.03 0.02 54 L H H 68.09 10.04 21.18 31.36 94.29 53.87 -76.26 -23.45 19.93 0.13 79.94 2.13 2.12 15.56 75.43 4.57 0.07 0.06 0.08 55 V C H 13.98 21.43 17.88 39.12 98.26 54.86 -93.03 -5.92 49.47 1.77 48.76 11.31 8.12 30.96 42.64 4.83 0.31 0.84 1.00 56 Y E B 73.85 12.47 22.87 35.87 120.71 95.05 -93.92 139.07 30.12 68.52 1.36 18.37 4.26 0.38 1.07 0.12 0.01 6.01 69.78 57 C C C 6.81 22.01 14.65 37.60 110.90 -115.93 -70.91 131.12 95.46 4.43 0.11 95.61 0.69 0.12 0.06 0.02 0.00 1.60 1.90 58 S C T 51.18 8.10 22.09 31.42 92.76 -145.50 -70.77 -23.23 99.07 0.56 0.36 1.45 17.34 80.38 0.08 0.20 0.00 0.28 0.27 59 L C T 54.24 14.02 18.24 32.05 98.87 46.02 -83.86 -40.19 99.53 0.22 0.25 0.18 7.85 91.62 0.01 0.15 0.00 0.09 0.10 60 C C T 43.80 10.74 15.62 27.41 101.96 21.58 -106.90 -12.69 99.54 0.22 0.24 0.74 9.51 89.36 0.01 0.17 0.00 0.12 0.08 61 S C C 77.28 5.15 16.86 23.32 95.66 -127.18 72.04 9.54 98.20 1.41 0.39 54.66 37.29 5.98 0.11 0.28 0.00 0.47 1.22 62 K C S 110.79 4.07 18.41 23.62 127.88 106.40 -110.56 153.67 98.05 1.55 0.40 28.43 66.95 2.68 0.09 0.27 0.00 0.60 0.97 63 N C C 84.80 8.91 17.89 27.59 112.52 -99.22 -72.24 135.13 77.57 21.19 1.24 44.38 26.69 2.14 0.56 0.61 0.01 3.61 22.00 64 W C C 35.43 21.18 12.64 33.23 114.97 -150.97 -95.52 128.20 89.17 9.88 0.95 82.65 5.01 1.25 0.27 0.69 0.00 4.71 5.42 65 K C S 116.08 5.70 21.78 28.35 120.79 -156.09 -101.17 142.44 94.81 4.58 0.61 24.58 53.80 16.60 0.06 0.69 0.00 3.60 0.67 66 N C S 87.78 7.84 21.78 30.09 94.99 10.84 62.24 32.87 75.13 24.41 0.46 21.57 35.73 17.48 0.03 0.57 0.00 24.12 0.50 67 M E E 21.36 20.04 17.54 37.45 122.18 144.27 -98.70 142.87 9.40 90.56 0.04 8.66 0.52 0.04 0.01 0.03 0.00 90.41 0.33 68 A E E 18.97 15.49 24.50 39.93 127.41 -162.31 -123.75 142.42 0.67 99.32 0.01 0.64 0.03 0.00 0.00 0.00 0.00 98.78 0.55 69 I E E 12.80 21.74 18.44 40.71 109.03 -129.54 -88.45 115.96 9.46 90.52 0.01 9.67 0.16 0.01 0.00 0.01 0.00 89.43 0.72 70 K C T 96.13 10.46 21.02 32.00 95.29 -169.26 -71.91 -30.94 95.32 2.57 2.11 2.69 4.21 88.28 0.07 2.22 0.00 2.32 0.22 71 T C T 64.91 10.09 20.76 30.71 96.64 49.81 -76.65 -37.02 98.61 0.13 1.26 0.28 1.87 96.53 0.02 1.20 0.00 0.07 0.03 72 C C T 32.98 14.67 18.31 33.20 99.54 22.81 -102.31 -10.98 99.04 0.05 0.91 0.22 1.48 97.27 0.01 0.99 0.00 0.02 0.01 73 G C C 24.77 10.59 21.83 33.21 95.52 -117.69 82.96 9.11 99.23 0.53 0.24 65.56 12.53 21.12 0.04 0.23 0.00 0.36 0.15 74 H C C 28.30 17.99 20.75 38.92 117.76 146.30 -76.56 144.34 83.23 16.75 0.02 82.44 1.31 0.07 0.00 0.01 0.00 15.46 0.70 75 V E E 23.88 18.89 25.18 43.14 121.65 -149.79 -113.24 133.29 0.98 99.02 0.00 0.93 0.04 0.00 0.00 0.00 0.00 98.05 0.97 76 F E E 8.31 22.10 23.58 45.20 139.87 166.22 -145.42 162.52 2.19 97.81 0.00 2.11 0.08 0.00 0.00 0.00 0.00 97.42 0.39 77 C C C 11.63 17.22 21.54 39.42 117.37 -100.63 -71.63 151.27 53.44 46.54 0.02 54.49 0.41 0.02 0.01 0.01 0.00 44.56 0.50 78 E H H 83.85 11.93 20.36 32.46 92.01 -113.96 -58.45 -39.07 2.41 0.00 97.59 0.18 0.22 1.90 97.07 0.62 0.00 0.00 0.00 79 N H H 94.79 2.46 25.36 26.81 91.66 52.27 -64.35 -40.03 1.24 0.00 98.76 0.06 0.06 1.09 98.12 0.67 0.00 0.00 0.00 80 C H H 13.42 15.84 19.20 35.77 92.14 49.53 -65.65 -41.72 0.82 0.00 99.18 0.07 0.05 0.63 98.46 0.80 0.00 0.00 0.00 81 C H H 5.61 23.30 15.80 39.09 91.48 50.87 -63.23 -43.38 0.19 0.00 99.81 0.03 0.01 0.10 99.76 0.10 0.00 0.00 0.00 82 K H H 114.98 4.22 22.59 27.19 91.44 50.48 -63.24 -41.94 0.12 0.00 99.88 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 83 E H H 95.82 3.29 21.96 24.68 91.81 48.62 -64.69 -41.93 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 84 R H H 35.40 15.56 15.20 31.27 92.16 49.09 -65.26 -41.37 0.43 0.00 99.57 0.03 0.02 0.29 99.55 0.10 0.00 0.00 0.00 85 L H H 54.25 13.47 14.51 28.22 92.27 49.68 -65.14 -39.84 1.82 0.00 98.18 0.11 0.09 1.43 98.11 0.25 0.00 0.00 0.00 86 A H H 84.03 1.43 16.88 17.58 92.11 51.53 -67.91 -32.13 9.22 0.02 90.76 0.35 0.50 8.14 90.58 0.41 0.01 0.00 0.01 87 A C T 65.37 3.59 14.05 18.68 95.68 49.60 -86.76 -4.95 72.32 0.14 27.55 1.98 5.76 61.71 29.35 1.04 0.01 0.04 0.12 88 R C T 169.15 3.47 14.98 20.05 94.49 -121.33 60.13 32.66 91.28 0.29 8.43 13.17 8.28 69.49 7.23 1.52 0.00 0.14 0.17 89 M C C 64.64 11.03 13.20 25.39 113.44 149.51 -91.02 127.72 94.67 1.50 3.83 71.14 13.96 9.52 1.50 2.22 0.00 0.72 0.93 90 R C C 120.80 10.04 18.18 28.57 100.73 169.59 -100.71 1.66 93.53 4.75 1.73 57.87 29.76 6.02 0.52 1.32 0.00 3.36 1.16 91 K E B 95.03 6.15 22.39 29.57 131.03 73.33 -121.81 151.10 23.11 76.53 0.36 14.67 2.87 0.15 0.24 0.06 0.00 7.54 74.48 92 C C C 8.29 21.37 13.18 35.40 111.02 -105.81 -68.03 132.79 97.20 2.74 0.06 96.66 0.92 0.16 0.02 0.02 0.00 1.27 0.95 93 P C T 51.35 10.46 18.51 30.46 92.86 -137.42 -66.99 -22.99 99.64 0.07 0.29 0.75 6.76 92.16 0.01 0.26 0.00 0.04 0.02 94 T C T 68.23 8.38 17.58 26.59 100.49 42.79 -87.75 -39.77 99.51 0.11 0.38 0.32 5.66 93.62 0.01 0.29 0.00 0.05 0.04 95 C C T 63.48 5.75 15.26 22.42 102.02 20.67 -108.28 -10.43 99.06 0.33 0.60 3.34 15.56 80.14 0.05 0.56 0.00 0.16 0.18 96 N C C 108.49 5.58 14.75 22.11 94.20 -125.04 67.57 17.56 99.26 0.58 0.15 79.80 16.05 3.35 0.04 0.11 0.00 0.26 0.38 97 K C C 99.72 5.13 16.48 23.22 119.87 142.27 -83.34 146.84 96.17 3.70 0.13 81.42 14.53 0.42 0.04 0.09 0.00 1.87 1.64 98 A E B 65.04 6.08 19.03 25.95 115.26 -103.71 -67.67 144.88 18.15 81.65 0.21 14.07 0.82 0.07 0.15 0.03 0.00 9.53 75.33 99 F C C 28.34 22.21 10.23 31.21 117.13 -132.95 -93.25 139.98 93.98 5.66 0.37 88.73 4.68 0.68 0.11 0.22 0.00 3.97 1.61 100 S C C 53.43 4.86 19.55 24.78 128.20 -162.69 -112.14 172.58 93.60 3.43 2.98 78.80 9.73 4.35 0.67 2.69 0.00 1.66 2.09 101 S C T 83.46 4.92 14.73 20.87 94.90 -88.72 -68.04 -21.05 81.64 1.67 16.69 13.60 18.53 49.05 2.15 14.94 0.01 0.89 0.83 102 N C T 107.10 4.00 15.46 20.23 100.14 61.14 -88.19 16.36 80.46 1.67 17.86 14.94 16.60 48.39 2.38 16.00 0.00 0.97 0.72 103 D C C 58.88 12.69 12.43 25.37 103.92 118.14 -80.94 35.49 80.42 5.35 14.23 50.64 20.77 9.07 2.98 11.45 0.01 3.12 1.96 104 L C C 81.97 10.37 14.19 25.37 117.06 102.50 -96.63 130.79 70.98 22.63 6.40 54.85 10.96 4.60 3.11 3.50 0.05 15.97 6.97 105 L C C 67.78 11.28 13.53 25.80 120.85 -163.83 -111.60 134.82 60.14 35.83 4.04 52.20 5.62 2.04 2.14 1.84 0.01 32.87 3.28 106 T C C 89.30 4.95 15.11 21.66 115.46 -138.45 -93.85 130.66 54.95 41.56 3.49 49.81 3.02 1.54 1.71 1.49 0.00 40.05 2.38 107 V C C 64.51 11.79 9.35 21.74 117.09 -162.48 -105.73 127.25 70.65 25.30 4.05 60.55 5.74 3.25 1.72 1.89 0.00 25.21 1.64 108 H C C 136.16 3.07 11.80 16.52 115.77 -158.16 -103.52 127.09 79.50 18.31 2.19 75.42 1.38 2.69 0.94 0.81 0.00 16.67 2.10 109 L C C 98.39 7.94 11.29 20.31 110.42 -157.38 -91.89 113.89 99.61 0.37 0.01 99.61 0.07 0.03 0.00 0.00 0.00 0.27 0.02