# 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 84.82 11.31 13.96 25.78 117.65 -155.96 -94.14 136.10 99.88 0.11 0.01 99.71 0.18 0.03 0.00 0.00 0.00 0.05 0.02 1 P C C 69.54 8.71 12.22 22.22 113.50 -107.86 -66.49 148.97 95.81 2.01 2.18 91.86 0.82 3.78 0.59 1.04 0.00 1.06 0.85 2 S C C 81.64 3.65 12.31 17.76 109.41 -130.31 -85.84 121.84 89.69 7.30 3.02 67.96 11.35 9.75 0.81 2.36 0.00 3.64 4.13 3 T C C 81.60 7.35 11.18 19.77 109.02 -145.91 -95.54 90.50 88.63 7.75 3.63 52.81 28.33 7.70 1.07 2.51 0.00 4.07 3.50 4 S C C 56.73 6.15 13.27 20.90 116.75 -131.19 -91.50 136.93 92.54 4.23 3.23 61.79 28.47 2.61 1.85 1.29 0.00 2.17 1.81 5 P C C 73.30 8.26 12.73 22.22 100.99 -112.05 -65.73 -8.35 69.52 2.75 27.73 43.27 9.29 17.04 10.26 17.33 0.01 1.56 1.24 6 A C C 56.05 8.88 12.98 22.72 101.01 58.64 -75.05 -18.01 65.11 3.46 31.43 32.69 12.45 20.64 11.37 19.39 0.03 1.84 1.59 7 D C C 72.55 8.74 13.00 22.60 101.39 62.91 -82.30 -0.05 64.90 3.33 31.77 39.35 11.14 14.20 11.38 20.66 0.01 1.81 1.45 8 K C T 125.62 6.18 13.78 21.20 96.57 72.00 -73.80 -17.21 74.35 2.19 23.46 20.69 14.92 39.42 12.21 10.45 0.05 1.14 1.11 9 D C T 100.85 4.17 16.55 21.61 97.99 57.19 -89.29 -0.52 80.67 2.37 16.96 23.63 16.94 41.08 8.45 7.57 0.03 1.33 0.98 10 V C C 40.06 14.53 12.33 27.36 114.56 100.12 -90.10 127.36 91.25 4.21 4.55 47.91 42.25 1.76 3.86 0.78 0.00 1.71 1.72 11 P C C 55.55 9.06 18.32 28.28 109.32 -111.63 -66.76 140.13 83.64 6.56 9.79 77.78 3.23 2.56 8.46 1.70 0.00 3.85 2.42 12 M H H 71.59 15.19 15.37 29.70 100.52 -137.40 -75.34 -22.81 39.64 12.52 47.83 26.46 7.41 7.29 35.16 11.36 0.12 10.26 1.95 13 S H H 56.53 7.81 18.81 27.08 99.66 69.67 -75.41 -20.94 27.19 20.74 52.07 16.54 5.49 6.83 38.08 12.44 0.16 18.85 1.61 14 I H H 60.16 12.79 17.50 30.32 100.17 65.95 -78.40 -14.54 19.49 21.74 58.77 11.56 4.04 5.71 42.90 13.80 0.19 20.35 1.42 15 L H H 44.04 16.78 16.31 32.31 101.49 69.51 -81.74 -13.94 23.11 21.25 55.64 13.38 4.86 6.78 42.17 11.42 0.32 19.19 1.88 16 H H H 89.47 11.08 17.97 28.95 104.21 63.82 -88.35 16.52 34.68 18.15 47.17 18.97 7.16 10.31 36.44 8.80 0.39 15.61 2.33 17 T C H 60.70 10.38 16.90 27.70 108.64 90.29 -92.09 77.86 50.80 9.52 39.68 21.00 13.67 17.76 31.45 6.63 0.40 6.94 2.15 18 H C T 92.05 11.02 17.70 28.58 103.64 -6.49 -84.23 22.98 69.32 3.46 27.21 13.16 13.67 41.67 22.41 5.52 0.15 2.20 1.22 19 G C T 27.35 12.88 18.79 31.09 103.21 -12.47 70.75 -11.10 75.03 4.37 20.60 21.86 14.69 38.51 16.42 4.43 0.06 2.87 1.15 20 L C C 47.48 16.34 17.31 32.82 100.48 92.89 -78.65 -16.03 51.10 12.60 36.29 36.77 7.66 6.85 31.77 4.71 0.06 9.82 2.35 21 S H H 47.97 9.86 21.91 31.68 98.34 72.18 -72.58 -31.74 37.42 19.73 42.85 24.57 6.27 6.97 37.13 5.08 0.12 17.84 2.02 22 Y H H 45.22 17.86 20.34 36.97 95.83 57.00 -72.11 -33.98 23.86 23.04 53.10 14.36 4.59 6.00 46.54 4.87 0.18 21.63 1.83 23 V H H 19.98 20.50 19.35 38.59 94.74 58.31 -67.00 -40.91 18.23 17.06 64.70 11.02 3.05 4.62 58.83 4.09 0.08 17.35 0.95 24 N H H 72.68 8.49 23.40 31.76 93.15 53.98 -65.69 -39.12 16.40 12.20 71.40 8.90 2.96 5.74 63.87 5.04 0.14 12.52 0.84 25 W H H 78.17 11.04 21.87 33.10 92.84 50.69 -66.25 -40.29 12.25 7.80 79.94 5.46 2.22 5.81 71.59 6.20 0.18 7.95 0.59 26 C H H 11.20 21.18 17.69 38.35 92.93 50.56 -66.83 -40.37 10.28 5.91 83.80 4.40 1.86 5.07 76.00 6.43 0.14 5.57 0.52 27 M H H 61.01 14.42 18.83 32.72 93.16 52.55 -68.38 -33.14 14.18 4.35 81.47 4.13 2.28 8.57 73.02 7.38 0.21 3.90 0.52 28 S H H 66.68 5.45 20.94 26.44 95.03 51.23 -75.59 -26.56 25.23 3.29 71.49 4.67 3.41 17.99 64.52 5.79 0.26 2.86 0.51 29 L H H 62.08 12.69 17.49 30.03 99.41 47.30 -88.55 -22.54 41.53 3.21 55.26 8.19 8.98 26.19 48.59 4.38 0.42 2.29 0.95 30 A C C 29.12 15.69 15.47 30.69 114.50 32.54 -106.20 118.26 79.51 2.88 17.61 44.09 25.67 9.53 13.42 4.49 0.01 1.78 1.00 31 P C T 71.75 9.29 18.15 27.98 102.58 -127.93 -67.09 47.40 61.96 1.66 36.38 14.93 9.46 37.21 24.09 12.45 0.09 1.12 0.66 32 G C T 35.06 10.85 19.61 29.99 100.30 35.76 14.12 -16.68 54.38 4.25 41.37 12.45 8.27 32.89 28.49 13.25 0.20 3.47 0.97 33 L H H 44.77 16.20 17.70 33.25 103.33 78.47 -81.09 1.96 38.81 15.06 46.12 22.47 7.91 9.70 32.75 12.75 0.18 12.38 1.86 34 L H H 49.54 15.14 20.81 35.12 103.75 97.44 -79.49 -11.52 27.09 31.30 41.61 16.78 5.57 6.13 34.02 7.25 0.19 27.73 2.33 35 V H E 34.65 17.40 20.90 37.12 100.11 67.77 -75.12 -35.19 23.31 38.06 38.63 13.56 4.73 5.70 33.47 5.45 0.21 34.87 2.01 36 F H H 54.96 15.94 21.52 36.30 97.81 52.48 -70.47 -39.59 25.54 33.00 41.46 15.02 4.77 6.32 36.07 5.35 0.19 30.33 1.95 37 E H H 66.16 13.07 23.16 35.41 94.83 51.97 -68.97 -39.05 26.45 18.76 54.79 11.90 5.12 10.50 48.40 4.97 0.32 17.41 1.36 38 G H H 11.24 17.85 21.33 38.16 95.53 49.98 -66.12 -41.91 27.70 10.62 61.68 10.08 5.19 13.74 54.62 5.34 0.28 9.84 0.92 39 F H H 35.04 18.74 21.75 39.19 93.77 49.79 -67.06 -41.47 17.94 10.82 71.23 8.19 3.50 7.87 63.56 5.56 0.23 10.26 0.84 40 F H H 57.72 12.91 23.25 35.99 93.08 51.10 -66.87 -41.06 15.23 11.60 73.17 7.33 2.99 6.35 66.18 4.90 0.21 11.16 0.89 41 R H H 69.53 12.73 23.34 35.71 92.71 51.00 -65.77 -40.45 15.66 9.48 74.85 7.97 2.72 6.18 69.00 4.08 0.12 9.17 0.76 42 A H H 12.45 18.81 19.08 37.67 93.46 52.62 -65.69 -39.39 13.02 6.15 80.83 6.48 2.33 5.46 74.72 4.46 0.10 5.91 0.54 43 R H H 84.83 11.64 21.25 32.68 93.11 51.82 -66.29 -39.07 12.31 5.40 82.29 4.90 2.15 6.38 75.25 5.61 0.16 5.01 0.53 44 Y H H 82.23 9.09 20.51 30.18 93.56 49.88 -68.22 -39.73 14.21 4.91 80.88 4.98 2.37 8.04 73.07 6.30 0.20 4.47 0.57 45 Y H H 55.30 14.23 17.16 31.54 94.67 48.28 -74.96 -31.24 18.72 4.49 76.79 7.19 3.33 9.86 68.19 6.70 0.20 3.79 0.74 46 R H H 83.61 14.28 15.24 29.12 93.99 59.64 -68.12 -31.02 26.07 3.47 70.45 8.91 4.64 14.10 58.47 10.13 0.23 2.66 0.86 47 S H H 74.11 4.14 17.63 22.50 95.42 52.81 -78.84 -19.81 46.10 1.81 52.09 9.16 7.74 29.86 43.00 8.17 0.21 1.14 0.72 48 R C T 144.84 4.26 17.62 22.49 101.89 46.13 -96.16 -3.96 59.48 2.13 38.40 16.34 13.24 31.51 29.21 7.47 0.15 1.07 1.03 49 V C S 36.55 18.19 9.74 26.96 115.77 100.80 -90.67 130.21 98.62 0.95 0.43 44.76 53.39 0.59 0.32 0.09 0.00 0.29 0.55 50 P C C 56.62 6.76 15.72 24.13 114.82 -108.63 -67.01 150.41 99.51 0.22 0.27 96.63 2.15 0.81 0.09 0.12 0.00 0.10 0.11 51 P C T 95.10 5.34 14.02 20.81 103.66 -100.46 -64.20 126.87 95.60 0.58 3.82 9.08 10.50 75.96 0.69 3.17 0.00 0.35 0.24 52 S C T 81.39 3.75 15.98 20.80 99.75 27.81 25.09 7.34 93.79 2.46 3.75 9.23 9.71 74.85 0.60 3.12 0.00 2.11 0.37 53 R C C 82.79 12.19 13.45 26.32 121.77 125.56 -101.02 141.74 76.27 18.90 4.83 53.85 18.94 3.68 1.28 3.43 0.00 17.13 1.68 54 T E E 61.83 10.00 18.24 28.95 124.14 -152.64 -114.02 141.18 31.79 66.29 1.92 28.06 2.54 1.04 0.86 0.97 0.00 65.05 1.48 55 V E E 27.89 16.95 15.25 32.62 120.94 -159.69 -112.22 131.74 11.59 86.74 1.67 9.79 1.45 0.72 0.94 0.65 0.00 85.55 0.89 56 L E E 74.95 8.73 18.32 28.05 116.96 -149.22 -102.51 126.33 12.24 86.03 1.73 9.92 1.61 0.93 1.01 0.65 0.00 85.15 0.73 57 M E E 54.62 14.43 12.35 26.89 117.20 -170.26 -118.09 120.90 28.33 68.51 3.16 20.39 5.18 3.58 1.70 1.45 0.01 66.33 1.37 58 N C T 119.17 3.46 15.79 20.51 96.59 -25.76 49.34 43.54 83.30 6.24 10.46 11.84 14.14 57.37 6.92 3.51 0.06 5.19 0.98 59 G C T 50.19 4.58 15.44 20.99 96.87 -48.09 79.95 -0.79 78.88 3.83 17.29 11.15 14.13 53.40 13.07 4.41 0.07 2.84 0.93 60 L E E 58.29 12.36 13.67 26.77 117.60 110.39 -103.17 137.78 25.09 56.27 18.65 15.01 5.78 5.39 17.87 3.42 0.16 49.23 3.15 61 K E E 93.69 9.99 18.42 28.73 111.48 -130.37 -86.57 129.22 14.05 66.40 19.55 9.38 1.89 2.00 21.32 2.00 0.02 62.00 1.39 62 M E E 44.55 16.39 16.57 32.70 112.07 -156.51 -93.26 130.06 11.61 56.20 32.18 7.59 1.42 1.73 32.18 2.36 0.02 53.91 0.77 63 R E E 98.38 9.96 22.13 31.94 110.54 -152.63 -87.87 133.77 11.35 47.23 41.42 7.03 1.56 2.09 39.96 2.84 0.04 45.75 0.73 64 M H H 40.60 17.27 19.13 35.59 101.83 -120.55 -74.28 -31.01 11.93 31.95 56.12 6.93 1.97 3.03 50.98 4.16 0.08 32.08 0.76 65 F H H 53.52 15.47 19.51 34.34 104.70 58.36 -80.43 -22.03 14.80 23.34 61.87 8.46 2.57 4.44 54.33 5.32 0.11 23.89 0.87 66 S H H 39.94 9.80 20.18 30.38 100.61 56.67 -73.92 -36.67 22.05 15.53 62.42 11.68 4.01 7.66 53.47 6.32 0.17 15.65 1.06 67 L H H 56.75 11.33 18.31 29.97 96.88 50.90 -71.72 -33.44 25.27 10.04 64.70 11.39 5.17 10.79 54.33 7.65 0.31 9.14 1.22 68 A H H 33.32 13.20 15.40 28.87 96.33 58.09 -69.39 -35.25 31.88 7.75 60.37 15.26 6.36 12.56 50.59 7.31 0.20 6.45 1.26 69 R H H 122.48 8.45 15.73 24.74 98.42 60.37 -73.54 -26.79 42.20 7.32 50.48 20.52 7.84 15.85 41.75 6.76 0.15 5.60 1.51 70 Q C H 111.16 5.12 14.70 20.80 100.43 69.24 -81.99 -11.96 57.49 5.83 36.69 26.02 11.69 20.59 30.46 5.66 0.11 4.01 1.46 71 Q C C 110.14 5.40 14.18 20.76 106.83 56.71 -93.94 27.04 70.09 6.19 23.72 33.95 17.62 19.08 18.91 4.67 0.08 3.79 1.90 72 A C C 49.75 9.78 11.59 22.36 115.77 -119.12 -84.41 141.19 90.57 3.67 5.77 49.82 35.58 5.65 3.80 1.90 0.00 2.01 1.25 73 P C C 72.00 7.44 12.94 21.71 108.10 -98.45 -69.00 143.07 86.55 3.19 10.26 58.84 14.95 12.85 5.26 4.94 0.00 2.28 0.87 74 K C C 133.39 4.51 13.96 19.87 107.39 -132.45 -83.25 94.98 69.50 15.89 14.60 43.04 14.95 11.63 7.89 6.91 0.05 12.35 3.18 75 I C C 83.91 8.87 11.71 21.65 108.28 140.90 -90.88 94.24 57.95 28.31 13.75 40.44 10.12 7.28 8.40 5.85 0.10 23.08 4.73 76 V C C 77.93 8.04 11.62 20.87 109.50 92.75 -92.97 102.86 62.96 27.24 9.80 43.07 11.65 8.10 5.84 4.16 0.04 23.79 3.34 77 H C C 125.25 4.84 12.66 18.84 106.79 56.91 -91.23 53.31 74.19 19.71 6.10 42.95 22.97 9.00 3.04 3.01 0.03 16.51 2.50 78 K C C 125.18 4.56 12.99 19.18 117.86 58.76 -102.24 131.88 84.18 13.23 2.59 44.00 36.45 4.03 1.31 1.24 0.00 11.29 1.68 79 P C C 77.75 7.55 12.69 21.51 110.73 -109.55 -70.28 140.72 83.38 12.22 4.40 66.62 10.23 6.10 1.81 2.45 0.00 11.18 1.62 80 V C C 80.84 8.26 12.36 21.82 113.22 -146.63 -94.66 124.85 69.66 24.52 5.82 54.59 8.63 4.94 3.41 2.83 0.02 18.47 7.12 81 L C C 90.47 8.05 12.18 21.39 112.57 -150.36 -94.95 123.45 72.56 21.97 5.47 52.58 14.47 4.91 3.36 2.50 0.02 16.92 5.23 82 S C C 57.13 6.83 13.63 21.81 119.14 -147.02 -98.46 143.78 80.32 14.17 5.51 53.69 22.27 4.64 3.80 2.06 0.01 10.76 2.77 83 P C C 79.12 6.40 14.61 22.09 99.60 -106.52 -70.95 -13.40 77.70 7.68 14.63 45.86 22.82 8.88 12.19 3.25 0.03 4.89 2.09 84 I C C 63.17 11.49 12.00 24.05 103.66 69.66 -79.30 -16.92 63.05 2.09 34.85 43.89 12.66 5.73 33.57 2.41 0.01 1.06 0.68 85 P H H 69.94 4.95 15.39 21.45 97.73 54.55 -65.43 -36.91 42.32 1.02 56.65 32.23 4.02 6.49 53.11 3.26 0.00 0.57 0.32 86 E H H 104.74 4.72 16.60 22.13 94.12 52.48 -67.17 -37.87 16.61 0.65 82.74 8.30 2.70 6.73 76.57 5.05 0.02 0.44 0.19 87 H H H 68.92 11.47 15.68 27.60 93.38 52.77 -66.30 -38.83 12.03 0.60 87.36 6.38 1.83 4.79 81.53 4.84 0.02 0.44 0.16 88 L H H 63.94 9.29 16.82 26.74 92.79 52.15 -65.24 -40.02 5.25 0.27 94.49 3.13 0.78 1.85 91.59 2.38 0.00 0.20 0.05 89 R H H 122.71 3.88 20.28 24.40 92.41 52.04 -64.73 -40.84 2.94 0.20 96.86 1.57 0.42 1.19 95.58 1.04 0.00 0.16 0.03 90 L H H 54.88 10.17 18.54 29.48 92.74 50.72 -65.07 -41.82 2.58 0.21 97.21 1.26 0.36 1.18 96.15 0.85 0.00 0.16 0.03 91 V H H 40.07 13.33 18.00 31.55 92.73 50.03 -65.04 -42.04 1.78 0.12 98.10 0.87 0.25 0.79 97.48 0.50 0.00 0.09 0.02 92 K H H 105.29 5.37 21.08 26.75 92.22 50.61 -64.73 -41.18 1.67 0.08 98.25 0.70 0.21 0.83 97.86 0.34 0.00 0.05 0.01 93 N H H 71.86 5.70 21.52 27.58 92.79 49.45 -65.68 -40.20 2.28 0.07 97.65 0.82 0.27 1.23 97.29 0.33 0.00 0.04 0.01 94 V H H 35.92 13.46 18.93 32.72 92.77 50.72 -65.43 -41.81 1.29 0.03 98.68 0.46 0.16 0.65 98.52 0.19 0.00 0.01 0.01 95 A H H 34.70 9.54 19.28 29.60 91.79 51.55 -63.48 -41.56 0.86 0.01 99.13 0.27 0.09 0.44 99.08 0.11 0.00 0.01 0.00 96 Q H H 99.45 3.32 22.35 25.34 91.99 50.47 -65.05 -41.12 0.82 0.01 99.17 0.20 0.08 0.47 99.14 0.10 0.00 0.00 0.00 97 V H H 48.75 9.23 19.60 29.66 92.36 49.79 -64.89 -42.57 0.51 0.01 99.49 0.13 0.05 0.28 99.48 0.06 0.00 0.00 0.00 98 Q H H 60.69 12.10 18.83 30.88 92.15 50.24 -64.38 -41.56 0.46 0.01 99.53 0.11 0.04 0.26 99.54 0.04 0.00 0.00 0.00 99 I H H 77.41 5.02 20.38 25.87 91.90 49.81 -64.28 -42.23 0.43 0.00 99.57 0.09 0.04 0.25 99.58 0.04 0.00 0.00 0.00 100 D H H 71.54 3.80 20.89 24.56 91.73 49.90 -64.76 -41.33 0.42 0.00 99.57 0.08 0.04 0.26 99.59 0.03 0.00 0.00 0.00 101 M H H 57.96 10.11 18.03 28.94 92.21 50.44 -64.77 -41.57 0.42 0.00 99.57 0.06 0.04 0.28 99.57 0.05 0.00 0.00 0.00 102 L H H 63.55 8.29 17.95 27.10 92.11 50.87 -63.88 -41.61 0.42 0.00 99.58 0.06 0.03 0.28 99.57 0.06 0.00 0.00 0.00 103 K H H 118.81 2.52 20.02 22.11 91.79 50.67 -64.31 -41.29 0.89 0.01 99.10 0.12 0.07 0.63 99.07 0.11 0.00 0.00 0.00 104 L H H 76.54 4.99 17.86 23.47 92.13 49.75 -65.02 -41.43 1.62 0.02 98.36 0.28 0.14 1.12 98.22 0.21 0.00 0.01 0.00 105 L H H 63.15 7.54 16.19 24.85 92.11 49.89 -64.64 -41.79 2.18 0.04 97.78 0.56 0.25 1.36 97.45 0.35 0.00 0.02 0.01 106 N H H 83.64 3.37 16.80 20.68 92.09 49.99 -64.76 -39.99 4.74 0.06 95.20 1.16 0.47 2.98 94.65 0.67 0.01 0.03 0.02 107 A H H 55.95 2.63 14.75 17.94 92.26 51.66 -64.49 -40.06 7.11 0.11 92.78 1.87 0.80 4.36 91.52 1.33 0.01 0.06 0.03 108 Q H H 103.45 3.21 13.48 17.61 93.01 51.37 -66.94 -37.23 12.12 0.17 87.71 2.96 1.45 7.63 85.97 1.81 0.02 0.09 0.07 109 A H H 68.66 3.44 11.09 15.89 93.91 54.25 -69.49 -31.15 27.95 0.47 71.58 6.86 3.36 17.95 69.37 1.97 0.05 0.21 0.24 110 A C H 82.07 1.89 9.94 12.99 97.38 57.84 -78.69 -14.90 56.26 0.72 43.02 27.27 1.78 25.43 43.20 1.63 0.00 0.28 0.40 111 K C C 149.06 2.30 11.54 15.26 104.09 75.22 -79.92 32.07 99.78 0.07 0.14 99.34 0.21 0.29 0.11 0.01 0.00 0.04 0.02