# 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 109.10 7.27 10.72 19.32 117.16 -167.92 -98.43 131.57 99.80 0.19 0.01 99.79 0.07 0.02 0.00 0.00 0.00 0.11 0.01 1 K C C 141.17 3.20 11.22 16.05 118.18 -158.25 -106.35 133.00 75.33 23.84 0.83 74.36 0.78 0.72 0.33 0.30 0.00 21.33 2.17 2 N C C 106.77 4.55 9.63 16.15 119.03 -154.64 -106.05 137.16 60.19 38.39 1.43 51.27 6.10 1.84 0.53 0.89 0.00 36.55 2.81 3 V C C 77.60 8.25 9.49 19.21 118.08 -150.84 -105.86 130.95 54.23 44.60 1.17 49.06 3.45 0.93 0.50 0.59 0.00 43.38 2.10 4 L C C 107.61 4.17 13.45 19.23 118.35 -157.32 -106.91 130.89 53.35 45.42 1.24 48.03 3.73 1.00 0.57 0.62 0.00 43.97 2.09 5 I C C 91.55 8.63 10.42 20.37 118.31 -159.60 -105.82 131.27 61.43 37.29 1.28 53.79 5.58 1.25 0.62 0.67 0.00 35.56 2.53 6 H C C 114.98 5.65 11.54 18.85 118.45 -155.10 -103.52 132.48 76.56 22.18 1.26 67.24 6.45 1.86 0.50 0.71 0.00 21.12 2.12 7 K C C 142.34 4.16 11.20 16.97 110.41 -143.70 -90.39 124.84 87.69 10.29 2.01 57.06 20.24 10.25 0.56 1.52 0.00 8.86 1.51 8 G C C 46.34 4.45 11.67 17.36 118.83 -5.88 94.41 173.28 92.92 4.18 2.91 48.73 30.99 13.48 0.69 2.22 0.00 2.65 1.23 9 A C C 77.79 3.62 12.13 16.99 110.36 -42.89 -81.90 138.99 86.69 2.85 10.46 50.88 23.24 12.37 2.10 8.66 0.00 1.53 1.22 10 T C C 87.82 5.01 12.38 18.76 103.94 -113.08 -77.80 13.09 84.38 2.98 12.64 44.39 19.86 19.94 2.16 10.86 0.00 1.63 1.14 11 Y C C 103.55 10.81 10.75 22.00 107.81 60.40 -91.29 82.51 81.26 6.43 12.32 51.04 14.86 15.01 2.71 9.98 0.01 3.37 3.02 12 K C C 130.14 4.76 14.12 20.21 105.72 112.70 -92.17 54.39 88.28 5.52 6.20 62.88 18.19 6.94 2.18 4.07 0.00 3.08 2.67 13 T C C 53.04 8.86 11.06 21.45 126.29 133.12 -108.79 156.87 84.53 8.20 7.28 50.22 27.63 6.60 2.89 4.07 0.01 3.37 5.22 14 R C T 174.47 2.88 14.73 18.45 95.16 -127.04 -71.28 -19.49 63.61 3.14 33.24 16.36 19.88 29.24 3.67 27.86 0.04 1.73 1.23 15 S C T 58.95 6.72 14.03 22.04 96.04 66.33 -79.46 -10.43 63.42 4.15 32.43 15.76 16.62 32.56 3.02 28.18 0.02 2.69 1.15 16 N C C 56.28 13.15 11.91 25.38 111.29 77.01 -93.34 111.61 55.90 13.29 30.82 31.37 14.24 12.71 3.18 26.11 0.01 10.98 1.37 17 R C E 113.35 6.64 16.99 24.61 119.11 116.08 -99.75 139.17 48.94 48.76 2.30 39.07 7.60 2.27 0.56 1.58 0.00 47.80 1.13 18 R E E 121.69 10.16 13.87 24.92 120.26 -148.85 -103.96 135.16 8.31 91.64 0.06 7.79 0.45 0.05 0.02 0.03 0.00 91.34 0.32 19 R E E 98.30 7.65 15.05 24.35 127.88 -175.68 -127.95 145.46 1.51 98.48 0.01 1.42 0.06 0.00 0.00 0.00 0.00 98.48 0.04 20 K E E 117.80 6.06 14.59 22.27 115.88 -128.17 -92.80 130.69 0.95 99.05 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.06 0.02 21 V E E 43.73 10.54 11.48 23.77 127.29 -174.91 -124.95 148.50 1.57 98.43 0.00 1.46 0.05 0.00 0.00 0.00 0.00 98.45 0.03 22 R E E 155.10 2.78 13.59 17.71 114.69 -124.11 -90.69 126.98 6.93 93.05 0.01 6.53 0.30 0.01 0.00 0.00 0.00 92.52 0.62 23 T C C 37.70 10.37 7.32 18.74 122.84 -143.61 -86.63 165.81 96.63 3.33 0.04 96.45 0.56 0.08 0.01 0.02 0.00 2.62 0.25 24 P C T 120.14 1.28 10.13 12.24 91.49 -98.59 -61.62 -24.63 97.15 0.46 2.39 0.80 4.48 91.47 0.05 2.80 0.00 0.31 0.09 25 S C T 90.02 0.98 9.53 10.72 93.93 54.36 -85.87 -0.83 97.00 0.13 2.88 0.42 3.81 92.29 0.05 3.32 0.00 0.07 0.04 26 G C S 52.80 2.12 10.56 13.94 97.82 -101.28 87.23 5.03 97.04 0.67 2.29 13.50 78.24 5.48 0.16 1.95 0.00 0.36 0.30 27 K C C 118.89 2.80 11.07 15.62 117.89 132.90 -84.46 143.05 92.67 7.27 0.07 89.72 2.98 0.20 0.02 0.04 0.00 6.23 0.80 28 L E E 96.40 6.18 10.86 18.97 115.29 -122.65 -89.00 131.42 1.93 98.07 0.00 1.84 0.06 0.00 0.00 0.00 0.00 97.90 0.19 29 V E E 54.82 8.21 12.87 23.21 124.30 -172.19 -120.33 141.83 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 30 N E E 73.78 9.22 13.42 24.13 118.58 -138.88 -103.31 132.89 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 31 R E E 91.84 8.74 15.18 25.47 121.94 -167.58 -117.74 133.92 0.44 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 32 R E E 105.50 9.67 13.92 24.88 118.99 -151.19 -103.78 130.07 1.66 98.34 0.00 1.51 0.05 0.00 0.00 0.00 0.00 98.40 0.04 33 V E E 51.72 9.38 14.42 25.64 120.05 -164.91 -112.29 133.12 11.32 88.67 0.02 10.91 0.45 0.03 0.00 0.01 0.00 87.99 0.60 34 K C C 119.96 6.72 13.81 22.17 114.73 -134.20 -88.32 132.78 53.20 46.70 0.09 46.98 4.63 0.30 0.02 0.08 0.00 46.61 1.38 35 K C C 105.29 7.37 12.58 21.34 120.86 -152.13 -104.43 141.80 85.77 14.07 0.15 76.89 8.00 0.64 0.03 0.14 0.00 12.56 1.73 36 H C C 134.06 3.96 13.83 19.57 113.82 -110.82 -79.41 135.34 92.84 6.90 0.26 87.01 5.19 1.00 0.07 0.21 0.00 4.53 2.00 37 S C C 46.23 11.74 9.30 21.45 118.15 -122.75 -77.97 151.96 96.25 3.48 0.26 82.78 11.58 2.04 0.05 0.26 0.00 2.10 1.19 38 K C C 154.47 2.41 15.47 18.49 102.90 -142.92 -96.14 11.46 94.31 5.51 0.18 71.54 21.96 0.95 0.05 0.16 0.00 2.34 3.00 39 K C C 114.80 5.82 16.09 23.10 120.76 45.69 -97.11 141.60 93.95 5.94 0.11 70.97 23.08 0.40 0.03 0.10 0.00 3.86 1.57 40 H C C 54.48 15.83 13.14 28.98 112.92 -118.15 -81.76 135.44 91.51 8.40 0.09 85.91 5.37 0.29 0.02 0.08 0.00 7.54 0.80 41 R E B 110.28 6.50 21.39 28.81 127.91 -166.51 -125.81 147.43 5.83 94.15 0.02 4.74 0.16 0.00 0.03 0.00 0.00 14.13 80.93 42 C C C 10.62 19.95 12.07 32.78 110.36 -110.43 -70.68 129.65 86.58 13.39 0.02 88.27 0.46 0.05 0.01 0.01 0.00 9.21 1.99 43 H C T 101.17 6.93 18.48 26.59 93.09 -145.89 -68.75 -28.22 99.87 0.05 0.08 0.27 3.69 95.93 0.00 0.07 0.00 0.03 0.01 44 E C T 97.25 7.76 16.73 25.28 99.77 42.76 -84.45 -41.29 99.88 0.03 0.09 0.06 2.17 97.69 0.00 0.06 0.00 0.01 0.01 45 C C T 58.19 6.82 14.46 22.85 101.87 18.79 -107.68 -12.04 99.84 0.05 0.11 0.32 4.06 95.48 0.00 0.10 0.00 0.03 0.01 46 N C C 110.22 4.39 15.15 21.30 94.46 -126.72 71.07 17.21 99.60 0.31 0.09 86.10 9.79 3.66 0.02 0.07 0.00 0.16 0.19 47 A C C 45.46 6.81 14.82 23.54 119.62 142.34 -78.40 147.71 95.91 4.03 0.06 84.99 11.04 0.25 0.02 0.05 0.00 2.63 1.03 48 I E B 104.26 5.73 19.10 25.73 113.43 -108.64 -76.20 136.96 3.41 96.56 0.04 2.74 0.15 0.01 0.05 0.00 0.00 17.11 79.93 49 L C C 18.35 22.28 10.24 31.67 109.28 -143.12 -92.42 114.54 86.78 12.61 0.61 85.25 1.51 0.49 0.08 0.55 0.00 10.98 1.15 50 G C T 45.01 4.86 20.07 25.46 102.85 -150.36 -69.82 -29.68 88.29 8.03 3.67 32.55 21.60 34.50 0.38 3.70 0.00 6.15 1.11 51 S C T 68.58 7.00 18.69 25.80 100.20 26.50 -81.00 4.34 85.68 9.78 4.54 24.21 24.29 38.05 0.52 4.24 0.01 7.06 1.62 52 I C C 30.08 20.43 10.78 30.36 116.80 108.68 -95.80 126.59 79.74 17.71 2.55 60.23 16.39 2.22 0.91 1.86 0.00 11.47 6.92 53 A C C 57.18 5.62 20.18 26.24 115.65 -120.84 -72.82 146.78 83.17 14.78 2.06 74.80 5.81 2.14 0.68 1.41 0.00 11.66 3.51 54 R C C 137.28 8.89 15.38 25.37 113.09 -110.14 -75.63 133.56 86.84 11.19 1.97 66.43 17.17 3.20 0.76 1.30 0.00 7.04 4.11 55 M C C 51.86 13.79 11.44 25.79 126.37 -168.31 -116.87 148.38 90.89 8.29 0.81 74.09 15.31 0.79 0.49 0.36 0.00 3.20 5.77 56 R C C 127.12 3.04 18.11 21.09 116.16 -107.22 -74.28 146.97 99.31 0.43 0.26 96.01 3.22 0.15 0.20 0.04 0.00 0.16 0.22 57 P H H 71.06 9.68 11.09 21.90 91.82 -111.55 -56.80 -39.56 9.62 0.08 90.30 1.24 0.97 6.42 74.39 16.89 0.02 0.04 0.02 58 A H H 74.28 1.64 15.07 16.46 91.68 54.16 -64.57 -36.20 6.69 0.06 93.25 0.71 0.56 4.63 74.98 19.05 0.02 0.04 0.01 59 E H H 91.04 4.44 14.78 20.41 93.09 50.16 -68.56 -35.59 4.17 0.08 95.76 0.77 0.45 2.52 77.64 18.54 0.01 0.06 0.01 60 F H H 47.68 15.46 10.05 25.37 92.49 54.95 -66.67 -36.09 7.22 0.11 92.67 1.55 0.86 4.31 79.01 14.15 0.02 0.07 0.03 61 S H H 68.80 5.09 14.03 20.52 91.48 60.94 -68.49 -21.71 44.09 0.17 55.74 1.92 2.09 39.96 46.29 9.44 0.07 0.09 0.14 62 R C T 178.32 1.03 15.66 15.59 95.61 53.29 -88.68 -4.46 63.07 0.23 36.71 3.39 4.25 54.56 28.30 9.16 0.03 0.11 0.19 63 Q C C 60.13 12.80 7.84 20.84 117.10 104.74 -78.23 143.78 88.92 1.47 9.61 45.38 39.48 4.04 7.73 1.72 0.01 0.40 1.24 64 K C C 132.10 2.15 15.58 17.94 115.86 -131.74 -90.02 140.94 89.55 3.13 7.32 81.19 5.23 2.76 5.11 1.88 0.00 1.10 2.73 65 V H G 81.18 10.33 9.93 20.84 94.50 -118.51 -62.80 -33.60 39.71 1.54 58.75 12.67 7.67 19.66 14.89 43.52 0.09 0.82 0.68 66 S H G 82.43 2.30 13.77 16.95 93.71 62.64 -70.09 -20.82 41.40 0.86 57.74 8.12 7.03 25.17 14.07 44.59 0.08 0.45 0.48 67 A H G 69.90 4.02 13.81 18.96 96.22 57.54 -83.35 -9.38 38.46 1.32 60.22 13.14 8.40 17.69 13.01 46.41 0.06 0.70 0.60 68 R C C 89.01 13.52 10.82 24.22 109.08 90.13 -85.80 108.78 78.43 2.85 18.73 53.92 18.62 6.12 10.62 7.72 0.01 1.21 1.79 69 R C C 137.04 4.84 17.90 24.02 118.71 156.79 -104.65 134.10 82.81 11.40 5.79 66.76 11.49 2.46 3.99 1.95 0.01 4.03 9.31 70 V C C 44.14 17.08 10.86 27.33 112.78 -139.50 -89.28 124.78 89.04 7.17 3.79 75.64 9.82 2.91 2.15 1.60 0.00 3.65 4.23 71 N C C 109.56 3.57 17.07 21.75 106.15 129.73 -103.81 18.98 90.86 6.87 2.28 69.44 17.88 2.82 1.15 1.10 0.00 2.87 4.74 72 R C S 97.49 8.60 12.21 22.19 122.22 90.51 -96.84 148.56 86.99 5.91 7.11 32.98 44.50 9.19 2.61 3.77 0.05 2.07 4.83 73 P C T 88.52 5.51 14.31 21.12 94.91 -106.53 -63.42 -28.16 90.93 0.54 8.53 3.11 10.68 77.09 1.22 7.23 0.00 0.30 0.37 74 Y C T 133.01 6.04 12.99 20.22 99.32 41.40 -95.49 10.53 89.46 1.21 9.33 3.29 10.34 75.72 1.20 8.12 0.00 0.73 0.60 75 G C T 34.33 8.51 12.88 22.41 109.81 -118.94 66.79 6.94 81.13 5.18 13.68 24.17 26.12 30.74 2.91 10.48 0.04 2.24 3.31 76 A C T 65.89 7.39 14.86 22.88 100.84 1.40 -49.18 -2.66 86.34 2.80 10.87 20.20 28.40 37.89 2.85 7.74 0.01 1.31 1.62 77 T C S 71.83 7.21 16.02 24.07 106.61 83.56 -87.98 10.01 82.07 6.59 11.33 18.44 40.89 23.55 4.54 5.76 0.05 3.46 3.32 78 T C S 69.12 8.30 16.70 25.69 105.85 51.48 -86.44 -13.03 70.56 20.25 9.19 20.90 37.88 10.36 6.20 2.62 0.21 6.53 15.32 79 C C C 40.82 11.21 17.06 28.86 105.69 31.91 -85.98 57.09 85.32 6.83 7.85 69.25 9.30 5.45 7.10 1.45 0.00 2.60 4.83 80 G H H 19.22 14.16 15.74 30.26 94.57 112.71 -62.48 -37.91 8.03 0.07 91.90 3.48 1.76 3.16 90.55 0.99 0.01 0.02 0.03 81 R H H 139.77 3.46 22.39 25.99 92.59 53.28 -65.31 -39.72 2.50 0.01 97.48 0.47 0.33 1.58 96.76 0.85 0.00 0.01 0.00 82 C H H 37.28 7.46 19.92 28.66 92.16 50.08 -65.04 -42.54 1.44 0.01 98.54 0.39 0.17 0.83 97.73 0.87 0.00 0.01 0.00 83 V H H 17.72 16.88 17.00 34.46 92.11 49.72 -64.13 -42.87 0.59 0.01 99.41 0.24 0.07 0.25 99.27 0.17 0.00 0.00 0.00 84 R H H 94.35 11.45 19.87 31.02 91.81 51.39 -62.93 -42.20 0.40 0.00 99.60 0.12 0.04 0.20 99.59 0.05 0.00 0.00 0.00 85 E H H 109.45 3.12 22.03 24.93 92.03 49.70 -65.18 -40.92 0.26 0.00 99.74 0.08 0.03 0.12 99.75 0.02 0.00 0.00 0.00 86 K H H 93.16 7.35 20.40 28.13 92.38 48.85 -65.94 -41.23 0.21 0.00 99.78 0.05 0.01 0.11 99.80 0.02 0.00 0.00 0.00 87 I H H 38.42 15.19 17.67 33.03 92.36 48.27 -65.26 -42.73 0.23 0.00 99.77 0.05 0.01 0.12 99.78 0.03 0.00 0.00 0.00 88 I H H 62.67 9.64 19.07 29.11 91.71 48.74 -63.98 -42.58 0.40 0.00 99.60 0.07 0.02 0.24 99.60 0.06 0.00 0.00 0.00 89 S H H 59.30 3.08 20.59 23.42 91.97 49.70 -64.77 -41.47 1.32 0.00 98.68 0.15 0.08 0.95 98.61 0.21 0.00 0.00 0.00 90 A H H 38.54 7.54 18.35 26.87 92.33 49.79 -65.37 -40.89 4.78 0.01 95.21 0.34 0.28 3.97 94.94 0.45 0.01 0.00 0.00 91 F H H 63.45 12.29 17.15 29.62 93.01 46.25 -67.67 -41.29 11.76 0.06 88.18 1.31 1.11 9.03 87.63 0.83 0.02 0.02 0.04 92 L H H 76.80 6.82 17.88 25.15 92.88 49.18 -66.45 -39.52 18.74 0.23 81.02 3.62 2.49 12.59 79.53 1.50 0.04 0.09 0.12 93 G H H 36.63 3.08 18.83 21.88 93.13 50.79 -64.45 -42.35 19.13 0.19 80.68 5.83 2.66 10.46 79.35 1.50 0.02 0.08 0.10 94 N H H 75.45 5.45 18.16 23.96 92.95 48.94 -66.80 -39.52 10.76 0.10 89.14 4.49 1.60 4.67 88.00 1.15 0.00 0.04 0.04 95 E H H 64.55 10.70 15.76 27.08 92.38 51.93 -65.07 -40.66 4.13 0.04 95.83 1.85 0.58 1.68 95.13 0.73 0.00 0.01 0.01 96 E H H 97.51 5.11 17.29 23.13 91.69 52.07 -64.23 -40.48 1.54 0.01 98.44 0.60 0.20 0.69 98.09 0.41 0.00 0.01 0.00 97 R H H 135.76 2.00 19.15 20.31 92.08 50.32 -65.15 -41.11 1.11 0.01 98.88 0.38 0.13 0.56 98.58 0.34 0.00 0.00 0.00 98 I H H 66.02 5.91 17.21 23.88 91.82 49.64 -64.58 -42.83 0.87 0.01 99.12 0.28 0.10 0.45 98.93 0.24 0.00 0.00 0.00 99 V H H 53.69 8.30 15.61 24.76 91.96 49.53 -63.86 -42.56 0.75 0.01 99.24 0.24 0.08 0.38 99.11 0.18 0.00 0.00 0.00 100 M H H 100.22 3.18 17.05 20.67 91.76 50.15 -63.98 -41.39 0.90 0.01 99.09 0.25 0.09 0.48 98.99 0.19 0.00 0.00 0.00 101 E H H 115.48 2.01 17.36 18.90 92.07 49.66 -65.13 -40.82 1.42 0.01 98.57 0.34 0.14 0.82 98.46 0.23 0.00 0.00 0.00 102 K H H 100.31 5.07 15.49 20.99 92.62 48.87 -65.94 -40.76 2.41 0.02 97.57 0.62 0.28 1.36 97.37 0.36 0.00 0.01 0.00 103 T H H 66.77 4.98 13.96 19.80 92.79 49.33 -65.73 -39.43 4.47 0.05 95.48 1.29 0.55 2.37 95.16 0.58 0.01 0.02 0.01 104 G H H 43.24 2.27 13.96 16.74 93.93 51.91 -64.27 -39.35 10.36 0.10 89.53 3.16 1.22 5.62 88.80 1.10 0.01 0.05 0.04 105 A H H 73.17 2.09 12.44 15.11 93.62 51.82 -68.48 -35.28 17.04 0.20 82.76 5.90 2.44 8.57 81.17 1.73 0.02 0.09 0.08 106 A H H 79.72 2.60 10.92 14.31 95.94 54.29 -74.09 -26.05 27.32 0.41 72.27 10.36 4.36 12.80 70.11 1.99 0.03 0.18 0.19 107 A H H 86.84 1.68 9.33 12.14 100.26 60.60 -78.87 -6.03 47.43 0.78 51.79 19.08 6.93 21.60 49.71 1.95 0.03 0.31 0.39 108 G C C 60.12 1.43 10.04 12.43 104.81 43.60 -62.66 5.29 80.55 0.45 19.01 53.24 1.74 23.19 20.43 0.97 0.00 0.20 0.24 109 G C C 54.58 2.54 12.17 16.03 110.00 -57.13 82.58 -45.06 99.94 0.03 0.02 99.75 0.12 0.09 0.01 0.00 0.00 0.02 0.00