# 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 81.01 11.32 13.32 25.00 111.57 -134.37 -85.84 124.83 99.84 0.06 0.09 99.79 0.07 0.05 0.05 0.00 0.00 0.02 0.01 1 A C C 62.55 6.37 12.19 19.87 102.58 103.16 -75.34 -27.58 62.20 1.71 36.09 56.44 1.56 6.56 24.47 9.27 0.00 1.00 0.70 2 D C C 103.72 2.43 13.68 16.83 96.32 66.53 -71.51 -24.49 48.62 2.96 48.42 28.33 7.98 12.61 27.94 20.27 0.03 1.82 1.02 3 L H G 53.54 11.95 10.74 23.33 95.42 58.84 -75.23 -18.70 32.58 2.81 64.62 17.23 5.47 10.22 31.10 33.26 0.04 1.90 0.78 4 V H H 62.25 12.09 11.37 23.86 93.77 73.26 -68.30 -23.79 38.15 1.56 60.30 8.54 6.71 21.34 32.01 29.61 0.17 0.92 0.71 5 D C T 118.00 1.43 16.17 17.25 96.03 54.88 -88.53 -0.44 58.80 0.80 40.40 10.23 9.68 38.34 16.38 24.33 0.04 0.41 0.58 6 K C S 78.53 8.40 10.11 20.38 118.66 105.26 -82.33 142.72 99.53 0.35 0.11 19.59 79.83 0.23 0.04 0.03 0.00 0.09 0.19 7 P C C 72.67 3.28 15.33 19.47 113.14 -103.66 -63.26 146.95 98.08 1.66 0.26 97.60 0.53 0.10 0.09 0.07 0.00 0.39 1.22 8 R H G 123.75 11.02 9.64 21.13 92.31 -116.37 -58.84 -34.78 11.02 0.10 88.88 2.06 1.13 5.93 1.17 89.62 0.00 0.07 0.01 9 S H G 95.03 1.01 14.36 14.87 90.79 62.44 -69.42 -16.38 10.29 0.07 89.64 0.59 0.79 7.38 0.80 90.39 0.00 0.04 0.00 10 E H G 135.66 1.81 13.89 15.98 94.52 55.38 -89.82 -5.44 10.94 0.10 88.95 1.33 1.35 6.37 0.87 90.00 0.00 0.06 0.01 11 L C S 34.66 16.10 5.82 20.51 118.84 100.25 -82.15 144.67 98.37 0.69 0.95 39.84 58.03 0.40 0.61 0.19 0.00 0.11 0.82 12 S C C 57.40 2.30 15.07 17.50 120.64 -123.77 -77.96 163.60 99.15 0.40 0.44 97.80 1.28 0.10 0.39 0.03 0.00 0.09 0.31 13 E H H 147.56 1.80 12.41 15.33 91.63 -101.78 -58.81 -37.51 1.93 0.01 98.06 0.54 0.33 0.92 97.88 0.32 0.00 0.00 0.00 14 I H H 112.75 1.46 14.29 15.37 92.31 52.25 -64.92 -40.40 0.99 0.00 99.00 0.22 0.10 0.56 98.76 0.36 0.00 0.00 0.00 15 E H H 77.35 6.12 13.30 21.12 92.26 49.53 -65.18 -40.31 0.60 0.01 99.39 0.18 0.05 0.30 99.04 0.42 0.00 0.00 0.00 16 L H H 57.49 8.21 12.99 22.96 91.87 50.86 -64.12 -40.88 0.60 0.01 99.39 0.16 0.06 0.30 99.23 0.25 0.00 0.00 0.00 17 A H H 56.58 2.35 16.55 18.91 91.61 50.85 -64.04 -40.71 2.10 0.02 97.88 0.48 0.17 1.21 97.84 0.28 0.00 0.01 0.00 18 R H H 127.25 2.51 17.09 19.57 92.27 50.33 -65.73 -40.58 3.60 0.03 96.37 0.81 0.32 2.18 96.13 0.52 0.00 0.02 0.01 19 L H H 49.70 9.94 13.23 24.61 92.28 51.35 -64.84 -40.92 3.95 0.05 95.99 1.46 0.47 1.89 94.93 1.20 0.00 0.03 0.02 20 E H H 97.83 5.73 15.79 22.57 92.40 51.76 -64.94 -38.95 6.54 0.08 93.38 2.08 0.67 3.57 91.80 1.79 0.01 0.05 0.02 21 E H H 119.66 2.27 16.75 18.93 92.91 50.75 -67.16 -37.29 12.28 0.10 87.62 2.62 1.36 7.94 85.76 2.21 0.02 0.05 0.04 22 Y H H 115.02 5.49 15.27 21.69 95.65 48.26 -75.13 -32.11 25.40 0.32 74.29 9.10 4.33 12.15 71.46 2.64 0.02 0.13 0.16 23 E H H 85.86 8.91 14.55 24.22 96.08 59.94 -68.96 -31.75 37.07 0.78 62.15 20.38 5.07 12.66 56.64 4.51 0.02 0.38 0.35 24 F H H 100.13 9.20 14.08 24.00 96.10 56.31 -76.16 -23.16 44.63 0.86 54.52 19.05 6.57 19.76 45.20 8.52 0.04 0.43 0.44 25 S C H 73.46 4.15 15.89 20.86 99.22 55.51 -86.10 -11.05 55.75 0.79 43.45 18.12 10.26 28.21 35.13 7.41 0.04 0.35 0.47 26 A C T 64.84 5.52 15.76 22.27 108.08 55.49 -100.66 8.16 68.67 0.76 30.56 19.21 24.16 25.59 25.12 5.04 0.04 0.26 0.59 27 G C S 24.59 8.46 17.14 26.48 129.53 -17.91 107.68 -174.83 81.07 0.39 18.53 25.58 45.73 7.70 19.02 1.56 0.00 0.09 0.31 28 P H H 48.69 14.28 17.07 31.36 93.45 -53.37 -64.72 -31.96 29.83 0.14 70.04 5.35 4.73 19.64 67.25 2.84 0.03 0.05 0.10 29 L H H 49.68 15.57 17.82 32.97 92.47 54.34 -65.62 -35.44 16.18 0.15 83.67 4.07 2.05 10.07 81.05 2.58 0.03 0.07 0.08 30 S H H 44.42 5.81 21.25 27.86 91.90 58.06 -63.57 -39.85 5.26 0.10 94.65 2.99 0.74 1.75 92.72 1.70 0.00 0.05 0.03 31 V H H 39.82 12.24 20.92 33.54 92.04 50.76 -64.74 -42.37 1.50 0.06 98.44 0.71 0.19 0.61 97.86 0.58 0.00 0.03 0.01 32 L H H 13.28 22.50 18.12 40.20 91.99 50.24 -64.54 -42.19 0.88 0.04 99.08 0.34 0.10 0.40 98.75 0.38 0.00 0.02 0.00 33 Q H H 78.03 9.29 22.09 31.50 91.38 51.66 -62.78 -41.49 0.97 0.05 98.98 0.33 0.11 0.48 98.71 0.34 0.00 0.03 0.01 34 Q H H 84.64 3.93 22.99 26.66 91.79 49.79 -64.37 -41.27 1.50 0.08 98.43 0.46 0.19 0.81 98.03 0.45 0.01 0.05 0.01 35 A H H 9.45 16.04 15.47 32.74 91.69 51.08 -64.32 -42.00 2.32 0.11 97.57 0.68 0.26 1.30 96.92 0.74 0.01 0.07 0.02 36 V H H 43.33 15.23 15.68 30.72 92.50 49.77 -65.64 -40.67 3.48 0.09 96.43 0.76 0.32 2.21 95.52 1.10 0.01 0.06 0.02 37 K H H 143.95 2.38 18.61 20.99 92.03 50.99 -66.94 -34.12 9.09 0.05 90.86 0.71 0.62 7.40 90.35 0.86 0.02 0.02 0.02 38 N C T 95.16 3.49 16.64 20.70 96.65 41.42 -92.61 0.17 58.12 0.15 41.73 2.20 3.66 50.03 42.86 1.09 0.02 0.05 0.09 39 H C T 120.53 8.12 15.45 24.80 95.45 -122.94 59.16 37.12 97.90 0.28 1.82 12.27 5.51 80.39 1.21 0.38 0.00 0.18 0.07 40 D C C 54.49 10.04 17.49 28.41 122.00 148.65 -100.72 149.56 93.10 6.59 0.31 72.69 17.93 1.82 0.06 0.23 0.00 7.00 0.27 41 Q E E 73.55 11.65 21.91 33.39 118.69 -114.29 -91.79 139.53 28.94 70.95 0.11 25.67 1.67 0.26 0.02 0.07 0.00 72.12 0.20 42 V E E 5.48 23.81 17.62 42.02 123.97 -161.56 -118.88 135.59 3.06 96.93 0.01 2.85 0.16 0.01 0.00 0.00 0.00 96.95 0.03 43 L E E 40.58 11.34 26.01 38.23 116.57 -146.67 -103.76 126.12 0.24 99.76 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 44 I E E 5.92 24.35 18.33 43.21 119.74 -166.12 -114.00 128.18 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 45 N E E 54.26 8.75 24.07 33.52 112.95 -152.01 -102.74 119.89 2.79 97.20 0.01 2.53 0.09 0.01 0.00 0.00 0.00 97.32 0.05 46 C E E 14.70 19.39 12.71 31.88 122.64 -164.34 -96.18 166.13 45.61 53.97 0.43 41.61 2.28 0.45 0.07 0.31 0.00 54.74 0.53 47 R C T 125.23 7.36 16.33 24.28 103.33 -84.82 -65.39 140.00 71.70 12.08 16.22 5.12 15.03 52.26 0.47 15.93 0.00 10.16 1.03 48 N C T 110.36 3.31 15.90 19.98 95.74 23.27 -4.39 18.92 84.38 0.45 15.17 2.22 12.27 67.74 0.30 17.02 0.00 0.27 0.18 49 N C T 110.16 4.92 15.34 21.60 94.30 -94.02 68.12 19.69 84.44 1.65 13.91 10.53 33.64 39.46 0.43 14.46 0.00 1.02 0.46 50 K C C 74.44 10.06 15.80 27.12 118.99 139.72 -87.66 142.93 55.64 44.17 0.19 49.93 2.75 0.81 0.03 0.15 0.00 45.77 0.57 51 K E E 78.17 13.41 19.92 33.30 126.32 -156.51 -119.31 139.90 3.56 96.44 0.00 3.08 0.24 0.01 0.00 0.00 0.00 96.61 0.06 52 L E E 8.05 22.50 19.71 42.27 126.23 -168.55 -123.10 139.10 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 53 L E E 33.90 13.78 26.30 40.43 117.38 -142.63 -102.97 129.74 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 54 A E E 3.45 23.07 21.07 44.11 142.37 153.05 -152.17 167.67 0.77 99.23 0.00 0.65 0.05 0.00 0.00 0.00 0.00 99.30 0.00 55 R E E 73.82 10.54 27.08 38.67 120.02 -107.89 -108.72 134.13 1.10 98.90 0.00 0.99 0.04 0.00 0.00 0.00 0.00 98.95 0.02 56 V E E 5.41 25.03 15.93 41.99 110.76 -118.54 -76.49 126.16 1.99 98.00 0.01 1.92 0.05 0.00 0.00 0.00 0.00 97.98 0.04 57 K E E 89.38 7.56 24.03 32.23 99.84 176.77 -94.86 -30.51 4.29 95.69 0.02 2.58 1.32 0.10 0.00 0.02 0.00 95.97 0.02 58 A E E 33.63 8.19 25.02 34.27 142.82 -4.90 -160.70 156.52 1.67 98.32 0.01 1.16 0.27 0.05 0.00 0.01 0.00 98.49 0.02 59 F E E 44.45 22.26 12.87 33.98 133.48 -166.57 -139.95 147.13 1.82 98.17 0.01 1.70 0.12 0.00 0.00 0.00 0.00 96.46 1.72 60 D C C 54.85 6.94 19.46 27.07 128.15 -146.29 -96.70 174.58 89.99 9.98 0.03 90.07 0.48 0.08 0.00 0.01 0.00 8.95 0.40 61 R C T 162.32 4.71 16.90 23.05 91.64 -87.34 -64.77 -22.81 99.18 0.07 0.75 0.18 3.70 95.29 0.01 0.77 0.00 0.03 0.02 62 H C T 103.93 6.30 18.66 25.80 95.05 51.08 -93.94 1.76 99.19 0.04 0.77 0.21 3.80 95.14 0.01 0.80 0.00 0.02 0.01 63 S C S 15.80 19.06 16.04 35.00 94.70 -108.99 72.97 22.24 98.20 0.86 0.94 31.01 54.16 12.77 0.08 1.12 0.00 0.45 0.41 64 N C C 39.37 10.54 23.25 34.92 115.44 147.32 -79.22 138.16 93.95 6.01 0.04 87.31 5.61 0.84 0.01 0.03 0.00 5.72 0.49 65 M E E 10.05 23.88 18.58 42.50 121.82 -150.98 -110.92 133.58 1.59 98.41 0.00 1.52 0.05 0.00 0.00 0.00 0.00 98.26 0.17 66 V E E 26.50 12.74 26.42 39.99 121.89 -167.30 -119.05 130.74 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.01 67 L E E 8.59 23.95 18.33 42.55 116.14 -155.44 -104.81 125.39 0.24 99.76 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 68 E E E 66.65 9.12 23.10 32.55 128.75 -172.76 -118.60 155.57 3.19 96.71 0.10 1.81 0.75 0.41 0.00 0.12 0.00 96.88 0.02 69 N E E 90.74 4.52 23.82 28.85 93.84 11.08 59.68 44.83 5.08 94.86 0.06 2.57 1.66 0.34 0.00 0.07 0.00 95.34 0.01 70 V E E 12.73 23.52 12.55 35.84 116.91 -173.07 -83.71 135.28 3.58 96.42 0.00 3.55 0.06 0.00 0.00 0.00 0.00 96.37 0.01 71 K E E 85.61 7.79 24.70 32.79 124.46 -167.30 -119.78 139.27 1.03 98.97 0.00 0.87 0.05 0.00 0.00 0.00 0.00 99.05 0.02 72 E E E 48.91 17.07 17.47 34.15 121.92 -148.69 -109.63 134.13 0.99 99.01 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.11 0.01 73 M E E 51.49 11.04 19.19 31.46 122.24 -167.48 -116.72 134.68 3.44 96.54 0.01 3.06 0.17 0.02 0.00 0.01 0.00 96.67 0.07 74 W E E 73.03 12.79 15.70 29.52 124.96 -161.83 -117.81 142.68 11.03 88.87 0.10 9.66 1.00 0.16 0.03 0.06 0.00 88.50 0.59 75 T E E 50.82 10.18 15.12 26.58 120.92 -156.34 -110.52 136.99 34.07 65.50 0.43 28.72 4.56 0.76 0.12 0.29 0.00 64.29 1.25 76 E C C 101.89 6.28 14.88 22.51 118.36 -141.21 -100.86 136.36 54.84 44.32 0.84 43.24 10.36 1.52 0.21 0.56 0.00 42.71 1.40 77 K C C 116.32 6.52 12.39 20.55 114.86 -127.85 -89.79 133.94 67.30 31.94 0.76 57.10 8.13 1.15 0.21 0.51 0.00 31.62 1.30 78 K C C 105.50 6.43 11.21 19.38 116.74 -138.84 -89.53 142.30 67.12 32.10 0.78 57.71 6.79 1.23 0.20 0.52 0.00 32.50 1.05 79 R E B 148.63 3.58 10.77 16.38 119.45 -138.11 -102.88 136.39 20.78 78.73 0.49 17.44 1.60 0.22 0.46 0.14 0.00 31.02 49.12 80 T C C 54.05 6.16 7.87 16.05 122.86 -134.95 -82.95 169.48 91.09 8.63 0.29 89.87 1.43 0.41 0.09 0.14 0.00 6.33 1.72 81 A C T 103.48 0.59 8.92 9.61 91.27 -93.86 -63.46 -25.17 96.36 2.11 1.53 3.95 9.46 82.91 0.16 1.43 0.00 1.73 0.35 82 S C T 95.01 0.58 9.34 9.43 94.04 54.21 -86.29 0.14 98.36 0.20 1.43 1.64 8.00 88.69 0.11 1.37 0.00 0.13 0.06 83 G C S 52.96 2.43 9.61 13.63 97.23 -103.41 84.21 5.40 97.80 1.04 1.16 16.63 77.78 3.69 0.13 0.82 0.00 0.55 0.41 84 K C C 122.22 2.43 10.75 14.94 118.39 133.09 -84.64 144.66 95.06 4.57 0.37 82.44 11.59 1.13 0.12 0.25 0.00 2.89 1.57 85 K E B 136.15 4.02 11.87 17.98 115.26 -111.10 -78.54 139.85 23.93 75.18 0.89 18.55 2.59 0.56 0.67 0.32 0.01 27.44 49.85 86 G C C 25.19 11.65 9.26 21.44 123.34 -139.79 -92.14 167.20 77.73 21.57 0.70 62.56 11.69 2.23 0.13 0.66 0.00 21.50 1.24 87 K C C 146.16 1.97 17.14 19.29 118.71 -99.47 -94.96 141.85 69.06 30.44 0.50 52.95 14.57 1.39 0.09 0.45 0.00 29.25 1.30 88 A C C 60.38 9.89 12.05 22.89 113.89 -106.69 -67.96 141.71 62.79 36.77 0.44 57.83 3.22 0.66 0.12 0.33 0.00 35.54 2.30 89 I E E 66.98 9.54 11.84 22.90 118.01 -151.18 -104.87 134.89 47.87 51.76 0.37 41.37 4.77 0.87 0.11 0.29 0.00 49.78 2.79 90 N E E 110.53 4.35 13.80 19.86 109.15 -135.75 -91.84 114.37 42.78 56.91 0.31 34.77 6.39 1.14 0.06 0.27 0.00 56.16 1.20 91 K E E 99.89 7.45 12.87 21.85 126.43 164.39 -124.45 143.61 37.76 61.94 0.30 29.84 6.95 1.02 0.06 0.25 0.00 61.03 0.85 92 D E E 93.70 6.55 14.18 22.43 115.94 -145.05 -98.23 128.16 28.89 70.91 0.20 23.89 4.35 0.63 0.04 0.17 0.00 70.13 0.81 93 R E E 88.50 11.18 15.33 27.29 128.23 150.46 -130.02 143.97 18.59 81.29 0.12 16.70 1.60 0.21 0.03 0.09 0.00 80.36 1.01 94 F E E 101.92 8.89 19.48 28.96 117.65 -130.78 -96.68 132.94 17.40 82.54 0.06 16.13 1.04 0.09 0.02 0.04 0.00 79.61 3.05 95 I E E 17.62 21.00 13.81 34.70 118.24 -161.22 -108.87 127.62 32.22 67.67 0.11 31.76 0.56 0.06 0.03 0.06 0.00 66.94 0.59 96 S E E 50.95 7.11 22.24 30.06 97.26 -168.26 -81.54 -33.70 44.97 54.91 0.11 23.69 19.20 0.81 0.01 0.11 0.00 56.00 0.18 97 K E E 72.74 10.17 23.01 33.62 134.12 12.93 -142.22 143.80 9.55 90.25 0.20 7.12 1.76 0.35 0.03 0.14 0.00 90.50 0.11 98 M E E 17.84 23.06 18.15 40.73 128.24 -170.57 -130.81 137.98 1.53 98.43 0.04 1.34 0.14 0.02 0.01 0.02 0.00 98.45 0.03 99 F E E 41.02 13.18 25.75 39.50 119.82 -160.06 -113.02 129.26 0.31 99.68 0.01 0.26 0.02 0.00 0.00 0.00 0.00 99.70 0.01 100 L E E 20.62 21.60 18.94 40.24 119.80 -162.00 -110.01 130.05 2.64 97.35 0.01 2.21 0.16 0.02 0.00 0.01 0.00 97.55 0.05 101 R E E 91.28 10.35 22.46 32.83 118.37 -175.24 -121.84 116.23 31.14 68.66 0.19 25.63 3.94 0.89 0.03 0.16 0.00 68.82 0.52 102 G C T 30.99 8.71 21.26 30.38 113.93 -43.19 64.71 -140.00 93.53 3.88 2.59 2.97 30.57 60.09 0.06 2.78 0.00 3.18 0.36 103 D C T 86.89 9.13 20.42 29.97 97.55 -18.70 -90.43 9.31 95.44 1.92 2.64 3.56 29.09 62.32 0.09 3.07 0.00 1.63 0.25 104 G E E 13.95 16.07 20.78 36.67 124.85 93.10 -101.03 151.54 35.76 62.82 1.42 18.07 13.45 7.25 0.14 1.42 0.00 58.74 0.92 105 V E E 17.79 21.82 19.47 40.77 117.41 -137.39 -109.97 125.69 5.40 94.56 0.04 4.98 0.29 0.03 0.02 0.02 0.00 94.48 0.19 106 V E E 38.01 15.15 23.66 38.16 103.82 176.62 -100.52 -24.72 2.70 97.26 0.03 2.23 0.22 0.03 0.01 0.01 0.00 97.48 0.03 107 L E E 50.04 12.17 24.72 37.02 130.05 4.39 -143.39 136.04 1.05 98.93 0.02 0.93 0.06 0.01 0.00 0.00 0.00 98.99 0.01 108 V E E 23.32 20.90 18.38 38.84 120.02 -163.95 -117.03 125.90 1.65 98.32 0.03 1.65 0.05 0.01 0.01 0.00 0.00 98.23 0.05 109 V E E 43.51 10.95 21.05 32.94 122.33 -169.63 -115.04 135.37 9.95 90.01 0.05 9.40 0.42 0.05 0.02 0.02 0.00 89.77 0.32 110 R E E 106.63 11.64 17.30 29.04 113.82 -141.03 -88.61 132.54 47.88 52.02 0.10 37.11 9.71 0.51 0.02 0.09 0.00 51.81 0.75 111 I C C 80.99 8.72 14.23 24.17 116.22 -142.54 -105.34 127.16 87.55 12.28 0.18 62.08 23.93 1.14 0.03 0.18 0.00 11.99 0.64 112 P C C 74.81 7.49 11.70 20.68 112.37 -114.80 -67.65 147.38 93.67 5.05 1.28 70.46 12.06 10.71 0.17 1.41 0.00 4.46 0.73 113 S C C 83.53 3.33 10.32 15.50 106.17 -121.29 -81.16 90.48 96.00 2.59 1.41 84.45 2.74 8.99 0.27 1.00 0.00 1.71 0.85 114 A C C 83.37 2.96 11.98 16.22 104.60 40.49 -81.68 25.17 99.92 0.07 0.01 99.81 0.09 0.05 0.00 0.00 0.00 0.03 0.01