# 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 A C C 60.62 8.94 11.85 21.72 117.37 -153.57 -91.72 138.79 99.88 0.10 0.02 99.78 0.11 0.04 0.01 0.00 0.00 0.05 0.01 1 T C C 99.92 3.11 12.65 17.50 114.68 -154.22 -99.86 130.03 96.04 2.80 1.16 92.83 1.28 2.26 0.49 0.45 0.00 1.38 1.32 2 I C C 95.73 8.04 10.16 19.56 115.91 -149.12 -96.44 128.91 95.02 3.53 1.45 74.28 16.21 4.42 0.50 0.97 0.00 1.90 1.72 3 T C C 76.76 7.52 12.64 21.49 112.94 -159.16 -94.19 129.58 97.47 1.38 1.14 74.13 20.77 2.60 0.40 0.67 0.00 0.69 0.75 4 D C C 72.87 6.19 17.39 24.47 111.29 -122.07 -99.89 112.17 99.20 0.45 0.35 86.29 12.54 0.40 0.20 0.11 0.00 0.16 0.29 5 P H G 40.59 18.02 12.66 30.55 92.27 -149.72 -61.48 -26.22 19.77 0.26 79.97 3.51 2.23 13.20 14.93 65.88 0.00 0.18 0.07 6 R H G 118.30 10.45 18.24 28.95 91.36 66.04 -69.52 -17.94 16.26 0.30 83.44 1.94 1.82 11.92 16.58 67.46 0.00 0.22 0.06 7 D H G 72.60 8.01 20.68 29.19 94.15 60.69 -80.90 -12.37 15.05 0.97 83.98 4.44 3.07 8.21 15.54 67.83 0.01 0.76 0.13 8 I H G 21.77 20.32 17.17 36.97 100.31 62.32 -88.66 -10.28 33.48 24.96 41.56 14.48 10.52 12.59 18.28 20.74 0.63 20.08 2.67 9 I E E 26.30 20.40 17.74 37.88 111.28 96.47 -88.52 119.82 15.21 81.01 3.78 12.08 2.49 1.04 3.40 1.23 0.02 65.75 13.99 10 L E E 66.67 12.70 21.96 34.14 101.07 172.43 -94.36 -26.62 30.02 68.97 1.01 22.33 7.83 0.90 0.72 0.41 0.00 65.69 2.12 11 A E E 38.82 10.98 23.84 35.08 136.58 1.37 -149.72 146.24 36.83 63.02 0.14 22.40 14.92 0.47 0.05 0.08 0.00 61.49 0.59 12 P E E 41.44 17.26 20.29 36.60 115.08 -105.20 -68.42 146.42 49.61 50.23 0.15 45.25 3.41 0.32 0.05 0.10 0.00 49.81 1.07 13 V C C 23.06 19.40 17.88 37.23 111.09 -124.77 -86.96 120.62 54.75 44.92 0.33 51.38 2.38 0.31 0.21 0.16 0.00 32.04 13.52 14 I C C 71.11 12.47 19.14 31.61 107.12 176.04 -106.86 1.28 89.01 10.70 0.29 77.72 10.94 0.61 0.14 0.16 0.00 8.35 2.07 15 S C S 38.71 7.41 17.61 26.22 133.46 80.78 -127.36 167.17 92.61 3.31 4.08 41.71 49.17 2.06 3.49 0.75 0.00 1.14 1.67 16 E H H 142.19 2.58 15.86 19.71 90.57 -100.09 -60.67 -35.44 27.41 0.43 72.17 3.61 5.61 17.58 53.73 18.77 0.25 0.22 0.23 17 K H H 132.33 3.12 17.36 21.33 92.02 55.36 -66.58 -32.03 25.11 0.46 74.43 3.31 3.39 16.79 52.98 22.86 0.20 0.27 0.19 18 S H H 12.41 19.46 11.64 30.68 94.37 48.62 -77.99 -25.53 19.44 0.86 79.71 5.11 3.02 10.42 54.15 26.35 0.12 0.58 0.24 19 Y H H 108.68 9.05 16.30 26.24 93.84 77.04 -63.20 -38.95 21.01 0.99 77.99 5.79 3.47 11.88 61.11 16.52 0.24 0.64 0.34 20 G H H 39.26 2.69 19.34 21.74 92.82 51.65 -64.30 -35.05 31.75 1.22 67.03 5.55 4.28 21.68 54.26 12.63 0.36 0.81 0.44 21 L H H 35.86 13.16 14.18 28.22 93.47 57.62 -69.76 -33.34 25.62 2.67 71.72 11.16 4.86 11.04 56.42 13.64 0.22 1.93 0.72 22 I H H 56.53 15.81 12.62 27.73 93.60 57.83 -66.50 -40.10 20.61 2.37 77.02 9.22 3.68 8.67 59.19 16.71 0.15 1.82 0.56 23 E H H 144.60 1.64 17.18 18.66 93.07 55.51 -68.32 -27.38 27.52 2.09 70.39 6.75 4.46 16.23 51.68 18.30 0.39 1.48 0.70 24 D C T 93.82 3.26 16.23 20.04 96.03 49.71 -90.51 2.88 70.75 0.44 28.81 3.44 8.05 58.63 16.96 12.27 0.04 0.22 0.38 25 N C T 89.30 9.73 16.34 26.80 94.87 -113.18 62.42 34.35 99.01 0.23 0.75 7.35 6.48 85.35 0.17 0.43 0.00 0.16 0.05 26 V C C 34.86 13.79 17.92 32.67 122.11 141.20 -106.96 137.82 58.10 41.82 0.08 52.71 4.00 0.21 0.02 0.06 0.00 41.77 1.23 27 Y E E 28.43 19.13 20.79 39.74 115.84 -136.39 -92.75 132.06 15.61 84.36 0.03 15.12 0.41 0.03 0.01 0.01 0.00 84.14 0.28 28 T E E 19.62 17.75 24.26 41.60 125.97 -166.53 -120.40 138.21 3.12 96.87 0.00 3.08 0.05 0.00 0.00 0.00 0.00 96.82 0.05 29 F E E 7.79 23.66 22.10 45.46 125.79 -168.65 -121.67 137.25 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 30 V E E 33.09 13.91 26.96 41.25 116.06 -147.73 -105.70 124.76 0.20 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 31 V E E 5.87 24.01 17.72 41.91 129.73 -176.36 -125.65 147.91 2.56 97.44 0.00 2.52 0.05 0.00 0.00 0.00 0.00 97.14 0.29 32 H C C 62.26 9.21 22.98 32.97 112.34 -106.35 -71.24 138.84 95.23 4.77 0.01 95.38 0.39 0.02 0.00 0.01 0.00 4.09 0.12 33 P C T 54.94 14.98 15.46 30.67 91.05 -125.44 -61.20 -25.59 99.11 0.33 0.55 0.59 3.24 95.39 0.02 0.51 0.00 0.21 0.05 34 D C T 113.63 1.65 21.34 22.33 92.89 58.73 -88.71 0.12 99.32 0.15 0.53 0.63 2.90 95.81 0.01 0.53 0.00 0.10 0.02 35 S C C 12.07 20.64 9.93 30.35 117.19 122.26 -69.05 144.29 98.84 0.96 0.20 78.50 20.16 0.23 0.05 0.14 0.00 0.37 0.54 36 N C C 77.25 3.74 24.08 26.95 125.10 -140.04 -94.78 165.36 93.79 6.02 0.19 92.65 0.76 0.06 0.13 0.02 0.00 0.83 5.55 37 K H H 87.57 15.74 14.62 29.74 91.14 -102.98 -58.85 -37.47 2.09 0.00 97.91 0.22 0.24 1.42 97.91 0.21 0.00 0.00 0.00 38 T H H 87.19 2.52 22.43 24.28 91.74 53.35 -64.30 -40.41 1.17 0.00 98.83 0.08 0.08 0.93 98.67 0.23 0.00 0.00 0.00 39 Q H H 63.40 10.30 20.89 31.57 91.96 49.36 -65.63 -40.54 0.22 0.00 99.78 0.03 0.02 0.14 99.71 0.11 0.00 0.00 0.00 40 I H H 1.57 27.29 15.97 44.21 91.06 49.68 -63.64 -43.51 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 41 K H H 75.46 14.19 22.51 35.62 91.25 51.74 -61.94 -42.31 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 42 I H H 80.26 3.52 26.13 29.19 91.60 49.66 -63.96 -42.39 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 43 A H H 6.42 17.79 20.85 39.43 91.52 50.12 -63.57 -43.50 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 44 I H H 2.06 26.66 17.82 45.07 91.60 48.92 -64.33 -43.01 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 45 E H H 80.15 10.49 20.28 30.86 91.97 51.23 -63.88 -40.98 0.07 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 46 K H H 125.33 3.32 22.33 25.66 92.80 48.41 -67.57 -39.25 0.32 0.00 99.68 0.01 0.01 0.29 99.64 0.06 0.00 0.00 0.00 47 I H H 32.81 17.34 17.53 34.37 98.17 38.76 -82.12 -39.18 1.42 0.00 98.58 0.03 0.05 1.35 98.50 0.08 0.00 0.00 0.00 48 F H H 21.88 20.20 15.04 35.22 103.65 25.78 -110.34 -1.63 13.71 0.07 86.22 0.94 1.95 10.32 86.44 0.25 0.03 0.02 0.05 49 D C T 112.11 2.46 21.86 24.37 95.10 -124.98 57.34 41.73 99.56 0.16 0.27 27.17 13.10 59.37 0.11 0.11 0.00 0.10 0.04 50 V C C 18.16 20.11 11.86 31.92 129.25 133.57 -120.83 147.60 94.74 5.21 0.05 77.14 17.49 0.31 0.01 0.03 0.00 4.54 0.47 51 K C C 125.34 3.19 24.45 27.46 112.62 -127.81 -91.74 126.57 85.67 14.30 0.02 85.04 0.75 0.06 0.00 0.01 0.00 13.85 0.29 52 V E E 21.08 23.43 10.47 33.08 114.03 -142.45 -87.03 125.66 20.36 79.60 0.05 21.40 0.28 0.03 0.01 0.03 0.00 77.29 0.97 53 D E E 89.44 3.51 21.52 25.28 98.81 -174.21 -89.63 -33.10 20.87 79.07 0.06 11.33 9.58 0.29 0.00 0.05 0.00 78.62 0.13 54 S E E 48.65 5.25 23.37 29.45 142.06 0.01 -158.14 155.18 3.08 96.90 0.02 2.35 0.44 0.05 0.00 0.01 0.00 97.11 0.04 55 V E E 32.04 22.92 12.04 33.81 126.91 -164.78 -134.50 133.74 1.31 98.69 0.00 1.14 0.06 0.00 0.00 0.00 0.00 98.76 0.02 56 N E E 72.12 5.76 24.96 30.91 126.67 -175.99 -126.94 141.07 1.77 98.23 0.00 1.44 0.11 0.01 0.00 0.00 0.00 98.41 0.02 57 T E E 43.69 19.82 13.60 32.20 126.37 -162.54 -122.26 138.63 2.69 97.31 0.00 2.50 0.08 0.01 0.00 0.00 0.00 97.36 0.06 58 A E E 40.36 8.85 19.34 29.36 125.72 -170.35 -122.90 140.30 4.40 95.58 0.02 3.85 0.36 0.03 0.01 0.01 0.00 95.45 0.29 59 N E E 84.59 10.35 15.32 26.56 117.59 -148.06 -103.30 128.77 10.77 89.18 0.04 8.91 1.84 0.15 0.01 0.03 0.00 88.67 0.40 60 R E E 92.96 9.82 14.08 25.20 124.15 -172.64 -119.11 139.86 34.28 65.58 0.14 30.83 2.54 0.29 0.03 0.10 0.00 64.84 1.35 61 Q C C 130.03 2.67 16.67 20.38 112.34 -116.28 -80.51 136.40 58.65 41.01 0.33 48.32 7.24 1.58 0.05 0.29 0.00 41.48 1.04 62 G C C 27.63 12.69 9.57 22.18 125.34 -131.10 -100.75 168.31 55.92 43.79 0.29 43.67 9.78 2.29 0.04 0.29 0.00 42.88 1.05 63 K E E 130.98 2.75 15.65 19.34 122.19 -95.35 -107.77 145.54 26.84 72.94 0.22 23.90 2.23 0.39 0.07 0.15 0.00 70.84 2.42 64 R E E 144.10 6.30 10.19 18.51 116.00 -124.03 -87.34 134.21 18.83 81.02 0.15 17.15 1.26 0.23 0.06 0.08 0.00 79.82 1.40 65 K E E 107.80 4.52 10.76 17.39 123.50 -170.85 -119.57 141.73 14.95 84.88 0.16 12.64 1.88 0.42 0.05 0.11 0.00 84.11 0.79 66 R E E 176.08 1.79 9.51 13.06 114.43 -129.76 -90.12 128.49 20.31 79.50 0.18 16.99 2.56 0.50 0.07 0.13 0.00 78.25 1.52 67 T C E 66.28 4.22 7.54 13.92 129.37 173.73 -125.40 168.24 51.24 48.38 0.38 44.31 4.30 1.15 0.11 0.29 0.00 48.40 1.44 68 R C T 208.90 0.30 9.23 8.37 92.66 -89.84 -63.89 -28.06 98.23 1.17 0.59 18.07 32.26 47.95 0.08 0.53 0.00 0.94 0.16 69 T C T 117.39 0.70 8.67 9.36 100.04 40.24 -97.57 0.35 98.39 1.05 0.57 15.04 31.85 51.49 0.06 0.57 0.00 0.84 0.15 70 G E E 36.89 2.24 12.31 15.66 135.11 -70.00 140.05 -175.37 45.55 54.23 0.23 30.97 13.77 2.43 0.04 0.24 0.00 51.19 1.37 71 F E E 143.64 3.78 9.60 15.54 121.18 -56.23 -102.10 143.15 24.64 75.28 0.08 21.23 2.23 0.44 0.02 0.07 0.00 74.79 1.22 72 G E E 32.05 4.72 12.98 19.53 136.05 161.76 -159.97 175.53 15.06 84.88 0.06 11.51 3.17 0.57 0.01 0.05 0.00 84.25 0.43 73 K E E 134.42 4.43 12.94 19.50 120.61 -86.05 -105.30 141.85 10.99 88.97 0.05 9.46 0.97 0.11 0.02 0.03 0.00 85.22 4.20 74 R E E 98.24 10.16 11.11 22.40 122.59 -155.19 -109.33 144.95 48.03 51.85 0.11 45.29 1.88 0.21 0.03 0.08 0.00 50.81 1.69 75 K C C 132.24 3.99 16.69 21.94 114.48 -112.19 -77.10 142.25 73.54 26.33 0.13 56.64 13.55 1.62 0.02 0.15 0.00 27.47 0.55 76 S C C 44.43 11.97 14.08 26.52 111.85 -120.76 -81.57 132.65 71.29 28.60 0.11 52.29 15.11 1.84 0.01 0.14 0.00 30.11 0.50 77 T E E 39.87 12.32 16.98 30.31 127.75 -173.01 -123.48 146.95 21.30 78.68 0.02 18.97 1.54 0.08 0.00 0.02 0.00 78.62 0.77 78 K E E 48.80 15.13 18.53 33.95 125.22 -156.95 -118.00 140.01 3.79 96.20 0.00 3.40 0.19 0.01 0.00 0.00 0.00 96.28 0.11 79 R E E 71.95 13.59 22.02 35.50 127.13 -159.21 -119.97 141.69 1.18 98.82 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.88 0.02 80 A E E 6.77 21.56 18.73 40.76 124.66 -160.51 -117.23 138.42 0.53 99.47 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.48 0.01 81 I E E 40.00 11.79 25.08 37.75 117.67 -154.84 -108.74 125.90 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 82 V E E 6.60 23.75 18.40 42.54 121.71 -168.03 -116.03 132.68 0.40 99.60 0.00 0.39 0.00 0.00 0.00 0.00 0.00 99.60 0.00 83 K E E 81.59 9.00 26.26 35.67 121.45 -160.93 -110.65 133.50 1.16 98.84 0.00 1.14 0.02 0.00 0.00 0.00 0.00 98.79 0.04 84 L E E 14.54 22.35 13.12 35.35 119.84 -142.85 -92.89 141.63 10.06 89.93 0.01 9.97 0.27 0.01 0.00 0.01 0.00 88.56 1.18 85 A C C 42.59 7.06 17.94 26.28 117.11 -111.33 -71.84 154.58 90.10 9.78 0.12 86.62 2.90 0.33 0.02 0.10 0.00 9.35 0.68 86 A C T 87.14 3.06 14.92 19.60 109.58 -87.50 -61.47 136.84 97.24 1.31 1.45 1.98 7.97 87.43 0.12 1.32 0.00 0.87 0.32 87 G C T 62.70 1.05 15.91 15.84 98.80 22.76 84.64 -3.79 97.94 0.79 1.27 3.61 7.56 86.64 0.09 1.35 0.00 0.60 0.15 88 S C C 38.47 15.52 9.35 24.06 117.55 128.50 -79.71 144.62 94.83 4.27 0.89 83.21 10.17 1.29 0.17 0.88 0.00 2.67 1.61 89 K C C 133.57 3.30 19.54 23.68 120.07 -143.97 -106.36 136.49 92.20 7.58 0.23 85.54 6.23 0.48 0.07 0.15 0.00 5.79 1.75 90 P C C 65.12 13.87 14.78 28.36 114.04 -108.61 -67.71 145.28 85.82 13.05 1.13 76.34 7.12 1.87 0.30 0.89 0.00 11.19 2.28 91 I C C 41.73 17.16 13.01 30.07 114.99 -124.19 -94.45 130.91 80.71 17.24 2.06 69.56 8.27 2.30 0.65 1.51 0.00 13.21 4.51 92 D C C 94.97 4.70 19.53 25.26 109.49 -138.93 -91.79 113.90 84.06 13.17 2.77 78.08 3.84 2.08 0.76 1.80 0.00 11.03 2.42 93 L C C 57.37 15.65 12.65 27.91 99.91 172.00 -88.47 -15.95 83.81 8.39 7.80 44.67 17.13 22.61 1.47 6.46 0.01 5.64 2.02 94 F C T 106.08 9.65 12.27 22.60 109.75 53.49 -99.49 71.90 84.54 8.28 7.18 31.74 19.29 34.59 1.38 5.57 0.01 5.23 2.18 95 G C C 52.14 3.44 12.41 17.45 110.28 -72.72 83.90 114.30 93.67 3.01 3.33 70.37 5.16 18.37 0.66 2.39 0.00 2.14 0.91 96 A C C 76.15 5.18 12.81 19.48 110.32 -89.58 -90.30 128.50 99.84 0.13 0.03 99.52 0.25 0.11 0.01 0.01 0.00 0.08 0.02