# 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 35.60 20.34 14.47 33.74 121.84 -162.55 -100.99 137.58 99.83 0.17 0.00 99.84 0.04 0.00 0.00 0.00 0.00 0.11 0.00 1 R E E 130.09 4.65 22.60 27.62 117.12 -149.12 -98.22 131.15 26.24 73.73 0.02 26.40 0.27 0.06 0.00 0.01 0.00 72.39 0.86 2 I E E 32.20 22.22 11.04 32.23 119.99 -153.20 -105.77 130.65 9.25 90.74 0.01 8.72 0.34 0.02 0.00 0.01 0.00 90.83 0.08 3 E E E 95.36 4.47 22.85 27.61 120.92 -167.61 -119.87 131.24 1.28 98.71 0.01 1.24 0.04 0.00 0.00 0.00 0.00 98.67 0.03 4 V E E 56.97 15.30 13.34 28.73 110.77 -131.33 -82.38 121.39 0.67 99.33 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.31 0.01 5 I E E 78.65 6.95 17.03 25.52 101.55 176.23 -94.38 -35.26 1.66 98.33 0.01 1.29 0.19 0.02 0.00 0.01 0.00 98.48 0.02 6 R E E 116.51 4.37 19.60 24.97 134.80 0.73 -149.10 144.45 1.83 98.16 0.02 1.46 0.23 0.03 0.00 0.01 0.00 98.23 0.03 7 R E E 118.09 13.31 11.62 25.04 122.79 -170.35 -132.45 125.66 13.93 85.99 0.08 11.69 1.63 0.23 0.02 0.05 0.00 86.18 0.21 8 E C C 90.98 3.04 17.24 20.83 130.05 164.72 -130.26 170.67 65.16 34.69 0.15 54.38 8.27 0.99 0.03 0.13 0.00 35.52 0.68 9 E C S 147.77 2.37 15.77 19.14 93.13 -85.18 -61.16 -34.70 99.17 0.55 0.28 2.91 53.98 42.37 0.02 0.24 0.00 0.41 0.07 10 N C S 72.55 11.57 14.60 26.48 102.68 18.73 -110.75 5.89 98.88 0.89 0.23 2.92 52.15 43.90 0.01 0.21 0.00 0.72 0.09 11 L E E 38.99 11.91 18.92 32.12 137.04 52.56 -141.93 153.34 22.40 77.56 0.04 17.99 3.71 0.22 0.00 0.03 0.00 77.43 0.62 12 L E E 7.19 21.81 17.18 39.68 127.08 -164.15 -125.68 139.67 2.05 97.95 0.00 1.86 0.05 0.00 0.00 0.00 0.00 98.05 0.03 13 E E E 41.82 10.53 25.62 37.32 117.46 -151.93 -109.24 127.38 0.33 99.67 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 14 F E E 6.41 24.48 18.45 43.35 122.33 -169.56 -118.05 133.99 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 15 Y E E 60.48 10.08 26.28 37.22 118.09 -158.78 -110.76 125.81 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 16 L E E 6.93 23.73 15.69 39.95 118.23 -164.62 -110.27 126.41 1.06 98.94 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.94 0.03 17 E E E 98.46 6.68 21.62 28.84 118.22 -157.04 -98.18 136.54 31.97 67.81 0.22 9.57 10.16 13.07 0.02 0.20 0.00 66.67 0.30 18 G C S 50.37 3.10 21.33 24.54 97.54 17.06 80.58 2.83 92.12 7.68 0.19 9.13 55.19 27.33 0.01 0.20 0.00 7.82 0.32 19 E C C 50.12 19.36 10.92 28.73 118.11 127.21 -93.90 137.74 96.26 2.62 1.11 88.41 6.46 1.63 0.47 0.51 0.00 1.73 0.80 20 D C C 77.89 5.16 20.35 25.92 123.68 -141.21 -110.15 168.89 91.51 0.93 7.56 71.50 14.57 4.72 7.14 0.95 0.00 0.27 0.85 21 H H H 114.52 9.62 16.63 26.65 94.16 -83.07 -67.60 -29.07 41.60 0.31 58.09 8.42 15.41 17.12 57.24 1.49 0.04 0.09 0.20 22 T H H 69.48 5.39 21.59 27.13 92.75 58.17 -65.24 -40.78 16.30 0.10 83.60 3.31 3.63 9.65 82.15 1.11 0.04 0.03 0.07 23 F H H 21.45 20.56 19.39 39.17 92.26 50.49 -64.94 -42.67 3.06 0.02 96.92 0.67 0.46 1.76 96.50 0.60 0.01 0.01 0.00 24 A H H 5.72 22.76 18.85 41.36 91.36 51.32 -63.33 -41.85 1.15 0.00 98.85 0.26 0.12 0.59 98.72 0.31 0.00 0.00 0.00 25 N H H 73.29 5.82 25.80 31.99 91.36 51.43 -64.55 -40.74 0.56 0.00 99.44 0.10 0.04 0.29 99.44 0.13 0.00 0.00 0.00 26 L H H 35.39 11.85 24.07 36.54 91.44 50.91 -63.91 -42.71 0.32 0.00 99.68 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 27 L H H 1.62 27.10 20.66 48.08 91.26 49.39 -63.97 -43.03 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 28 T H H 31.72 17.56 22.45 38.84 91.35 51.22 -62.40 -42.76 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 29 E H H 99.11 3.64 26.20 29.47 91.86 49.79 -64.30 -42.22 0.13 0.00 99.87 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 30 T H H 23.68 13.64 21.35 35.50 92.09 48.90 -65.25 -42.17 0.35 0.00 99.65 0.02 0.01 0.26 99.52 0.18 0.00 0.00 0.00 31 L H H 3.39 25.86 15.25 41.51 91.41 50.16 -64.58 -40.33 1.40 0.00 98.60 0.04 0.05 1.26 97.86 0.77 0.00 0.00 0.00 32 H H H 90.65 10.87 18.68 29.73 91.66 54.02 -68.76 -27.37 20.96 0.01 79.03 0.37 0.44 20.68 77.38 1.10 0.01 0.00 0.01 33 E C T 135.36 2.23 20.65 22.52 93.19 56.45 -81.29 -12.58 62.97 0.05 36.98 1.27 1.94 58.69 36.77 1.27 0.01 0.01 0.04 34 N C C 31.87 18.41 9.40 27.05 112.20 96.88 -83.08 125.14 98.15 0.70 1.15 63.04 33.22 1.75 0.81 0.32 0.00 0.19 0.67 35 E C T 158.35 1.25 19.21 19.88 92.52 -149.37 -70.86 -19.51 99.35 0.05 0.60 0.38 4.91 94.23 0.06 0.38 0.00 0.02 0.02 36 H C T 70.03 12.56 16.03 29.10 93.79 58.86 -86.23 -9.63 99.76 0.07 0.17 0.65 4.14 95.00 0.01 0.15 0.00 0.05 0.01 37 V E E 7.18 25.00 10.38 35.23 114.77 88.85 -94.96 124.07 19.65 80.34 0.01 18.32 1.10 0.03 0.00 0.01 0.00 79.50 1.05 38 T E E 71.25 5.43 23.42 29.53 99.37 178.02 -94.08 -31.34 25.15 74.85 0.00 16.25 7.81 0.10 0.00 0.01 0.00 75.73 0.10 39 F E E 74.47 9.13 24.56 34.31 140.99 4.37 -155.38 151.14 0.88 99.11 0.00 0.67 0.09 0.01 0.00 0.00 0.00 99.21 0.02 40 A E E 13.87 23.50 16.02 38.83 131.97 -172.12 -138.00 144.03 0.63 99.37 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.39 0.01 41 G E E 17.58 12.20 23.55 36.06 142.00 168.77 -153.26 167.97 0.94 99.06 0.00 0.83 0.05 0.00 0.00 0.00 0.00 99.10 0.02 42 Y E E 51.00 18.57 17.58 35.59 132.74 -149.24 -138.16 148.42 4.32 95.66 0.01 3.96 0.22 0.02 0.00 0.00 0.00 95.64 0.15 43 T E E 68.45 8.46 20.06 29.20 117.52 -143.60 -109.81 127.32 26.56 73.27 0.16 23.09 3.19 0.31 0.06 0.10 0.00 72.33 0.92 44 I C C 52.59 14.21 13.10 27.78 122.05 -170.37 -115.74 133.59 61.24 37.93 0.83 51.77 7.38 1.01 0.32 0.50 0.00 37.28 1.75 45 E C C 120.57 3.74 16.00 20.88 114.00 -130.37 -85.38 134.70 82.96 15.19 1.85 66.87 13.02 2.62 0.79 1.08 0.00 13.95 1.67 46 H C C 88.34 8.85 10.00 20.03 113.85 -117.94 -88.45 133.34 80.95 4.17 14.88 49.69 17.95 13.66 5.90 8.69 0.01 2.34 1.75 47 P C T 89.40 3.87 11.94 17.07 97.52 -60.30 -70.25 -17.23 74.17 1.22 24.61 23.28 14.96 36.64 9.43 14.33 0.01 0.61 0.75 48 I C T 107.45 4.23 10.50 16.03 99.45 62.31 -81.11 -17.75 69.21 2.57 28.22 19.39 16.61 34.18 11.27 15.67 0.06 1.27 1.55 49 T C C 80.19 5.15 10.35 16.97 104.44 53.86 -86.83 5.08 72.92 3.38 23.70 34.50 18.69 20.97 11.38 10.92 0.03 1.53 1.97 50 M C C 119.31 4.09 11.47 17.01 103.24 48.72 -80.92 8.06 88.49 1.57 9.94 55.69 14.21 18.83 4.73 4.93 0.00 0.82 0.79 51 A C C 65.94 5.61 11.66 18.79 104.90 71.25 -79.50 62.16 92.62 2.38 5.01 62.59 14.66 15.55 1.30 3.58 0.00 1.54 0.79 52 R C C 129.16 6.70 14.02 21.94 110.24 114.50 -92.41 116.99 86.46 10.63 2.91 64.07 16.77 5.42 0.74 2.25 0.00 8.33 2.42 53 K C C 106.02 7.87 18.51 27.04 113.40 -125.15 -100.66 112.34 84.18 15.54 0.28 71.69 11.12 0.84 0.07 0.22 0.00 14.81 1.24 54 P C C 14.09 21.11 13.98 35.01 117.17 -136.84 -73.66 145.71 76.83 23.13 0.04 74.57 1.66 0.11 0.01 0.03 0.00 23.08 0.54 55 R E E 82.65 10.08 24.53 34.99 120.22 -152.73 -112.28 130.52 5.09 94.91 0.01 4.67 0.30 0.01 0.00 0.00 0.00 94.66 0.35 56 F E E 10.35 24.09 17.80 42.08 121.53 -164.68 -115.15 130.16 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 57 K E E 54.24 10.87 26.36 37.91 118.52 -162.52 -110.75 126.44 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 58 V E E 4.13 25.17 18.69 44.61 119.86 -166.39 -114.59 127.75 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 59 V E E 41.81 9.84 26.51 37.20 119.73 -163.17 -111.36 130.73 1.60 98.40 0.00 1.55 0.03 0.00 0.00 0.00 0.00 98.38 0.04 60 T E E 11.48 21.94 13.43 35.13 130.86 -174.46 -128.31 153.24 31.69 68.27 0.03 30.37 0.79 0.06 0.01 0.02 0.00 68.12 0.63 61 D C C 87.07 5.06 20.26 25.69 105.27 -139.60 -100.56 56.97 83.21 16.56 0.22 61.28 19.47 2.17 0.04 0.23 0.00 15.10 1.71 62 G C S 49.04 5.13 15.45 21.64 100.60 -79.55 76.46 -20.21 98.43 0.99 0.58 4.07 59.37 35.22 0.04 0.49 0.00 0.59 0.21 63 K C S 167.33 0.99 17.49 17.09 98.12 42.56 -90.02 -15.92 98.97 0.52 0.51 8.64 56.64 33.77 0.04 0.46 0.00 0.30 0.15 64 I C S 50.41 12.16 11.90 25.28 125.97 58.88 -114.22 145.03 97.38 2.37 0.25 25.63 71.20 0.90 0.09 0.09 0.00 0.80 1.29 65 T C C 64.32 5.10 23.24 28.15 116.34 -122.85 -81.68 143.51 99.70 0.19 0.12 98.65 1.06 0.06 0.09 0.01 0.00 0.07 0.07 66 P H H 10.49 24.06 13.57 37.89 91.12 -123.18 -58.74 -37.84 3.40 0.01 96.59 0.79 0.39 1.96 95.92 0.93 0.00 0.00 0.00 67 E H H 84.65 12.02 21.80 33.36 91.60 54.32 -62.89 -40.95 1.15 0.00 98.84 0.16 0.09 0.73 98.30 0.71 0.00 0.00 0.00 68 K H H 110.93 2.75 26.27 28.11 91.52 48.66 -65.37 -40.76 0.29 0.00 99.71 0.05 0.02 0.16 99.26 0.50 0.00 0.00 0.00 69 A H H 6.13 18.14 19.40 38.46 91.33 50.39 -63.30 -43.49 0.13 0.00 99.87 0.02 0.01 0.07 99.81 0.09 0.00 0.00 0.00 70 L H H 4.74 25.29 19.71 44.79 91.52 49.52 -64.07 -42.94 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 71 E H H 84.63 8.45 24.75 33.37 91.41 50.29 -63.14 -42.64 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 72 E H H 97.31 3.30 26.89 29.65 91.46 48.80 -64.23 -42.02 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 73 A H H 5.65 18.72 20.15 39.63 91.58 49.96 -63.27 -43.43 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 74 A H H 10.12 20.29 20.12 40.09 91.54 50.56 -63.01 -42.19 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 75 Q H H 100.63 3.19 25.22 27.94 91.36 50.40 -64.24 -41.64 0.22 0.00 99.78 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 76 K H H 95.96 4.99 23.67 28.69 91.69 49.14 -65.10 -41.28 0.32 0.00 99.68 0.03 0.01 0.21 99.71 0.03 0.00 0.00 0.00 77 I H H 11.06 20.89 17.74 38.60 91.84 49.86 -64.36 -43.08 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 78 F H H 72.36 12.27 19.91 32.23 91.59 50.79 -62.96 -42.02 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 79 D H H 84.29 1.88 23.24 23.09 91.57 49.81 -64.29 -41.76 0.31 0.00 99.69 0.04 0.01 0.19 99.71 0.04 0.00 0.00 0.00 80 R H H 95.54 7.50 20.39 28.49 92.03 48.80 -65.46 -40.58 0.35 0.00 99.65 0.04 0.02 0.23 99.66 0.05 0.00 0.00 0.00 81 A H H 14.83 17.68 15.20 33.18 92.05 51.48 -64.27 -41.33 0.39 0.00 99.61 0.06 0.02 0.23 99.62 0.07 0.00 0.00 0.00 82 R H H 130.45 3.64 20.22 24.23 91.51 50.98 -63.89 -40.55 0.42 0.00 99.58 0.05 0.02 0.27 99.58 0.08 0.00 0.00 0.00 83 E H H 104.61 2.14 20.41 21.38 91.78 50.12 -64.83 -41.60 0.49 0.00 99.50 0.06 0.03 0.32 99.50 0.10 0.00 0.00 0.00 84 V H H 41.79 10.50 16.85 28.49 92.26 49.62 -64.90 -42.37 0.46 0.00 99.54 0.07 0.03 0.26 99.52 0.11 0.00 0.00 0.00 85 L H H 60.63 9.53 16.30 26.88 91.79 51.03 -63.62 -41.30 0.40 0.00 99.60 0.07 0.02 0.22 99.59 0.10 0.00 0.00 0.00 86 E H H 112.60 1.74 19.11 19.58 91.89 50.45 -64.51 -40.71 0.54 0.00 99.46 0.09 0.03 0.31 99.43 0.13 0.00 0.00 0.00 87 A H H 52.93 3.57 16.52 20.85 92.05 50.62 -64.80 -40.49 0.82 0.00 99.18 0.14 0.06 0.49 99.10 0.22 0.00 0.00 0.00 88 W H H 87.71 9.44 13.17 23.79 92.69 49.82 -66.09 -40.55 1.31 0.01 98.68 0.32 0.13 0.73 98.38 0.43 0.00 0.00 0.00 89 K H H 116.69 3.53 14.52 19.13 91.80 52.04 -64.32 -38.81 2.67 0.02 97.31 0.62 0.25 1.60 96.73 0.79 0.00 0.01 0.00 90 A H H 71.59 1.47 13.91 15.02 92.44 52.67 -66.62 -36.22 8.52 0.03 91.45 1.16 0.66 6.39 89.93 1.82 0.01 0.01 0.02 91 A H H 64.89 3.91 10.97 16.29 93.96 53.63 -71.70 -29.21 22.78 0.09 77.13 2.89 1.78 17.86 75.54 1.84 0.01 0.03 0.05 92 I C H 101.04 5.02 8.63 15.15 99.60 52.54 -85.68 -8.18 51.04 0.40 48.56 21.73 1.71 26.30 48.05 1.78 0.00 0.15 0.28 93 E C C 142.25 2.23 11.92 15.51 103.88 88.74 -75.94 57.13 99.94 0.03 0.02 99.86 0.06 0.04 0.01 0.00 0.00 0.02 0.00