# 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 45.61 18.03 14.39 31.80 123.68 -161.14 -109.14 140.70 99.73 0.27 0.00 99.78 0.04 0.00 0.00 0.00 0.00 0.17 0.00 1 E E E 103.90 5.12 21.02 26.65 118.06 -154.50 -103.36 131.21 17.71 82.28 0.01 18.01 0.19 0.02 0.00 0.00 0.00 81.35 0.43 2 I E E 30.33 21.82 10.84 31.53 123.12 -166.11 -117.27 134.14 2.85 97.15 0.00 2.66 0.08 0.00 0.00 0.00 0.00 97.21 0.04 3 K E E 109.02 3.67 22.68 26.46 120.53 -164.23 -116.13 130.96 0.58 99.42 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.47 0.00 4 V E E 48.32 17.04 11.38 28.06 110.52 -131.68 -85.82 120.53 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 5 T E E 72.66 4.69 17.21 23.23 101.12 175.73 -95.12 -32.37 1.35 98.64 0.00 0.96 0.19 0.01 0.00 0.00 0.00 98.82 0.01 6 E E E 94.32 4.04 19.64 24.52 136.85 0.10 -152.58 150.31 0.55 99.45 0.00 0.41 0.05 0.00 0.00 0.00 0.00 99.53 0.00 7 I E E 79.44 15.01 11.60 26.22 123.12 -161.21 -126.82 128.88 0.83 99.17 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.22 0.01 8 R E E 114.87 4.76 17.79 23.87 125.15 -174.69 -128.01 138.86 1.05 98.94 0.00 0.89 0.05 0.00 0.00 0.00 0.00 99.04 0.01 9 E E E 120.53 5.54 13.76 21.31 115.45 -131.86 -90.16 130.36 3.36 96.63 0.01 2.91 0.21 0.02 0.00 0.00 0.00 96.78 0.07 10 N E E 35.60 12.51 9.01 22.72 109.47 -155.69 -103.33 107.26 27.38 72.57 0.05 26.34 0.69 0.08 0.02 0.03 0.00 72.17 0.68 11 K C T 161.85 1.21 13.31 14.97 93.65 -162.22 -66.32 -29.46 95.22 0.17 4.61 0.53 3.03 90.86 0.09 5.32 0.00 0.11 0.05 12 L C T 117.53 2.53 12.82 16.17 94.61 52.28 -71.01 -37.45 95.37 0.16 4.47 0.38 3.01 91.14 0.06 5.28 0.00 0.09 0.06 13 L C T 69.21 8.70 11.77 21.79 98.05 28.16 -99.17 -8.29 95.71 0.09 4.20 0.46 2.54 91.70 0.06 5.17 0.00 0.05 0.03 14 G C T 49.66 3.25 16.44 20.74 94.12 -124.26 63.70 33.30 99.64 0.14 0.22 9.18 3.99 86.53 0.04 0.15 0.00 0.10 0.02 15 R E E 59.64 12.74 12.96 26.73 132.60 125.05 -124.63 157.65 24.37 75.62 0.02 20.49 2.37 0.17 0.00 0.02 0.00 76.52 0.44 16 K E E 68.54 10.46 19.28 30.72 117.91 -118.19 -97.33 135.92 0.75 99.25 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.29 0.02 17 E E E 39.07 14.45 19.41 34.56 120.39 -150.64 -106.01 133.76 0.24 99.76 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.79 0.00 18 I E E 10.15 20.85 18.33 39.78 120.52 -163.10 -113.46 130.45 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 19 Y E E 66.53 10.84 24.71 36.16 119.55 -161.02 -111.33 128.18 0.09 99.91 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 20 F E E 10.00 22.96 17.19 40.32 129.45 -173.03 -125.39 145.99 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 21 D E E 45.53 9.25 25.78 35.84 117.89 -150.99 -110.93 126.75 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 22 V E E 6.29 23.74 16.55 40.81 119.68 -165.70 -115.58 127.91 0.70 99.30 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.31 0.02 23 L E E 64.46 7.71 24.20 32.42 116.38 -157.46 -106.13 125.02 8.54 91.45 0.01 7.49 0.65 0.04 0.00 0.01 0.00 91.60 0.22 24 H C C 36.07 18.00 12.25 29.88 114.52 -173.53 -114.69 112.24 55.91 43.99 0.10 51.43 2.84 0.29 0.02 0.08 0.00 44.10 1.24 25 E C T 133.66 3.07 15.96 20.24 107.81 -144.19 -74.96 118.93 90.53 9.00 0.48 22.58 22.52 45.93 0.05 0.50 0.00 7.63 0.78 26 G C S 61.97 1.29 14.89 16.06 99.50 -15.12 83.92 -3.01 98.48 1.24 0.28 4.64 48.29 45.70 0.01 0.31 0.00 0.87 0.19 27 E C S 105.62 5.43 13.08 20.38 123.65 99.38 -106.69 147.53 97.99 1.92 0.08 28.40 69.16 0.80 0.01 0.06 0.00 0.85 0.71 28 P C C 90.29 3.99 18.93 23.64 115.92 -98.53 -69.50 152.17 98.71 1.21 0.08 70.82 26.89 1.05 0.02 0.06 0.00 0.49 0.67 29 T C C 38.72 19.95 13.22 31.92 117.52 -102.87 -81.77 140.73 98.79 1.15 0.06 79.57 18.98 0.34 0.02 0.03 0.00 0.39 0.67 30 P C C 19.29 17.39 15.42 33.39 117.60 -107.36 -68.17 153.77 98.62 1.30 0.07 95.80 2.83 0.13 0.04 0.02 0.00 0.43 0.75 31 S C C 58.77 3.70 24.05 27.20 118.90 -104.43 -71.92 157.62 92.42 7.22 0.36 91.72 0.88 0.09 0.30 0.04 0.00 1.33 5.65 32 R H H 79.38 18.36 13.32 30.76 91.17 -111.68 -57.62 -39.68 1.49 0.00 98.51 0.30 0.23 0.79 98.37 0.31 0.00 0.00 0.00 33 E H H 130.93 2.55 20.74 23.69 91.46 53.63 -63.47 -39.51 0.53 0.00 99.47 0.07 0.04 0.34 99.22 0.33 0.00 0.00 0.00 34 A H H 50.08 4.75 21.74 26.67 91.65 50.01 -65.37 -40.86 0.34 0.00 99.66 0.05 0.02 0.22 99.25 0.46 0.00 0.00 0.00 35 V H H 3.37 24.32 16.10 40.80 91.73 49.40 -64.85 -43.31 0.40 0.00 99.60 0.05 0.02 0.26 99.55 0.12 0.00 0.00 0.00 36 K H H 49.68 18.41 19.99 37.12 91.38 52.27 -61.50 -42.65 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 37 G H H 38.74 3.16 24.61 27.07 91.71 50.25 -64.17 -42.20 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 38 K H H 86.23 7.85 23.51 31.45 92.08 48.58 -66.14 -40.93 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 39 L H H 3.26 24.89 16.82 42.11 91.83 49.18 -64.32 -43.31 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 V H H 24.08 14.24 17.35 32.54 91.45 50.52 -62.79 -42.59 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.04 0.00 0.00 0.00 41 A H H 78.72 1.34 21.78 21.06 91.74 50.17 -64.21 -40.48 0.25 0.00 99.75 0.01 0.01 0.21 99.67 0.10 0.00 0.00 0.00 42 M H H 84.48 9.32 17.44 27.37 91.98 49.28 -67.01 -36.12 1.27 0.00 98.73 0.02 0.03 1.21 98.59 0.15 0.00 0.00 0.00 43 L H H 30.47 17.29 12.52 29.86 97.50 37.95 -97.54 -0.12 27.33 0.01 72.65 0.43 1.02 25.41 72.59 0.53 0.01 0.00 0.01 44 D C T 131.84 0.69 19.47 17.92 93.32 -123.18 56.37 41.84 99.88 0.00 0.12 4.74 1.49 93.69 0.05 0.02 0.00 0.00 0.00 45 L C C 40.11 15.47 10.24 25.76 133.68 128.36 -128.46 161.22 99.85 0.13 0.01 76.65 23.10 0.08 0.01 0.00 0.00 0.03 0.13 46 D C C 93.43 2.58 22.43 23.94 109.51 -97.83 -73.97 129.33 99.93 0.06 0.01 99.69 0.25 0.01 0.00 0.00 0.00 0.02 0.02 47 P H G 55.98 17.36 12.20 28.81 91.98 -134.83 -60.67 -30.02 10.27 0.12 89.61 0.63 0.79 6.67 0.19 91.64 0.00 0.08 0.00 48 N H G 107.51 4.12 21.49 26.66 90.47 65.57 -70.76 -14.98 10.49 0.20 89.31 0.41 0.76 7.32 0.17 91.18 0.00 0.15 0.00 49 T H G 31.08 14.44 18.98 34.03 97.70 56.93 -98.01 -0.19 9.13 0.96 89.91 1.14 1.26 5.24 0.27 91.20 0.00 0.87 0.01 50 T E E 4.99 24.87 16.89 42.16 121.57 89.59 -108.02 133.29 2.86 97.13 0.01 2.48 0.35 0.01 0.00 0.00 0.00 96.75 0.40 51 V E E 27.63 13.42 26.92 40.83 119.46 -164.68 -114.49 128.06 1.29 98.70 0.00 1.12 0.07 0.01 0.00 0.00 0.00 98.77 0.03 52 I E E 18.61 22.25 18.18 40.29 110.89 -135.20 -84.42 120.01 0.81 99.18 0.01 0.76 0.02 0.00 0.00 0.00 0.00 99.19 0.02 53 Q E E 71.69 9.26 21.47 31.41 100.34 176.34 -92.77 -34.92 3.42 96.56 0.02 2.29 0.85 0.08 0.00 0.01 0.00 96.73 0.04 54 Y E E 99.92 5.75 24.46 30.95 139.92 -0.93 -155.79 150.63 2.05 97.94 0.01 1.52 0.25 0.02 0.00 0.00 0.00 98.19 0.02 55 I E E 42.17 21.83 12.94 33.53 123.18 -160.48 -126.44 128.20 1.70 98.29 0.01 1.55 0.07 0.01 0.00 0.00 0.00 98.33 0.04 56 R E E 117.42 4.60 22.09 27.34 126.63 -175.61 -129.36 140.45 2.89 97.09 0.02 2.52 0.22 0.03 0.01 0.01 0.00 97.09 0.13 57 S E E 54.03 12.25 11.76 24.20 119.39 -136.82 -96.93 141.94 23.29 76.66 0.05 20.96 1.46 0.12 0.01 0.03 0.00 77.11 0.31 58 Y C C 120.27 5.87 12.38 20.06 117.79 -157.51 -108.68 131.05 64.06 35.49 0.45 55.97 6.16 0.97 0.13 0.37 0.00 32.88 3.52 59 F C T 170.93 1.69 10.88 13.89 109.26 -94.11 -65.07 130.39 90.93 4.73 4.34 3.17 11.79 75.85 0.22 4.51 0.00 3.59 0.86 60 G C T 68.04 0.39 12.76 11.12 97.00 12.40 82.86 -2.43 94.23 0.67 5.11 2.47 11.69 79.40 0.24 5.52 0.00 0.45 0.23 61 S C S 51.41 6.41 9.74 17.98 126.95 92.83 -119.73 157.82 92.70 1.68 5.62 12.93 51.47 27.62 0.36 5.97 0.00 0.97 0.68 62 N C S 106.36 4.87 14.18 20.53 97.65 -133.53 -85.76 8.49 96.35 3.14 0.51 15.09 51.58 29.55 0.03 0.58 0.00 2.89 0.28 63 V E E 56.70 9.08 17.25 27.65 123.33 100.66 -106.45 142.65 35.71 64.24 0.05 28.36 6.90 0.34 0.01 0.05 0.00 63.14 1.20 64 S E E 13.34 19.08 15.25 34.48 124.08 -155.72 -113.58 143.71 5.90 94.09 0.01 5.12 0.35 0.02 0.00 0.00 0.00 94.37 0.13 65 K E E 76.50 10.16 24.59 34.94 124.19 -156.76 -118.02 138.43 0.88 99.12 0.00 0.67 0.07 0.00 0.00 0.00 0.00 99.25 0.01 66 G E E 4.35 21.69 18.02 39.50 139.96 160.34 -144.95 165.76 0.17 99.83 0.00 0.13 0.01 0.00 0.00 0.00 0.00 99.86 0.00 67 Y E E 54.40 12.49 26.77 39.97 128.97 -147.49 -128.45 143.21 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 68 A E E 2.59 25.65 19.72 45.88 125.95 -165.39 -123.75 139.03 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 69 K E E 43.00 14.16 27.95 42.39 119.58 -156.08 -112.35 129.33 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 70 A E E 6.45 22.79 21.55 44.19 119.55 -158.05 -105.16 132.13 2.68 97.31 0.00 2.52 0.08 0.00 0.00 0.00 0.00 97.27 0.12 71 Y E E 20.79 16.74 18.68 36.25 127.89 -165.84 -118.73 155.90 34.09 65.83 0.08 33.04 1.02 0.09 0.03 0.05 0.00 64.05 1.73 72 E C S 113.02 6.71 20.44 28.04 94.03 -135.82 -75.29 -25.85 99.57 0.39 0.04 3.72 95.07 0.92 0.01 0.01 0.00 0.23 0.04 73 T C S 61.42 3.91 22.03 25.72 131.36 29.97 -132.60 154.62 98.52 0.91 0.58 30.80 66.61 1.27 0.39 0.13 0.00 0.26 0.54 74 R H H 104.89 14.06 12.90 26.87 92.50 -123.31 -60.31 -36.03 6.81 0.02 93.16 0.57 0.83 4.71 81.23 12.63 0.02 0.01 0.01 75 E H H 130.36 1.55 19.81 20.27 91.85 55.29 -63.94 -40.31 5.11 0.01 94.88 0.30 0.36 3.86 82.59 12.88 0.01 0.01 0.01 76 R H H 93.93 6.77 18.16 25.97 92.38 48.35 -66.49 -39.16 3.03 0.01 96.96 0.33 0.25 2.05 83.13 14.24 0.00 0.01 0.00 77 M H H 8.28 23.37 11.59 34.80 91.39 52.29 -63.45 -41.81 2.04 0.01 97.95 0.28 0.18 1.31 85.21 13.01 0.00 0.01 0.00 78 L H H 75.96 10.63 17.51 28.58 91.38 53.53 -66.29 -31.03 6.92 0.04 93.04 0.47 0.37 5.61 73.80 19.70 0.02 0.02 0.02 79 Y H H 163.05 1.67 21.78 22.16 93.44 50.37 -74.54 -29.51 17.28 0.03 82.69 0.48 0.69 15.93 67.66 15.18 0.03 0.02 0.02 80 I H H 53.45 13.28 17.03 30.51 101.21 33.34 -99.15 -21.92 28.88 0.17 70.95 1.34 3.32 24.30 63.78 6.97 0.11 0.06 0.12 81 E C S 19.99 22.38 10.92 32.40 121.66 79.84 -97.34 141.20 99.57 0.24 0.19 17.48 81.91 0.23 0.17 0.02 0.00 0.05 0.14 82 P C C 51.98 6.31 18.42 26.16 113.57 -106.50 -65.00 144.62 99.09 0.45 0.46 98.68 0.41 0.13 0.35 0.03 0.00 0.09 0.32 83 E H H 118.45 6.76 14.54 23.05 92.09 -118.91 -58.37 -37.76 4.32 0.02 95.67 0.65 0.65 2.89 94.76 1.03 0.01 0.01 0.01 84 Y H H 127.03 3.14 18.54 21.79 91.82 55.60 -64.37 -39.47 2.48 0.02 97.50 0.29 0.24 1.98 96.04 1.42 0.01 0.01 0.00 85 I H H 30.39 12.20 15.67 29.29 92.31 49.02 -65.89 -41.74 1.05 0.11 98.84 0.23 0.13 0.72 97.20 1.58 0.01 0.11 0.01 86 L H H 16.26 16.73 12.57 30.03 91.81 50.68 -63.77 -42.34 1.26 0.45 98.28 0.38 0.17 0.75 97.33 0.97 0.02 0.35 0.03 87 V H H 88.53 3.40 17.02 21.04 92.33 49.42 -65.00 -40.88 3.44 0.53 96.03 0.83 0.37 2.32 94.31 1.61 0.05 0.47 0.05 88 R H H 143.63 3.35 15.88 20.14 92.10 52.10 -67.13 -32.43 9.53 0.14 90.33 0.71 0.60 8.11 89.25 1.15 0.05 0.08 0.04 89 D C T 54.34 11.45 12.78 25.08 95.50 45.91 -91.31 0.09 65.79 0.10 34.11 1.12 2.20 59.93 35.47 1.17 0.01 0.03 0.07 90 G C T 53.51 2.39 18.30 20.91 95.58 -113.28 76.80 17.10 96.37 0.22 3.41 8.92 8.21 79.29 2.72 0.65 0.00 0.11 0.10 91 L C C 49.56 13.62 11.74 25.72 104.39 129.09 -90.01 37.35 91.30 2.04 6.66 71.53 15.63 4.17 4.38 2.29 0.00 0.96 1.05 92 V C C 66.02 10.61 13.10 24.38 118.48 78.71 -99.67 140.18 84.65 5.01 10.34 61.71 17.41 5.64 6.69 3.77 0.00 2.85 1.94 93 Q C C 111.44 5.17 13.94 20.61 116.24 -137.88 -93.36 142.16 83.98 6.02 10.00 67.43 12.06 4.53 6.12 3.86 0.00 4.09 1.91 94 K C C 133.47 4.80 11.21 17.97 113.69 -110.41 -82.91 136.68 83.91 6.19 9.90 67.23 11.72 5.11 5.31 4.40 0.00 4.78 1.45 95 Q C C 119.67 4.40 9.01 15.40 111.76 -116.59 -82.47 138.01 85.22 5.56 9.22 67.81 10.84 6.72 4.31 4.70 0.00 4.40 1.22 96 E C C 145.46 2.14 9.22 13.06 110.85 -121.38 -84.06 131.86 91.14 3.20 5.66 86.39 1.04 4.88 2.64 2.02 0.00 2.20 0.83 97 E C C 139.71 3.01 10.20 15.00 109.79 -118.52 -85.61 123.02 99.91 0.08 0.02 99.85 0.07 0.03 0.01 0.00 0.00 0.04 0.00