# 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 112.39 6.68 13.67 21.70 114.38 -155.88 -91.85 130.83 99.91 0.08 0.00 99.91 0.04 0.01 0.00 0.00 0.00 0.04 0.00 1 I C C 88.77 8.47 12.45 22.19 118.03 -160.69 -102.34 133.27 87.55 11.91 0.55 86.88 0.59 1.24 0.15 0.26 0.00 9.23 1.65 2 K C C 121.66 6.46 14.50 22.71 119.20 -154.91 -103.37 136.10 80.07 19.11 0.81 69.13 7.91 2.43 0.20 0.68 0.00 16.38 3.27 3 L C C 38.19 17.75 13.20 30.59 119.37 -153.30 -106.71 132.95 80.17 19.34 0.48 70.15 8.40 1.21 0.10 0.46 0.00 18.02 1.65 4 K C C 112.04 6.37 24.01 30.76 113.39 -144.13 -94.17 125.12 78.06 21.54 0.41 71.11 5.58 0.96 0.11 0.33 0.00 18.37 3.53 5 I C C 7.09 25.68 12.51 38.41 121.43 -165.93 -110.39 134.54 78.03 21.87 0.09 77.80 1.73 0.07 0.06 0.04 0.00 10.43 9.87 6 K C C 99.15 4.84 24.87 29.88 129.39 -161.71 -112.62 158.44 97.41 2.56 0.03 97.65 0.45 0.04 0.01 0.01 0.00 1.21 0.64 7 S C T 59.71 11.53 15.77 27.63 109.90 -84.17 -59.98 136.43 99.61 0.29 0.10 0.14 1.02 98.62 0.00 0.05 0.00 0.13 0.04 8 G C T 41.63 4.62 20.58 26.17 95.94 25.76 89.33 -6.39 99.91 0.06 0.03 0.18 1.10 98.66 0.00 0.01 0.00 0.04 0.00 9 D C C 28.17 15.64 15.92 32.50 118.22 133.24 -70.93 146.31 97.57 2.42 0.00 96.79 0.86 0.02 0.00 0.00 0.00 2.27 0.06 10 I E E 64.79 9.47 25.00 35.11 115.38 -126.51 -91.71 129.97 2.39 97.60 0.01 2.49 0.06 0.00 0.00 0.00 0.00 96.73 0.71 11 V E E 2.63 26.22 17.37 44.39 130.75 -174.08 -129.15 149.42 1.12 98.87 0.01 1.00 0.06 0.01 0.00 0.01 0.00 98.88 0.04 12 R E E 77.11 10.15 27.19 38.13 120.04 -143.79 -110.87 132.01 1.43 98.52 0.05 1.28 0.10 0.04 0.02 0.03 0.00 98.48 0.06 13 V E E 7.64 23.36 16.50 40.76 109.26 -122.49 -76.75 123.03 12.50 87.40 0.09 12.51 0.35 0.05 0.03 0.05 0.00 86.44 0.58 14 I C C 55.78 10.19 22.67 33.75 100.11 176.29 -99.04 -25.59 89.97 9.68 0.35 65.06 22.12 2.33 0.04 0.40 0.00 9.51 0.52 15 A C S 40.74 7.17 22.70 30.65 141.28 8.85 -153.19 156.50 95.42 4.07 0.51 10.93 79.31 5.62 0.07 0.41 0.00 2.53 1.13 16 G C S 34.58 4.84 19.50 25.56 128.20 34.23 95.13 -163.46 94.79 1.48 3.72 5.90 79.03 10.34 0.41 2.66 0.00 0.58 1.08 17 D C T 113.63 2.77 19.69 23.06 94.14 -46.05 -72.10 -17.57 91.36 0.74 7.90 1.33 20.08 69.74 0.26 7.79 0.00 0.37 0.42 18 H C T 34.88 17.88 12.82 30.85 96.63 53.01 -100.81 9.25 93.04 1.02 5.93 4.95 12.39 74.49 0.32 6.80 0.00 0.61 0.44 19 K C T 102.92 10.63 14.63 26.55 111.53 129.02 -61.21 133.59 98.10 0.76 1.14 1.10 1.94 95.35 0.11 0.79 0.00 0.34 0.36 20 G C T 50.55 3.41 20.12 24.07 94.04 21.12 84.45 -3.43 99.18 0.35 0.46 0.82 2.31 96.15 0.03 0.39 0.00 0.26 0.04 21 A C C 38.53 11.56 17.33 29.78 120.59 127.14 -79.19 148.85 97.52 2.40 0.08 93.24 3.93 0.39 0.01 0.07 0.00 2.17 0.18 22 E E E 100.87 9.40 21.14 31.44 125.14 -144.32 -113.48 143.24 7.97 92.01 0.03 7.61 0.49 0.04 0.01 0.01 0.00 89.20 2.64 23 G E E 9.08 15.05 20.92 36.56 144.60 138.48 -169.06 -171.08 1.94 98.05 0.00 1.58 0.21 0.01 0.00 0.00 0.00 98.17 0.03 24 K E E 84.69 7.91 25.97 34.78 120.17 -82.32 -101.08 139.43 0.61 99.38 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.43 0.01 25 V E E 5.89 24.81 14.56 40.43 109.11 -114.41 -74.53 124.92 0.75 99.25 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.25 0.01 26 L E E 67.30 7.96 23.01 31.76 100.77 175.49 -96.22 -33.24 2.24 97.76 0.00 1.43 0.49 0.01 0.00 0.00 0.00 98.05 0.01 27 R E E 104.75 5.24 25.44 31.63 139.00 0.81 -153.22 149.42 0.42 99.58 0.00 0.29 0.04 0.00 0.00 0.00 0.00 99.67 0.00 28 V E E 25.73 22.09 13.65 35.14 120.69 -157.90 -122.59 125.89 0.50 99.50 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.01 29 Y E E 70.78 7.00 19.01 27.89 109.69 -159.84 -109.19 107.55 2.40 97.58 0.01 2.24 0.10 0.01 0.01 0.00 0.00 97.37 0.26 30 R C T 119.28 10.25 13.09 24.59 93.94 -174.81 -66.76 -33.24 66.53 1.10 32.37 1.36 2.37 61.33 0.40 33.52 0.00 0.93 0.09 31 E C T 157.71 0.70 16.10 15.13 92.57 54.33 -67.52 -36.23 69.65 0.23 30.12 0.36 1.48 67.11 0.31 30.57 0.00 0.13 0.05 32 K C T 117.42 3.31 16.12 19.89 96.51 33.69 -95.24 -6.38 70.26 0.07 29.67 0.34 1.43 67.38 0.29 30.50 0.00 0.03 0.02 33 N C T 55.22 13.38 14.62 28.98 94.35 -126.63 58.32 42.16 99.72 0.09 0.19 3.80 2.86 93.12 0.02 0.11 0.00 0.08 0.01 34 K E E 53.39 11.20 22.40 34.47 135.58 128.60 -132.42 157.75 5.51 94.49 0.00 4.80 0.25 0.02 0.00 0.00 0.00 94.82 0.10 35 A E E 3.07 24.67 17.84 43.29 124.37 -148.28 -118.91 138.13 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 36 I E E 37.94 11.09 26.56 38.78 117.73 -153.14 -109.51 126.77 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 37 V E E 5.84 24.44 16.78 41.76 118.56 -167.93 -113.47 127.25 0.40 99.60 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 38 E E E 93.48 7.09 23.31 30.76 119.07 -149.26 -87.73 143.58 18.57 81.25 0.18 8.09 4.58 5.85 0.01 0.18 0.00 81.09 0.20 39 G C S 36.50 6.42 22.03 29.18 97.13 18.49 77.21 10.46 75.21 24.53 0.26 16.42 40.65 15.64 0.01 0.29 0.00 26.60 0.38 40 V C C 25.17 21.41 13.26 33.69 110.06 138.68 -88.78 114.53 70.34 28.94 0.72 53.69 12.03 3.68 0.10 0.71 0.00 28.79 0.99 41 N C E 78.44 8.39 21.24 29.80 106.42 52.03 -96.70 81.11 58.32 41.14 0.53 38.02 14.63 5.33 0.06 0.55 0.00 40.52 0.90 42 L E E 63.40 13.94 15.34 29.39 117.54 -169.27 -97.15 132.04 22.72 77.06 0.22 18.81 3.45 0.55 0.05 0.17 0.00 75.71 1.25 43 V E E 62.00 10.65 15.96 27.57 122.95 -167.24 -116.43 136.43 8.63 91.30 0.08 7.51 0.95 0.14 0.03 0.05 0.00 90.61 0.72 44 S E E 56.64 9.31 14.27 24.62 120.02 -145.82 -101.93 137.92 9.59 90.31 0.10 8.27 0.93 0.18 0.03 0.07 0.00 90.11 0.40 45 K E E 114.96 6.46 14.20 22.23 120.66 -161.89 -112.20 135.72 17.77 81.81 0.42 14.09 3.15 0.70 0.11 0.30 0.00 81.13 0.51 46 H E E 109.25 7.41 11.52 20.41 116.44 -140.96 -98.79 131.18 26.52 73.09 0.40 21.53 4.82 0.81 0.10 0.31 0.00 71.20 1.23 47 T E E 77.81 5.83 12.21 19.84 120.32 -164.11 -107.30 139.90 46.80 52.85 0.35 38.86 6.81 0.82 0.09 0.32 0.00 49.04 4.07 48 K C C 142.51 2.92 12.70 17.20 115.51 -116.12 -85.63 137.21 86.32 13.57 0.11 77.89 7.45 0.37 0.03 0.09 0.00 13.32 0.85 49 P C C 71.16 7.92 8.74 18.16 114.69 -106.33 -67.14 148.95 91.36 7.82 0.82 82.40 6.71 2.05 0.18 0.71 0.00 6.12 1.83 50 S C C 61.95 3.39 10.67 15.62 122.10 -140.15 -101.99 164.28 86.62 12.23 1.15 72.79 9.45 2.75 0.40 0.78 0.00 4.40 9.44 51 A C T 97.40 1.12 9.07 11.14 93.83 -98.55 -64.07 -30.43 97.06 0.74 2.20 3.49 40.11 53.81 0.22 1.67 0.00 0.43 0.26 52 K C T 171.21 0.59 10.84 10.53 96.57 46.00 -82.09 -20.58 97.48 0.65 1.88 3.67 39.51 54.55 0.18 1.49 0.00 0.38 0.23 53 N C S 77.68 5.02 8.25 15.26 112.19 28.55 -130.23 90.93 83.89 15.19 0.92 33.48 48.35 2.73 0.25 0.68 0.00 6.58 7.93 54 P C T 98.59 3.35 9.65 15.15 94.75 -172.88 -66.56 -21.24 86.93 7.40 5.67 27.00 17.60 42.28 0.48 5.85 0.00 5.43 1.36 55 Q C T 135.40 1.79 12.68 15.01 99.10 61.59 -87.95 2.62 80.96 12.55 6.50 22.05 18.88 40.57 0.62 6.22 0.02 8.78 2.86 56 G C C 30.48 8.74 11.24 21.19 119.30 -135.85 79.16 172.98 85.61 11.22 3.17 51.03 18.94 15.37 0.32 3.44 0.00 9.12 1.78 57 G C C 33.40 6.08 14.78 22.10 121.59 -141.76 108.51 -173.47 67.91 31.54 0.55 38.93 24.72 4.51 0.08 0.55 0.00 30.08 1.13 58 I E E 90.49 9.49 12.97 23.48 119.65 -55.99 -101.16 134.84 13.24 86.74 0.02 11.62 1.33 0.09 0.00 0.01 0.00 86.27 0.68 59 V E E 65.63 7.52 15.00 24.24 123.52 -167.71 -118.40 137.74 1.76 98.23 0.00 1.62 0.06 0.00 0.00 0.00 0.00 98.25 0.07 60 K E E 119.82 8.56 13.89 24.07 119.41 -145.60 -103.62 134.00 1.33 98.67 0.00 1.18 0.04 0.00 0.00 0.00 0.00 98.75 0.02 61 K E E 87.62 7.52 16.59 25.68 131.91 175.84 -138.15 151.26 2.43 97.56 0.00 2.23 0.09 0.01 0.00 0.00 0.00 97.60 0.06 62 E E E 106.47 9.14 16.60 26.74 116.68 -116.25 -84.39 138.34 8.73 91.26 0.01 8.10 0.44 0.03 0.00 0.00 0.00 91.14 0.28 63 A E E 20.89 15.17 16.75 32.64 135.20 172.74 -139.77 155.19 34.39 65.60 0.01 32.28 1.00 0.03 0.00 0.01 0.00 66.48 0.20 64 S E E 51.93 9.78 22.57 32.35 114.15 -105.33 -72.97 141.36 26.08 73.91 0.01 23.51 1.88 0.08 0.00 0.01 0.00 73.90 0.62 65 I E E 12.00 23.44 16.00 39.41 128.13 -169.49 -126.99 142.09 12.96 87.03 0.01 12.64 0.47 0.01 0.00 0.00 0.00 83.00 3.88 66 Q E E 57.44 9.41 25.03 35.08 111.90 -121.21 -79.79 132.04 24.79 75.19 0.02 26.40 0.28 0.01 0.01 0.01 0.00 70.32 2.97 67 I H G 20.90 23.06 16.63 39.53 91.65 -131.45 -61.19 -30.27 6.19 0.24 93.58 0.86 0.68 3.59 1.12 93.52 0.00 0.23 0.00 68 S H G 55.62 9.81 22.76 33.34 90.30 66.93 -70.85 -15.25 5.28 0.17 94.55 0.27 0.42 3.81 0.70 94.65 0.00 0.15 0.00 69 N H G 51.02 12.93 22.17 35.85 96.68 54.95 -99.80 4.56 6.25 0.19 93.56 0.63 0.70 3.76 0.59 94.15 0.00 0.16 0.00 70 I E E 5.69 25.66 17.20 43.42 121.24 95.68 -97.89 138.05 44.96 53.36 1.68 37.32 7.06 0.76 0.65 1.10 0.00 50.53 2.58 71 A E E 22.20 14.50 26.02 40.41 129.57 -170.88 -122.64 147.27 25.78 74.08 0.13 24.96 0.97 0.13 0.05 0.07 0.00 72.89 0.93 72 L E E 18.85 20.80 21.44 41.77 117.72 -135.10 -102.61 130.13 6.93 93.00 0.07 6.10 0.90 0.12 0.02 0.04 0.00 92.49 0.33 73 I E E 36.39 13.32 19.77 34.25 118.75 -157.38 -110.12 128.30 4.63 95.34 0.04 4.31 0.24 0.02 0.06 0.01 0.00 86.05 9.31 74 D C C 29.24 11.24 15.04 28.68 108.11 -136.42 -87.05 115.09 76.22 23.76 0.03 75.88 0.65 0.06 0.01 0.01 0.00 22.59 0.80 75 P C T 72.63 8.13 13.89 23.81 92.96 -158.03 -66.07 -26.73 99.48 0.11 0.41 0.49 3.64 95.39 0.01 0.38 0.00 0.07 0.02 76 K C T 152.89 1.44 14.57 15.92 96.49 49.67 -73.97 -39.34 99.45 0.08 0.47 0.19 2.52 96.80 0.01 0.42 0.00 0.04 0.03 77 T C T 79.41 3.15 12.91 16.99 100.28 23.92 -102.19 -12.83 99.55 0.09 0.36 0.79 3.76 95.00 0.01 0.38 0.00 0.05 0.02 78 K C C 140.12 4.70 12.15 19.11 94.80 -129.33 63.39 27.11 99.08 0.64 0.28 57.10 7.41 34.57 0.05 0.24 0.00 0.49 0.15 79 E C C 102.37 3.67 16.60 21.55 122.25 136.16 -96.28 146.85 72.25 27.67 0.08 61.90 9.17 0.57 0.01 0.08 0.00 27.23 1.04 80 T E E 69.68 10.27 15.62 26.59 115.66 -111.51 -78.08 138.86 4.93 95.04 0.03 4.54 0.31 0.02 0.03 0.01 0.00 87.67 7.42 81 T E E 24.16 15.94 16.02 32.57 131.70 -174.14 -130.75 153.00 14.02 85.97 0.02 13.15 0.54 0.04 0.00 0.01 0.00 86.10 0.15 82 R E E 96.82 10.03 22.65 33.01 117.00 -117.29 -90.50 133.95 9.57 90.42 0.01 8.58 0.61 0.03 0.00 0.01 0.00 90.52 0.24 83 V E E 15.93 21.71 16.54 38.06 119.36 -153.98 -104.39 135.87 12.74 87.25 0.01 12.01 0.34 0.01 0.00 0.00 0.00 87.49 0.14 84 G E E 10.95 12.15 22.48 35.38 137.49 165.77 -140.24 172.91 2.85 97.14 0.00 2.47 0.15 0.01 0.00 0.00 0.00 97.32 0.05 85 I E E 55.61 15.78 16.81 32.37 127.38 -122.82 -122.45 142.10 1.29 98.71 0.00 1.15 0.04 0.00 0.00 0.00 0.00 98.78 0.03 86 R E E 93.52 8.21 17.71 27.04 129.87 -174.52 -129.72 148.95 0.95 99.04 0.00 0.81 0.05 0.00 0.00 0.00 0.00 99.12 0.02 87 V E E 78.53 8.16 12.12 21.88 116.75 -132.33 -100.78 127.74 3.65 96.35 0.01 3.05 0.28 0.03 0.00 0.00 0.00 96.59 0.05 88 E E E 100.09 5.39 10.15 17.53 116.32 175.57 -128.60 111.32 10.30 89.63 0.07 7.17 2.15 0.59 0.01 0.07 0.00 89.67 0.34 89 G C T 66.15 0.44 12.04 10.94 105.12 -40.05 62.04 -123.52 99.64 0.23 0.13 0.68 7.32 91.66 0.00 0.15 0.00 0.18 0.02 90 D C T 137.39 0.51 10.55 10.43 96.55 -30.13 -82.90 6.30 99.79 0.12 0.09 0.74 7.42 91.63 0.00 0.11 0.00 0.08 0.01 91 K E E 117.46 3.34 11.64 17.01 124.46 93.55 -109.69 144.92 7.19 92.80 0.01 5.07 1.70 0.08 0.00 0.01 0.00 92.96 0.18 92 K E E 105.67 7.90 12.71 22.22 117.13 -131.25 -94.10 132.03 1.49 98.51 0.00 1.31 0.04 0.00 0.00 0.00 0.00 98.63 0.02 93 V E E 27.78 12.73 15.65 30.24 127.36 -173.59 -124.58 143.76 0.84 99.16 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.23 0.01 94 R E E 71.42 12.19 19.51 32.49 116.72 -132.91 -97.46 130.58 0.54 99.46 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.00 95 F E E 30.81 13.88 18.69 33.91 130.88 -174.62 -128.31 149.80 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.58 0.09 96 S E E 11.45 15.20 14.52 31.63 110.74 -113.09 -72.90 130.86 6.78 93.21 0.01 6.44 0.19 0.01 0.00 0.00 0.00 92.84 0.51 97 K C T 104.27 8.58 16.35 26.10 93.50 -147.05 -67.87 -30.28 99.14 0.49 0.37 0.60 3.15 95.52 0.01 0.31 0.00 0.35 0.05 98 K C T 141.07 2.63 16.28 19.34 97.04 46.33 -77.03 -39.26 99.26 0.29 0.45 0.25 2.32 96.84 0.01 0.35 0.00 0.15 0.07 99 S C T 57.51 4.56 13.76 19.64 102.01 22.41 -107.20 -11.37 99.56 0.12 0.32 0.97 3.32 95.31 0.01 0.29 0.00 0.08 0.02 100 N C C 103.37 6.22 13.36 21.34 94.23 -124.99 66.12 21.93 99.44 0.30 0.25 66.27 4.95 28.25 0.06 0.16 0.00 0.24 0.07 101 Q C C 89.79 4.92 15.57 22.16 119.00 141.40 -82.30 145.43 75.20 24.72 0.08 68.83 5.54 0.41 0.02 0.07 0.00 23.25 1.88 102 V E E 78.76 8.84 16.00 25.84 113.57 -113.48 -80.44 132.72 3.40 96.58 0.02 3.26 0.18 0.01 0.05 0.00 0.00 65.01 31.49 103 L C C 34.23 18.76 14.11 32.10 111.24 -149.92 -89.53 122.26 93.57 6.43 0.00 93.60 0.07 0.01 0.00 0.00 0.00 6.29 0.03