# 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 S C C 70.63 5.35 14.99 21.62 115.67 -158.02 -103.88 124.26 99.68 0.31 0.01 99.69 0.06 0.02 0.00 0.00 0.00 0.21 0.01 1 L C C 102.19 6.71 12.41 20.68 114.66 -147.87 -96.06 128.47 73.03 24.58 2.38 69.43 1.50 1.68 1.04 0.88 0.00 23.98 1.49 2 K C E 100.59 10.19 11.99 22.98 121.22 -167.83 -110.42 136.15 50.40 46.64 2.97 40.81 6.67 2.58 1.19 1.44 0.00 46.17 1.15 3 S E E 55.13 7.45 17.22 25.80 125.32 -157.81 -115.72 144.02 34.88 62.89 2.23 29.62 3.34 1.20 0.84 1.00 0.00 63.28 0.73 4 I E E 65.60 15.64 13.84 29.25 126.32 -164.59 -124.30 138.77 20.98 77.64 1.38 18.79 1.62 0.47 0.68 0.50 0.00 77.26 0.67 5 I E E 78.89 8.55 18.89 28.39 123.75 -165.60 -119.37 135.04 12.29 86.61 1.10 11.31 0.85 0.32 0.60 0.39 0.00 85.69 0.83 6 R E E 117.19 10.07 16.44 27.19 114.60 -130.56 -85.25 131.48 20.20 78.41 1.38 18.83 1.15 0.41 0.75 0.52 0.00 76.94 1.40 7 Q C C 64.80 13.76 12.25 26.06 108.90 -150.94 -88.09 113.85 70.32 26.32 3.37 62.15 4.65 2.11 1.43 1.71 0.00 26.75 1.21 8 G C C 46.33 4.25 15.81 21.05 114.27 -134.19 54.20 -137.70 86.60 6.82 6.58 47.04 26.90 13.04 2.71 3.73 0.00 5.55 1.02 9 K C C 149.90 2.93 14.67 18.68 107.42 -37.78 -87.52 78.64 84.68 3.53 11.79 35.88 31.86 17.79 5.30 5.89 0.01 2.03 1.24 10 Q C C 90.17 9.59 11.43 21.83 116.01 111.97 -90.67 136.58 83.24 2.53 14.23 42.59 29.21 11.87 8.84 5.11 0.01 1.24 1.13 11 T C C 74.47 5.71 14.73 21.55 113.76 -131.41 -86.18 140.50 80.95 1.66 17.39 52.44 16.95 11.18 13.32 4.51 0.00 0.79 0.81 12 R C H 131.65 8.42 13.15 22.44 98.41 -128.88 -71.21 -25.70 53.35 0.80 45.86 28.76 14.92 10.04 41.53 4.02 0.01 0.31 0.40 13 S H H 67.47 2.84 17.08 19.85 96.25 59.02 -68.59 -39.23 32.03 0.50 67.47 13.82 8.52 10.91 61.46 4.80 0.03 0.23 0.23 14 D H H 65.80 7.47 18.18 26.33 94.70 49.20 -68.51 -36.66 20.67 0.47 78.86 10.11 4.18 7.47 73.65 4.14 0.03 0.25 0.19 15 L H H 15.59 21.10 13.11 33.57 92.86 53.94 -65.52 -40.35 12.85 0.32 86.84 7.28 2.31 4.16 83.17 2.78 0.01 0.17 0.11 16 K H H 98.73 5.82 19.73 26.21 91.78 52.80 -63.62 -40.96 7.59 0.25 92.16 4.47 1.50 2.45 89.76 1.60 0.01 0.13 0.08 17 Q H H 96.52 2.40 21.42 22.65 91.94 50.57 -64.50 -41.33 5.49 0.33 94.17 2.88 1.09 2.13 92.02 1.57 0.02 0.20 0.09 18 L H H 17.77 16.33 14.89 32.00 92.40 50.13 -65.09 -42.17 4.41 0.50 95.09 2.20 0.76 1.95 92.66 1.95 0.02 0.36 0.11 19 R H H 77.27 15.63 14.44 29.48 91.98 51.79 -63.25 -41.07 4.13 0.44 95.43 1.47 0.53 2.24 92.33 2.96 0.02 0.35 0.09 20 K H H 160.74 1.20 18.28 18.70 91.04 52.78 -66.44 -27.46 14.05 0.58 85.38 1.55 1.17 11.45 81.68 3.43 0.16 0.38 0.18 21 S C T 70.50 3.22 17.29 20.87 92.53 53.35 -86.48 -3.95 80.66 0.06 19.28 0.62 1.58 78.38 17.59 1.76 0.00 0.02 0.05 22 G C T 29.71 9.86 16.03 27.04 96.41 -106.69 85.79 8.56 99.80 0.10 0.10 1.41 2.78 95.68 0.02 0.03 0.00 0.06 0.01 23 K E E 71.74 11.75 20.41 32.39 127.08 125.01 -103.14 150.21 49.85 50.13 0.01 46.28 2.42 0.07 0.00 0.01 0.00 50.35 0.87 24 V E E 8.62 23.02 19.25 42.49 116.34 -138.49 -105.37 125.41 5.95 94.05 0.00 5.83 0.15 0.00 0.00 0.00 0.00 93.87 0.15 25 P E E 24.89 14.84 25.76 40.99 115.74 -126.35 -70.81 143.87 3.37 96.63 0.00 3.32 0.06 0.00 0.00 0.00 0.00 96.58 0.04 26 A E E 3.79 24.37 19.70 44.00 137.50 170.14 -142.96 159.06 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 27 V E E 31.00 13.37 26.06 40.03 118.99 -133.03 -109.25 129.35 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 28 V E E 8.07 22.86 19.32 42.39 118.07 -160.20 -107.66 126.64 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 29 Y E E 73.65 11.18 21.33 33.00 123.22 -172.07 -118.72 137.30 7.33 92.65 0.02 6.23 0.59 0.05 0.01 0.01 0.00 92.97 0.13 30 G C C 18.75 12.05 15.88 28.68 138.12 144.13 -147.32 173.37 65.69 34.16 0.15 51.30 12.42 0.99 0.03 0.15 0.00 34.10 1.02 31 Y C T 163.77 4.17 13.93 19.56 108.19 -51.15 -64.41 126.48 95.33 3.10 1.56 4.49 28.23 62.82 0.11 1.52 0.00 2.20 0.62 32 G C T 67.90 0.48 14.40 12.86 96.28 6.31 80.07 -0.26 97.97 0.81 1.22 4.11 28.52 65.26 0.06 1.30 0.00 0.55 0.18 33 T C S 66.06 7.36 9.88 19.03 128.49 91.41 -120.45 156.00 82.96 15.78 1.26 27.22 50.22 5.91 0.23 1.09 0.00 12.04 3.29 34 K C C 150.23 1.80 17.14 18.93 114.51 -100.24 -76.14 141.80 79.10 20.53 0.37 67.10 9.14 1.51 0.08 0.32 0.00 20.98 0.87 35 N C C 77.60 14.28 11.85 25.53 115.72 -111.67 -80.43 137.59 63.34 36.46 0.20 54.81 6.15 0.77 0.03 0.18 0.00 37.46 0.59 36 V E E 50.12 10.97 19.16 31.09 123.50 -168.38 -122.74 133.60 9.70 90.25 0.04 8.38 1.07 0.09 0.01 0.02 0.00 89.88 0.54 37 S E E 44.99 12.19 20.74 33.02 117.24 -122.78 -75.75 142.02 4.13 95.87 0.01 3.57 0.27 0.02 0.00 0.00 0.00 96.06 0.08 38 V E E 8.83 22.80 18.04 41.13 125.56 -165.20 -121.97 138.71 1.59 98.41 0.00 1.46 0.06 0.00 0.00 0.00 0.00 98.45 0.03 39 K E E 73.81 12.84 24.69 37.52 124.87 -159.12 -117.69 138.34 0.75 99.25 0.00 0.66 0.04 0.00 0.00 0.00 0.00 99.27 0.03 40 V E E 7.33 23.12 17.24 40.55 132.62 -178.37 -134.77 150.37 3.51 96.49 0.00 3.35 0.09 0.00 0.00 0.00 0.00 96.41 0.14 41 D E E 59.54 6.61 24.65 31.66 114.32 -108.12 -71.51 143.45 32.28 67.69 0.02 32.28 0.37 0.02 0.01 0.01 0.00 66.97 0.36 42 E H H 57.40 17.63 15.25 32.52 91.69 -122.24 -58.21 -38.11 1.04 0.00 98.96 0.16 0.09 0.62 98.65 0.48 0.00 0.00 0.00 43 V H H 89.70 2.73 22.90 24.96 91.60 54.40 -63.45 -40.08 0.25 0.00 99.75 0.02 0.01 0.17 99.33 0.47 0.00 0.00 0.00 44 E H H 58.58 10.58 20.32 31.52 91.88 49.71 -65.99 -40.51 0.13 0.00 99.87 0.01 0.00 0.09 99.35 0.55 0.00 0.00 0.00 45 F H H 3.60 26.29 15.66 42.40 91.34 50.67 -63.80 -43.54 0.15 0.00 99.85 0.01 0.01 0.09 99.74 0.14 0.00 0.00 0.00 46 I H H 54.28 11.86 20.74 32.89 91.41 51.16 -63.20 -42.10 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 47 K H H 107.02 2.62 23.72 25.18 91.64 50.87 -64.19 -41.87 0.31 0.00 99.69 0.03 0.01 0.19 99.72 0.04 0.00 0.00 0.00 48 V H H 15.10 16.35 17.94 35.03 91.93 50.38 -64.41 -42.97 0.58 0.01 99.41 0.07 0.04 0.36 99.43 0.09 0.00 0.00 0.00 49 I H H 22.27 21.04 15.43 35.82 92.10 49.54 -65.03 -40.47 1.04 0.01 98.95 0.19 0.09 0.61 98.86 0.25 0.00 0.00 0.00 50 R H H 152.98 3.22 19.07 23.10 92.75 48.89 -67.38 -37.58 3.34 0.02 96.64 0.41 0.21 2.48 96.32 0.57 0.00 0.01 0.00 51 E H H 121.35 2.67 19.16 21.78 97.19 39.17 -79.93 -36.97 7.02 0.03 92.95 0.53 0.56 5.62 92.71 0.54 0.01 0.01 0.01 52 V H H 47.05 12.67 14.71 27.84 101.56 31.65 -99.25 -21.41 22.25 0.27 77.47 3.67 5.39 13.42 76.49 0.74 0.06 0.07 0.17 53 G C C 25.12 9.24 17.80 27.98 122.16 -131.71 82.94 -171.22 92.43 1.16 6.42 65.68 8.15 18.82 2.31 3.87 0.00 0.75 0.43 54 R C T 126.02 10.85 15.98 26.81 98.00 -57.37 -75.55 -6.51 86.20 5.20 8.61 19.68 26.98 40.24 1.76 6.49 0.03 3.27 1.56 55 N C T 104.82 4.41 20.13 25.02 102.29 45.35 -94.89 20.84 86.61 8.75 4.64 28.35 22.58 36.15 0.48 4.27 0.00 7.34 0.83 56 G C C 17.30 12.67 16.42 29.72 128.08 112.94 -103.46 172.11 71.79 27.86 0.35 38.54 31.44 1.90 0.04 0.32 0.00 27.13 0.63 57 V E E 65.15 10.02 21.65 32.01 120.59 -113.10 -109.56 131.84 10.09 89.89 0.02 9.32 0.49 0.03 0.01 0.01 0.00 89.94 0.20 58 I E E 14.62 21.89 16.21 37.97 123.67 -167.22 -118.33 135.73 0.55 99.45 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.02 59 E E E 91.05 7.54 24.20 32.12 114.94 -143.81 -98.86 126.12 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 60 L E E 11.67 22.51 14.01 36.42 124.96 -174.19 -120.49 141.17 1.05 98.94 0.00 0.90 0.05 0.00 0.00 0.00 0.00 99.03 0.01 61 G E E 30.40 6.62 20.58 28.02 117.64 -146.80 -103.13 133.54 5.00 94.98 0.02 4.10 0.40 0.05 0.00 0.01 0.00 95.37 0.06 62 V E E 31.55 17.35 10.99 27.80 115.07 -176.20 -127.33 106.95 11.42 88.42 0.16 7.20 3.49 0.98 0.04 0.14 0.00 87.43 0.73 63 G C T 56.67 2.19 14.30 17.06 102.88 -43.42 61.63 -106.57 98.96 0.58 0.46 1.08 10.01 87.87 0.01 0.51 0.00 0.45 0.07 64 S C T 105.19 0.47 12.87 11.86 96.07 -24.77 -80.83 1.78 99.34 0.26 0.39 1.34 10.63 87.31 0.01 0.46 0.00 0.21 0.03 65 K E E 120.94 3.32 12.64 17.93 123.72 92.40 -108.84 144.11 13.73 86.21 0.06 9.17 4.23 0.46 0.01 0.05 0.00 85.74 0.34 66 T E E 85.81 6.58 13.46 22.08 118.06 -138.62 -99.65 131.53 5.90 94.10 0.00 5.01 0.25 0.01 0.00 0.00 0.00 94.67 0.04 67 I E E 34.14 14.98 14.49 30.51 127.36 -174.08 -125.88 141.78 1.17 98.83 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.95 0.01 68 K E E 106.66 6.67 23.45 30.58 114.23 -126.80 -86.11 130.49 0.61 99.39 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.00 69 V E E 4.27 24.58 15.82 41.02 134.35 176.08 -136.49 154.51 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 70 M E E 43.63 10.17 26.28 37.78 117.79 -132.29 -103.30 130.77 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 71 V E E 6.72 24.36 16.26 41.51 110.06 -123.54 -76.03 124.69 1.95 98.04 0.01 1.83 0.08 0.01 0.00 0.00 0.00 98.05 0.02 72 A E E 44.13 8.38 22.46 31.70 101.31 175.84 -97.61 -31.66 6.25 93.73 0.02 4.04 1.80 0.18 0.00 0.02 0.00 93.93 0.04 73 D E E 62.78 6.02 24.81 31.48 141.33 -0.55 -154.74 154.49 2.35 97.63 0.01 1.81 0.32 0.04 0.00 0.01 0.00 97.79 0.02 74 Y E E 58.50 21.21 13.83 33.85 128.68 -161.37 -132.17 139.25 1.21 98.79 0.00 1.12 0.05 0.00 0.00 0.00 0.00 98.79 0.02 75 Q E E 66.94 8.43 21.14 30.44 127.90 -172.50 -129.68 141.18 1.06 98.93 0.00 0.83 0.10 0.01 0.00 0.00 0.00 99.03 0.02 76 F E E 90.98 11.48 14.80 27.07 120.97 -151.11 -110.15 134.84 2.45 97.54 0.00 2.17 0.19 0.01 0.00 0.00 0.00 97.25 0.38 77 D C C 39.33 9.58 11.45 23.34 108.28 -127.79 -85.14 116.15 74.15 25.83 0.02 73.50 0.54 0.05 0.00 0.01 0.00 25.47 0.43 78 P C T 95.19 3.92 11.89 17.77 93.25 -156.20 -65.91 -25.86 99.50 0.09 0.41 0.33 5.63 93.58 0.01 0.38 0.00 0.05 0.02 79 L C T 132.73 1.15 12.46 13.38 96.58 47.47 -75.33 -38.14 99.35 0.19 0.47 0.34 5.91 93.16 0.01 0.43 0.00 0.10 0.06 80 K C T 123.00 2.55 12.17 15.55 100.49 24.41 -102.28 -8.56 99.30 0.24 0.46 2.36 9.66 87.26 0.01 0.50 0.00 0.15 0.06 81 N C T 100.91 6.22 12.77 20.96 95.20 -130.21 57.26 36.44 99.26 0.45 0.29 32.36 13.40 53.50 0.05 0.25 0.00 0.36 0.07 82 Q C E 74.37 6.81 19.30 27.22 132.53 117.20 -129.87 154.54 51.52 48.41 0.07 37.10 14.43 0.53 0.01 0.07 0.00 45.31 2.54 83 I E E 21.52 21.30 14.67 36.07 109.61 -109.93 -76.36 126.51 1.56 98.44 0.00 1.51 0.06 0.00 0.00 0.00 0.00 98.06 0.37 84 T E E 47.94 9.20 22.16 32.33 101.41 176.11 -100.22 -28.80 2.00 98.00 0.00 1.32 0.44 0.02 0.00 0.00 0.00 98.21 0.01 85 H E E 54.92 10.19 24.34 35.36 140.35 2.29 -154.61 149.23 0.47 99.53 0.00 0.36 0.04 0.00 0.00 0.00 0.00 99.60 0.00 86 I E E 8.01 24.84 16.91 42.03 125.66 -165.96 -130.00 132.91 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 87 D E E 34.33 10.34 26.62 37.86 121.19 -164.73 -113.69 133.27 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 88 F E E 9.45 24.75 17.56 42.55 125.55 -166.36 -121.84 137.64 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 89 L E E 44.40 10.97 25.21 36.69 124.93 -167.67 -122.85 135.96 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 90 A E E 27.77 16.29 17.90 34.33 114.97 -130.19 -84.96 132.84 1.15 98.85 0.00 1.11 0.03 0.00 0.00 0.00 0.00 98.81 0.05 91 I E E 44.68 14.24 14.18 29.13 115.59 -154.59 -100.37 127.22 33.70 66.28 0.02 33.68 0.27 0.04 0.00 0.01 0.00 65.37 0.62 92 N C C 113.85 3.61 18.34 22.64 104.37 -119.83 -74.98 86.92 99.69 0.31 0.00 99.58 0.15 0.02 0.00 0.00 0.00 0.24 0.01