# 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 I C C 24.97 20.35 17.17 37.10 121.08 -165.48 -113.06 129.23 91.01 8.99 0.00 91.22 0.08 0.00 0.00 0.00 0.00 8.66 0.04 1 R E E 102.92 8.54 22.17 31.27 120.04 -162.39 -113.60 128.39 10.54 89.45 0.00 10.74 0.08 0.01 0.00 0.00 0.00 88.92 0.26 2 I E E 17.71 21.60 15.34 36.91 120.02 -165.90 -112.81 128.99 2.68 97.32 0.00 2.75 0.04 0.00 0.00 0.00 0.00 97.16 0.04 3 R E E 99.45 8.33 24.61 33.33 118.39 -160.45 -110.94 126.37 1.22 98.78 0.00 1.22 0.02 0.00 0.00 0.00 0.00 98.72 0.03 4 L E E 7.64 24.56 15.97 40.79 125.63 -170.73 -119.97 139.40 2.24 97.76 0.00 2.31 0.04 0.00 0.00 0.00 0.00 97.59 0.06 5 K E E 92.89 7.79 26.12 34.47 122.71 -161.50 -114.83 136.01 5.92 94.06 0.02 5.63 0.24 0.03 0.01 0.01 0.00 93.89 0.20 6 A E E 9.65 21.62 13.59 34.99 136.30 170.69 -142.43 157.46 30.96 68.95 0.09 29.80 1.09 0.13 0.03 0.06 0.00 67.64 1.26 7 Y C S 129.58 6.46 20.55 27.73 94.95 -136.03 -78.52 -24.43 98.78 1.18 0.05 6.68 91.70 0.65 0.01 0.02 0.00 0.85 0.09 8 D C C 63.68 7.37 18.67 27.12 113.90 49.95 -118.95 108.57 98.77 1.04 0.19 66.43 32.05 0.49 0.11 0.06 0.00 0.41 0.45 9 H H H 92.23 12.98 14.15 27.45 93.32 -162.27 -62.95 -34.19 3.25 0.01 96.74 0.54 0.55 2.01 96.05 0.85 0.01 0.00 0.00 10 R H H 159.53 1.57 21.25 21.78 91.87 55.92 -64.33 -40.38 1.82 0.01 98.17 0.21 0.19 1.32 97.45 0.81 0.01 0.00 0.00 11 I H H 41.11 11.09 18.65 30.88 92.03 48.28 -65.30 -41.77 0.79 0.01 99.20 0.17 0.09 0.46 98.52 0.76 0.00 0.00 0.00 12 L H H 4.92 24.77 14.66 39.59 91.17 51.13 -63.08 -43.45 0.36 0.00 99.64 0.09 0.03 0.16 99.57 0.14 0.00 0.00 0.00 13 D H H 65.83 9.22 23.03 32.31 91.53 50.28 -63.69 -41.92 0.35 0.00 99.65 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 14 Q H H 95.85 2.81 26.51 28.30 91.64 49.16 -64.56 -42.00 0.35 0.00 99.65 0.03 0.02 0.23 99.67 0.05 0.00 0.00 0.00 15 S H H 7.78 19.05 21.04 40.17 91.90 49.60 -64.43 -42.50 0.51 0.00 99.49 0.05 0.03 0.34 99.54 0.05 0.00 0.00 0.00 16 A H H 5.74 23.02 19.72 42.50 91.18 51.92 -62.75 -42.28 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.02 0.00 0.00 0.00 17 E H H 104.09 4.36 26.35 30.97 91.40 51.17 -63.73 -41.67 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 18 K H H 85.16 7.84 25.53 33.74 91.56 49.67 -64.50 -42.28 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 19 I H H 2.35 26.33 20.47 46.92 91.32 49.02 -63.86 -43.73 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 20 V H H 24.75 17.47 22.16 39.11 91.27 49.58 -63.08 -42.95 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 21 E H H 103.38 2.42 26.82 27.85 91.39 50.10 -63.52 -42.10 0.27 0.00 99.73 0.04 0.01 0.14 99.79 0.02 0.00 0.00 0.00 22 T H H 20.85 13.29 21.11 35.25 91.86 49.51 -64.48 -42.26 0.45 0.00 99.54 0.04 0.02 0.30 99.59 0.06 0.00 0.00 0.00 23 A H H 3.55 24.07 14.62 38.94 91.27 51.02 -63.53 -42.27 0.83 0.00 99.17 0.11 0.06 0.52 99.14 0.19 0.00 0.00 0.00 24 K H H 129.42 4.78 19.71 25.87 91.26 50.96 -63.07 -40.11 1.73 0.01 98.27 0.20 0.10 1.27 97.79 0.63 0.00 0.00 0.00 25 R H H 163.48 2.12 19.56 21.70 90.95 53.62 -65.73 -28.38 8.08 0.02 91.91 0.24 0.28 7.64 91.19 0.62 0.01 0.01 0.01 26 S C T 37.25 13.41 13.84 27.83 93.85 51.44 -89.21 -0.67 71.86 0.04 28.09 0.41 1.26 69.12 28.30 0.86 0.01 0.01 0.04 27 G C T 56.83 1.51 21.26 21.59 96.22 -104.80 85.92 12.02 99.84 0.02 0.14 2.02 1.63 96.27 0.05 0.03 0.00 0.01 0.00 28 A C C 14.47 21.63 9.53 30.11 120.95 140.22 -87.30 149.38 98.49 1.48 0.02 96.73 1.78 0.11 0.00 0.01 0.00 1.26 0.10 29 S E E 76.02 2.70 24.34 26.61 111.50 -125.59 -86.89 125.28 45.80 54.12 0.08 43.25 1.65 0.21 0.01 0.06 0.00 53.87 0.94 30 V E E 31.20 23.04 10.64 32.23 121.94 -167.26 -114.77 133.74 11.71 88.23 0.05 11.26 0.37 0.04 0.03 0.03 0.00 80.80 7.47 31 S E E 69.92 4.09 20.83 25.47 114.89 -172.07 -111.96 121.14 30.61 69.34 0.04 23.43 6.80 0.37 0.01 0.04 0.00 68.40 0.95 32 G C E 33.82 4.70 20.84 26.00 132.94 -17.23 115.40 -175.31 53.85 46.13 0.02 17.71 35.27 0.47 0.00 0.02 0.00 46.24 0.29 33 P C C 66.57 12.96 16.36 29.20 116.02 -57.94 -70.34 146.27 61.30 38.67 0.02 55.44 4.28 0.14 0.00 0.03 0.00 39.42 0.70 34 I E E 32.61 16.81 15.68 33.05 118.98 -153.37 -114.10 125.70 21.60 78.38 0.02 20.03 1.02 0.03 0.01 0.01 0.00 69.49 9.41 35 P E E 78.43 5.77 23.19 29.48 114.59 -115.45 -68.60 143.20 38.26 61.73 0.02 37.24 1.09 0.04 0.00 0.01 0.00 58.77 2.84 36 L C C 35.26 21.15 12.83 33.14 116.90 -120.57 -84.01 138.94 92.07 7.92 0.02 89.57 2.92 0.05 0.00 0.01 0.00 6.96 0.49 37 P C C 42.12 11.47 16.77 29.40 114.00 -103.95 -65.61 148.50 91.23 8.29 0.48 88.05 2.87 0.54 0.10 0.35 0.00 7.23 0.86 38 T C S 90.06 6.36 16.13 23.81 99.42 -151.35 -89.57 -15.96 76.67 21.50 1.83 33.78 41.05 2.63 0.31 1.42 0.00 19.66 1.15 39 E E E 104.95 4.46 17.95 23.48 124.48 56.54 -117.76 143.55 23.50 74.32 2.19 17.01 6.22 1.69 0.42 1.41 0.00 72.60 0.65 40 K E E 99.20 12.99 13.19 26.34 127.07 -165.38 -127.76 139.55 8.12 90.69 1.19 6.97 0.88 0.35 0.35 0.52 0.00 90.70 0.24 41 S E E 38.70 9.08 16.69 27.32 127.86 -169.65 -125.69 145.90 2.77 96.99 0.25 2.29 0.23 0.08 0.09 0.07 0.00 97.15 0.09 42 V E E 66.82 9.80 16.39 27.48 119.63 -146.85 -111.04 130.08 1.83 98.01 0.15 1.52 0.12 0.03 0.05 0.04 0.00 98.19 0.05 43 Y E E 55.37 13.18 14.84 29.27 123.88 -169.24 -118.09 137.77 1.97 97.81 0.22 1.70 0.11 0.04 0.07 0.06 0.00 97.96 0.05 44 T E E 58.18 8.25 18.44 27.94 118.64 -148.90 -106.43 131.73 3.20 96.51 0.29 2.92 0.14 0.05 0.13 0.09 0.00 96.56 0.11 45 I E E 36.64 14.27 14.43 29.77 118.38 -160.34 -109.91 127.66 10.47 87.85 1.68 9.08 0.88 0.36 1.08 0.50 0.00 87.59 0.52 46 L E E 68.35 8.11 15.82 25.49 115.79 -144.30 -94.72 133.02 28.34 66.36 5.29 22.18 4.88 2.03 2.97 2.02 0.00 64.90 1.02 47 R C E 113.51 7.76 13.94 23.02 116.59 -152.09 -100.36 133.07 45.50 45.07 9.43 32.23 10.06 4.15 5.48 3.79 0.04 42.11 2.16 48 A C C 44.12 7.32 10.97 20.23 117.33 -125.83 -95.28 138.17 66.88 22.95 10.18 50.31 10.24 5.56 5.49 4.69 0.02 21.28 2.41 49 V C T 99.50 4.06 10.73 16.30 100.00 -135.71 -75.84 -14.85 76.00 6.41 17.59 23.95 26.03 27.72 7.65 8.60 0.09 4.21 1.76 50 H C T 137.33 2.27 10.07 13.34 105.60 48.85 -89.20 38.80 79.34 3.26 17.40 18.69 27.58 34.58 6.10 9.76 0.05 1.82 1.42 51 K C T 154.24 1.88 10.58 13.30 100.71 -31.33 -75.82 -0.34 80.62 4.94 14.44 23.43 27.25 31.45 3.87 9.37 0.03 2.92 1.68 52 Y C C 124.62 5.58 8.36 15.64 109.72 65.62 -100.98 98.94 79.03 11.54 9.43 44.18 17.09 18.75 2.62 6.65 0.01 8.13 2.57 53 K C T 141.21 3.15 10.97 15.73 99.06 155.56 -74.06 -23.04 77.39 13.71 8.90 28.60 19.28 31.17 1.61 6.99 0.02 10.66 1.68 54 D C T 110.81 2.52 12.98 16.37 99.32 44.35 -89.70 9.54 76.14 16.56 7.30 27.52 19.77 30.17 1.02 6.01 0.01 14.29 1.21 55 S C C 43.75 8.65 10.46 20.81 118.49 110.15 -93.34 141.47 67.50 28.52 3.98 48.50 12.85 5.57 0.67 3.42 0.00 27.76 1.22 56 R E E 120.07 7.94 12.94 22.36 123.92 -157.01 -115.93 140.90 40.30 58.48 1.22 33.03 4.90 2.09 0.28 0.92 0.00 57.72 1.06 57 E E E 90.80 8.99 14.15 24.35 123.10 -158.43 -114.23 139.99 19.50 80.15 0.35 16.41 2.45 0.59 0.10 0.22 0.00 79.79 0.43 58 Q E E 94.67 7.47 15.54 24.37 121.91 -150.02 -113.82 136.87 8.31 91.48 0.21 7.07 0.87 0.24 0.07 0.11 0.00 91.50 0.15 59 F E E 61.33 13.72 12.57 26.99 128.47 -174.46 -124.21 147.56 3.65 96.29 0.06 3.26 0.17 0.04 0.02 0.02 0.00 96.43 0.06 60 E E E 93.85 6.46 18.14 25.86 123.69 -157.86 -119.25 138.78 1.07 98.90 0.03 0.92 0.05 0.01 0.01 0.01 0.00 98.97 0.02 61 M E E 62.98 14.58 14.11 28.88 123.67 -158.25 -114.70 137.10 1.15 98.83 0.03 1.01 0.04 0.01 0.01 0.01 0.00 98.89 0.02 62 R E E 94.83 8.78 18.42 28.23 122.56 -166.59 -115.84 134.39 1.62 98.35 0.04 1.42 0.07 0.02 0.01 0.01 0.00 98.43 0.03 63 T E E 48.35 12.92 16.71 30.25 121.90 -160.51 -112.55 134.49 3.64 96.32 0.04 3.07 0.30 0.05 0.01 0.02 0.00 96.49 0.06 64 H E E 44.85 13.44 17.35 31.79 125.65 -172.12 -122.67 140.33 5.26 94.71 0.04 4.51 0.51 0.06 0.01 0.02 0.00 94.77 0.12 65 K E E 93.75 10.68 20.13 31.05 123.18 -154.78 -112.32 137.73 8.44 91.55 0.01 7.68 0.40 0.02 0.00 0.01 0.00 91.77 0.11 66 R E E 41.31 17.79 17.57 35.16 127.29 -169.02 -123.83 140.31 5.21 94.78 0.01 4.81 0.24 0.01 0.00 0.00 0.00 94.87 0.08 67 L E E 45.75 11.01 23.13 34.97 118.68 -152.04 -109.15 129.13 1.08 98.92 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.97 0.02 68 I E E 8.29 23.34 17.54 41.40 119.84 -164.88 -113.54 128.19 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 69 D E E 50.58 9.12 25.86 35.58 115.30 -158.67 -104.76 122.81 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 70 I E E 11.07 22.76 16.22 39.40 115.51 -162.38 -106.07 122.60 3.45 96.53 0.02 3.34 0.09 0.01 0.00 0.01 0.00 96.38 0.17 71 V E E 55.27 8.79 20.82 30.38 122.42 -167.44 -109.00 142.81 32.16 67.80 0.04 15.28 16.17 0.85 0.00 0.04 0.00 67.21 0.45 72 N C S 109.05 3.41 22.06 25.72 92.72 6.60 58.17 48.98 91.02 8.96 0.01 8.31 80.97 1.10 0.00 0.01 0.00 9.47 0.14 73 P C C 18.42 22.27 9.74 31.06 117.95 -169.49 -71.18 146.20 96.36 3.60 0.03 91.02 5.61 0.16 0.01 0.02 0.00 2.65 0.53 74 T C C 60.14 4.65 20.51 25.31 120.51 -126.32 -82.35 160.18 99.75 0.19 0.06 98.92 0.86 0.04 0.04 0.00 0.00 0.06 0.08 75 P H H 88.71 5.91 14.66 22.13 91.31 -106.81 -58.15 -36.54 3.29 0.00 96.70 0.24 0.33 2.51 96.21 0.69 0.00 0.00 0.00 76 Q H H 123.60 1.62 18.86 19.62 91.62 53.41 -65.01 -39.41 1.87 0.00 98.13 0.12 0.13 1.49 97.56 0.69 0.00 0.00 0.00 77 T H H 24.34 15.06 15.49 31.01 92.71 48.23 -66.30 -41.48 0.60 0.00 99.39 0.09 0.04 0.39 98.93 0.55 0.00 0.00 0.00 78 V H H 20.42 18.08 15.01 33.24 91.37 51.23 -62.68 -43.17 0.16 0.00 99.84 0.02 0.01 0.09 99.69 0.19 0.00 0.00 0.00 79 D H H 81.88 2.96 21.52 23.82 91.51 50.52 -63.72 -40.14 0.31 0.00 99.69 0.03 0.01 0.22 99.37 0.36 0.00 0.00 0.00 80 A H H 37.42 6.94 18.51 26.81 91.65 51.58 -64.74 -40.47 0.79 0.00 99.21 0.04 0.03 0.65 98.40 0.88 0.00 0.00 0.00 81 L H H 17.94 21.19 14.16 34.92 92.37 52.03 -66.01 -37.86 2.53 0.01 97.46 0.13 0.11 2.17 95.71 1.86 0.00 0.00 0.00 82 M H H 84.15 11.23 16.62 28.17 91.47 57.27 -69.12 -22.11 30.02 0.12 69.86 1.38 1.22 27.46 67.03 2.74 0.05 0.05 0.07 83 R C T 173.28 1.40 18.98 19.36 94.92 57.33 -86.09 -7.41 65.32 0.32 34.36 3.84 2.82 56.65 33.29 3.06 0.01 0.15 0.17 84 L C C 50.85 15.67 9.47 24.86 117.31 105.34 -79.58 141.38 93.21 2.58 4.21 58.83 28.83 5.35 3.58 0.96 0.00 1.12 1.31 85 D C C 119.41 1.44 19.18 20.06 109.49 -127.43 -90.23 113.78 93.38 5.89 0.74 88.73 2.97 1.82 0.39 0.27 0.00 3.46 2.35 86 L C C 46.64 19.38 8.99 26.68 120.26 -169.44 -100.18 140.16 96.62 3.33 0.05 91.31 5.57 0.10 0.02 0.02 0.00 1.54 1.45 87 P C C 59.39 6.40 14.95 23.04 116.04 -107.25 -65.41 153.32 98.90 0.76 0.34 96.72 1.41 0.95 0.07 0.18 0.00 0.40 0.27 88 S C T 92.83 1.91 14.00 17.09 111.19 -89.13 -63.18 138.83 98.21 0.78 1.01 1.98 8.01 88.29 0.10 0.86 0.00 0.51 0.25 89 G C T 55.76 2.25 15.11 17.90 96.63 23.28 86.20 -3.22 97.82 1.42 0.77 3.92 6.97 86.90 0.05 0.79 0.00 1.23 0.14 90 V C C 40.54 15.77 8.53 24.00 117.99 121.57 -93.91 133.97 71.72 27.99 0.29 66.03 4.31 0.54 0.05 0.27 0.00 27.58 1.22 91 D E E 103.61 2.67 18.03 21.40 114.57 -153.77 -104.32 124.27 30.12 69.68 0.20 28.58 1.07 0.29 0.05 0.13 0.00 68.84 1.05 92 I E E 60.75 16.54 9.66 25.44 123.56 -172.62 -119.35 135.05 24.34 75.59 0.07 23.97 0.44 0.07 0.02 0.03 0.00 74.74 0.73 93 E E E 127.99 2.74 16.45 20.28 119.31 -160.95 -108.64 133.33 28.00 71.93 0.07 28.24 0.31 0.08 0.03 0.03 0.00 69.86 1.45 94 I C C 76.75 13.65 11.90 25.43 115.04 -150.49 -98.04 126.21 97.76 2.24 0.00 97.87 0.06 0.01 0.00 0.00 0.00 2.04 0.02