# 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 26.57 20.17 16.52 36.20 121.54 -163.46 -111.08 131.19 97.60 2.40 0.00 97.76 0.07 0.00 0.00 0.00 0.00 2.15 0.02 1 K E E 91.23 8.14 22.10 30.79 120.89 -159.74 -113.08 131.13 17.72 82.27 0.01 17.86 0.16 0.02 0.00 0.01 0.00 81.53 0.41 2 I E E 16.76 21.81 14.79 36.64 121.09 -164.76 -115.49 129.33 4.56 95.43 0.01 4.45 0.11 0.01 0.00 0.00 0.00 95.35 0.08 3 R E E 95.35 8.00 23.95 32.40 118.83 -162.66 -112.07 126.70 2.31 97.69 0.00 2.17 0.07 0.00 0.00 0.00 0.00 97.73 0.02 4 I E E 10.00 23.56 16.22 40.13 120.82 -167.78 -114.81 129.29 1.27 98.73 0.00 1.30 0.02 0.00 0.00 0.00 0.00 98.67 0.02 5 T E E 45.13 9.00 25.95 35.61 119.36 -164.90 -114.48 127.71 0.85 99.15 0.00 0.82 0.01 0.00 0.00 0.00 0.00 99.15 0.02 6 L E E 7.24 24.57 16.77 41.75 124.08 -170.92 -117.72 135.37 1.38 98.62 0.00 1.38 0.02 0.00 0.00 0.00 0.00 98.57 0.03 7 T E E 52.04 9.05 25.63 35.14 126.24 -171.04 -123.02 141.26 4.70 95.29 0.01 4.44 0.17 0.01 0.00 0.00 0.00 95.23 0.15 8 S E E 11.61 19.42 14.63 34.38 137.60 160.89 -147.62 157.67 28.84 71.12 0.04 27.78 1.13 0.07 0.01 0.03 0.00 69.73 1.25 9 T C S 87.22 5.61 20.19 26.65 96.31 -144.52 -90.80 -10.78 99.33 0.65 0.03 2.99 96.04 0.52 0.00 0.01 0.00 0.39 0.05 10 K C C 97.23 5.91 19.26 26.17 110.36 76.66 -101.83 107.93 98.97 0.88 0.15 61.54 37.16 0.47 0.08 0.05 0.00 0.32 0.39 11 V H H 56.12 15.00 13.25 28.48 93.65 -165.47 -62.84 -37.32 3.46 0.01 96.53 0.77 0.54 1.92 94.82 1.93 0.00 0.00 0.00 12 K H H 140.73 1.58 20.77 21.35 91.78 54.81 -63.67 -40.38 2.12 0.01 97.87 0.23 0.19 1.56 95.50 2.51 0.00 0.00 0.00 13 Q H H 67.38 7.36 19.19 27.58 92.03 48.81 -66.24 -39.62 1.32 0.01 98.67 0.25 0.11 0.84 95.73 3.06 0.00 0.00 0.00 14 L H H 6.25 23.98 13.66 37.71 91.61 51.96 -63.78 -42.76 0.47 0.00 99.53 0.10 0.04 0.23 99.23 0.39 0.00 0.00 0.00 15 E H H 86.89 10.23 21.38 31.56 91.47 51.66 -63.12 -41.28 0.20 0.00 99.80 0.03 0.01 0.10 99.80 0.05 0.00 0.00 0.00 16 N H H 95.92 1.99 25.60 25.92 91.82 49.80 -64.63 -41.42 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 17 V H H 16.82 16.75 21.02 37.92 91.74 49.03 -64.33 -43.28 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 18 S H H 5.51 23.22 18.99 41.99 91.52 50.88 -63.67 -42.65 0.25 0.00 99.75 0.03 0.01 0.16 99.78 0.02 0.00 0.00 0.00 19 S H H 50.16 5.43 24.25 29.83 91.32 51.60 -63.38 -41.60 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 20 N H H 69.88 5.31 24.69 30.22 91.64 49.95 -64.96 -41.24 0.14 0.00 99.86 0.00 0.00 0.10 99.87 0.02 0.00 0.00 0.00 21 I H H 6.74 23.06 19.61 42.44 91.97 49.61 -64.03 -43.72 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 22 V H H 29.57 16.41 20.61 36.68 91.74 49.83 -62.98 -42.71 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 23 K H H 118.98 1.94 24.87 24.98 91.65 49.66 -63.65 -41.78 0.38 0.00 99.62 0.03 0.02 0.24 99.68 0.04 0.00 0.00 0.00 24 N H H 40.82 8.51 19.76 29.77 92.03 49.36 -65.16 -40.82 0.93 0.00 99.06 0.06 0.05 0.66 99.14 0.09 0.00 0.00 0.00 25 A H H 5.85 20.50 12.46 33.37 91.59 51.33 -63.92 -41.64 1.37 0.01 98.62 0.22 0.11 0.86 98.52 0.29 0.00 0.00 0.00 26 E H H 119.15 4.30 17.06 22.65 91.88 51.10 -64.30 -39.91 2.01 0.01 97.98 0.19 0.10 1.53 97.46 0.71 0.00 0.00 0.00 27 Q H H 137.07 1.18 16.88 17.14 91.12 52.91 -66.03 -29.81 8.11 0.01 91.87 0.23 0.27 7.64 91.25 0.59 0.01 0.00 0.01 28 H C T 88.98 8.16 12.59 22.26 96.38 44.63 -97.18 7.61 82.03 0.04 17.93 0.44 1.73 79.11 17.94 0.73 0.00 0.01 0.04 29 N C T 136.65 0.97 18.37 18.05 93.50 -116.72 59.62 39.81 99.85 0.01 0.14 1.73 1.15 97.03 0.05 0.02 0.00 0.00 0.00 30 L C C 27.67 19.54 8.51 27.00 119.60 155.12 -94.57 140.70 98.04 1.94 0.02 97.15 1.01 0.05 0.00 0.01 0.00 1.67 0.10 31 V E C 96.31 3.05 22.93 25.52 113.31 -129.14 -88.26 129.69 49.66 50.29 0.05 49.22 0.74 0.07 0.01 0.02 0.00 49.11 0.82 32 K E E 62.57 20.07 10.69 29.20 119.47 -159.87 -104.32 132.23 10.94 89.01 0.04 11.02 0.29 0.03 0.03 0.02 0.00 84.28 4.33 33 K E E 128.91 3.96 18.51 23.28 107.26 -171.58 -103.60 41.36 22.56 77.39 0.05 18.20 3.86 0.26 0.01 0.04 0.00 76.76 0.87 34 G E E 31.96 4.46 19.65 24.78 132.74 -54.11 114.01 -176.73 43.93 56.06 0.02 15.04 28.22 0.46 0.00 0.02 0.00 55.99 0.27 35 P C E 64.07 13.26 14.61 27.91 115.69 -53.20 -70.35 144.72 51.43 48.54 0.03 45.96 3.73 0.12 0.00 0.02 0.00 49.53 0.63 36 V E E 44.43 13.34 15.73 30.10 121.91 -159.71 -117.30 131.57 22.13 77.84 0.03 21.02 0.89 0.04 0.02 0.02 0.00 69.88 8.14 37 R E E 147.20 5.09 19.98 26.60 114.74 -129.41 -84.48 132.02 38.87 61.11 0.02 38.53 0.90 0.04 0.01 0.01 0.00 55.25 5.27 38 L C C 33.00 20.16 10.92 30.16 119.55 -138.65 -87.71 145.94 90.54 9.45 0.01 88.93 2.33 0.04 0.00 0.01 0.00 8.25 0.44 39 P C C 65.92 5.57 18.86 25.17 115.59 -103.39 -66.30 152.28 93.66 6.29 0.05 88.13 5.22 0.26 0.01 0.05 0.00 5.90 0.42 40 T C C 78.72 10.14 13.44 24.28 113.52 -119.29 -85.76 136.24 67.55 32.31 0.13 52.93 13.14 0.53 0.02 0.14 0.00 32.30 0.94 41 K E E 103.88 7.20 15.45 24.03 123.36 -152.22 -109.74 139.74 13.67 86.25 0.08 11.50 1.76 0.15 0.01 0.06 0.00 86.17 0.34 42 V E E 77.19 8.84 14.44 24.62 120.28 -153.51 -111.60 131.24 1.97 98.01 0.01 1.84 0.10 0.01 0.00 0.01 0.00 97.97 0.07 43 L E E 58.65 11.23 13.48 26.01 120.46 -165.04 -112.14 134.38 0.75 99.24 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.27 0.02 44 K E E 119.42 5.67 16.91 24.18 119.52 -158.36 -111.57 131.86 0.57 99.43 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 45 I E E 54.39 12.94 12.95 26.86 121.86 -167.01 -117.72 134.14 1.22 98.77 0.01 1.12 0.05 0.00 0.00 0.00 0.00 98.80 0.03 46 S E E 49.49 6.87 16.23 24.61 124.28 -162.75 -113.29 147.94 5.42 94.53 0.05 4.86 0.34 0.06 0.01 0.02 0.00 94.57 0.12 47 T E E 56.60 11.47 12.91 25.22 123.19 -159.00 -116.79 140.07 12.16 87.70 0.14 10.37 1.59 0.27 0.04 0.09 0.00 87.02 0.61 48 R E E 132.21 5.70 14.33 21.52 117.95 -139.17 -96.03 138.23 22.76 77.01 0.22 18.99 3.76 0.56 0.07 0.16 0.00 74.99 1.48 49 K C C 129.07 4.86 13.10 19.67 115.73 -131.71 -91.06 135.75 53.53 46.25 0.22 45.01 7.32 0.62 0.08 0.19 0.00 43.01 3.77 50 T C C 49.99 8.60 9.26 19.56 117.28 -120.84 -90.61 140.92 91.80 8.02 0.19 84.67 6.39 0.69 0.05 0.15 0.00 6.70 1.35 51 P C T 107.18 2.22 11.84 15.28 93.01 -132.20 -65.75 -21.44 95.89 1.33 2.77 8.53 26.60 60.55 0.24 2.76 0.00 0.95 0.37 52 N C T 106.84 2.94 9.99 14.14 98.12 54.41 -89.07 -2.68 94.25 1.80 3.95 7.04 28.47 58.65 0.41 3.63 0.00 1.03 0.76 53 G C S 44.66 3.68 9.92 15.25 109.40 -105.24 83.18 7.71 87.44 3.44 9.12 23.78 43.59 19.74 1.08 8.16 0.00 1.61 2.03 54 E C T 148.44 1.64 9.93 12.72 105.75 57.02 -78.51 100.51 86.53 1.82 11.65 11.06 18.86 56.04 1.33 10.73 0.01 1.06 0.91 55 G C T 61.75 1.23 11.40 12.74 98.68 8.16 81.80 -0.10 86.74 1.77 11.49 13.48 20.19 52.66 1.30 10.55 0.00 1.00 0.81 56 S C C 61.76 4.41 8.96 15.30 118.40 117.23 -89.44 148.16 86.30 5.19 8.51 44.63 29.70 12.19 1.35 7.34 0.00 2.92 1.86 57 K C C 147.50 2.86 12.14 16.51 107.40 -125.59 -85.25 96.28 81.12 15.38 3.51 57.20 15.84 7.87 0.63 3.25 0.00 12.91 2.31 58 T C C 67.13 6.40 11.24 19.44 124.60 137.53 -109.29 146.27 58.79 40.41 0.80 49.54 6.97 1.37 0.22 0.66 0.00 38.14 3.10 59 W E E 124.56 8.72 11.37 21.49 119.54 -136.36 -100.23 139.07 30.70 69.14 0.16 27.19 2.61 0.41 0.04 0.13 0.00 67.94 1.69 60 E E E 97.74 6.61 14.31 22.41 119.64 -157.67 -108.72 137.61 17.20 82.74 0.05 14.03 2.55 0.22 0.01 0.04 0.00 82.80 0.35 61 T E E 73.89 7.39 14.02 22.86 121.32 -131.36 -110.44 136.37 7.35 92.64 0.01 6.67 0.38 0.03 0.00 0.01 0.00 92.77 0.15 62 Y E E 69.68 11.90 12.62 25.79 127.66 -171.79 -126.01 146.93 2.35 97.65 0.00 2.21 0.05 0.00 0.00 0.00 0.00 97.69 0.05 63 E E E 103.88 6.02 16.88 24.30 120.52 -147.80 -107.86 135.10 1.41 98.59 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.68 0.02 64 M E E 54.10 14.34 13.38 28.19 126.73 -168.27 -120.76 143.55 1.93 98.07 0.00 1.75 0.05 0.00 0.00 0.00 0.00 98.18 0.02 65 R E E 106.21 7.64 18.23 26.96 117.84 -139.89 -103.25 130.63 1.54 98.46 0.00 1.41 0.04 0.00 0.00 0.00 0.00 98.53 0.02 66 I E E 46.11 13.97 15.77 30.64 119.76 -161.48 -111.72 128.97 2.50 97.49 0.00 2.28 0.10 0.01 0.00 0.00 0.00 97.56 0.05 67 H E E 53.75 11.93 17.63 30.74 122.42 -166.04 -114.19 136.87 4.24 95.75 0.01 3.78 0.25 0.02 0.00 0.00 0.00 95.87 0.08 68 K E E 86.31 11.70 18.86 30.77 126.18 -167.93 -123.10 139.37 7.34 92.65 0.01 6.67 0.37 0.01 0.00 0.00 0.00 92.86 0.08 69 R E E 56.03 15.60 17.34 33.06 123.81 -160.67 -116.86 136.61 4.25 95.75 0.00 3.97 0.15 0.01 0.00 0.00 0.00 95.81 0.06 70 Y E E 76.38 10.86 21.39 32.93 121.18 -160.28 -115.41 131.64 0.98 99.02 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.06 0.02 71 I E E 13.60 21.27 17.17 38.72 121.03 -165.18 -116.34 128.49 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.01 72 D E E 56.69 8.49 24.90 33.86 115.67 -157.06 -103.30 124.75 0.68 99.32 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 73 L E E 13.14 22.64 14.52 37.18 120.35 -166.24 -111.82 131.44 9.02 90.79 0.20 8.46 0.45 0.12 0.09 0.09 0.00 90.45 0.34 74 E E E 97.23 6.43 22.33 29.06 113.04 -156.82 -100.25 118.12 48.19 51.52 0.30 30.22 17.70 1.28 0.08 0.21 0.00 49.61 0.90 75 A C S 33.94 12.75 15.88 29.26 125.73 31.25 -125.18 148.08 87.31 12.18 0.52 30.85 54.94 1.49 0.26 0.21 0.00 11.65 0.60 76 P C C 56.48 8.64 17.00 26.68 108.74 -95.17 -68.19 136.58 92.01 2.43 5.56 84.80 4.86 2.57 4.53 0.98 0.00 1.79 0.47 77 V H H 76.97 9.13 14.45 24.36 96.12 -136.94 -66.17 -33.78 41.75 0.62 57.64 27.57 7.23 7.11 54.89 2.68 0.01 0.27 0.26 78 Q H H 110.32 2.87 18.71 21.45 93.49 59.75 -66.00 -35.97 19.18 0.41 80.41 9.92 3.36 6.38 77.06 2.87 0.04 0.21 0.14 79 I H H 33.29 13.94 15.47 30.03 93.48 51.66 -66.59 -41.18 8.05 0.42 91.53 4.44 1.20 2.84 88.17 2.94 0.01 0.32 0.07 80 V H H 28.31 16.99 14.61 31.51 92.19 52.37 -63.75 -41.79 3.07 0.22 96.71 1.50 0.44 1.24 94.57 2.02 0.01 0.20 0.02 81 K H H 115.50 3.64 19.41 23.47 92.09 52.18 -64.28 -39.64 2.79 0.21 97.00 0.99 0.37 1.51 93.77 3.11 0.01 0.22 0.02 82 R H H 117.16 5.40 18.98 25.08 92.52 51.42 -66.42 -38.80 4.14 0.25 95.61 1.08 0.48 2.58 91.50 4.05 0.02 0.25 0.03 83 I H H 23.79 20.06 14.00 33.44 93.43 50.08 -69.14 -33.34 6.49 0.41 93.10 1.45 0.79 4.18 88.68 4.43 0.05 0.36 0.06 84 T H H 57.92 12.38 15.85 28.31 93.58 58.77 -73.91 -19.49 27.00 0.97 72.03 3.91 2.80 19.81 68.14 4.25 0.16 0.66 0.28 85 Q C T 131.32 1.89 19.29 20.64 96.39 56.20 -88.38 -5.45 61.34 1.72 36.93 9.51 5.24 44.42 33.35 5.71 0.08 1.14 0.56 86 I C C 50.40 15.84 9.95 25.63 117.49 106.17 -83.66 136.44 90.62 7.63 1.74 62.65 26.20 2.31 1.32 0.58 0.00 5.39 1.55 87 T C C 100.25 2.52 19.94 22.84 113.70 -143.06 -99.55 122.70 82.31 17.07 0.62 79.80 1.97 0.76 0.34 0.23 0.00 14.19 2.71 88 I C C 41.29 20.13 10.04 28.83 120.84 -167.53 -111.34 129.89 64.20 35.66 0.15 62.50 2.36 0.10 0.12 0.05 0.00 14.02 20.86 89 E C C 106.29 4.48 18.74 23.78 117.75 -125.99 -77.54 148.05 99.31 0.67 0.02 98.81 0.66 0.05 0.00 0.00 0.00 0.36 0.11 90 P C T 92.98 5.34 15.35 22.27 111.00 -85.91 -60.95 138.70 99.10 0.51 0.39 0.92 3.65 94.71 0.03 0.27 0.00 0.34 0.09 91 G C T 45.59 4.46 17.80 23.23 96.80 22.81 87.00 -4.35 98.68 1.00 0.33 1.51 3.76 93.53 0.02 0.27 0.00 0.85 0.06 92 V C C 29.09 17.78 11.44 29.39 120.38 117.10 -97.20 135.40 60.47 39.44 0.10 53.99 5.19 0.33 0.02 0.09 0.00 39.54 0.84 93 D E E 85.48 5.03 21.83 27.60 118.65 -151.99 -106.52 131.01 15.40 84.55 0.04 14.75 0.44 0.07 0.01 0.02 0.00 84.42 0.29 94 V E E 27.96 21.46 12.36 33.15 125.72 -172.54 -127.14 137.94 7.93 92.06 0.01 7.72 0.11 0.01 0.00 0.00 0.00 92.09 0.06 95 E E E 102.90 4.77 23.42 28.63 120.72 -162.49 -114.46 132.15 3.87 96.13 0.00 3.84 0.06 0.00 0.00 0.00 0.00 96.06 0.04 96 V E E 30.43 20.88 12.54 32.87 121.92 -166.16 -118.03 131.45 4.90 95.10 0.00 5.03 0.05 0.00 0.00 0.00 0.00 94.86 0.05 97 V E E 73.66 5.26 20.55 26.61 121.16 -168.20 -117.37 133.19 5.74 94.25 0.01 5.77 0.10 0.01 0.00 0.00 0.00 93.96 0.16 98 V E E 60.51 13.58 11.52 25.44 117.24 -149.70 -100.61 128.18 18.68 81.28 0.03 19.21 0.17 0.03 0.01 0.01 0.00 79.92 0.64 99 A C C 56.94 6.94 15.94 23.95 114.23 -152.62 -90.10 135.39 99.24 0.75 0.00 99.26 0.06 0.01 0.00 0.00 0.00 0.65 0.01