# 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 80.44 9.89 16.27 26.84 115.07 -153.67 -102.30 125.70 99.39 0.61 0.00 99.46 0.06 0.01 0.00 0.00 0.00 0.45 0.01 1 I E E 57.47 12.23 14.58 27.82 121.04 -165.23 -110.65 134.41 45.99 53.99 0.03 45.14 0.52 0.06 0.01 0.02 0.00 53.74 0.51 2 K E E 97.46 8.27 18.54 27.80 121.88 -155.51 -111.82 135.05 12.80 87.18 0.02 11.74 0.67 0.05 0.00 0.01 0.00 87.23 0.29 3 I E E 19.68 20.66 14.67 35.42 123.18 -165.36 -119.28 133.17 3.25 96.74 0.00 3.20 0.08 0.00 0.00 0.00 0.00 96.64 0.07 4 R E E 97.71 8.38 23.64 32.53 118.78 -159.36 -110.25 128.04 1.78 98.22 0.00 1.67 0.06 0.00 0.00 0.00 0.00 98.25 0.02 5 I E E 9.02 23.78 16.60 40.76 121.18 -166.64 -114.88 129.46 0.99 99.01 0.00 1.02 0.01 0.00 0.00 0.00 0.00 98.96 0.01 6 T E E 44.07 9.35 26.06 36.06 119.51 -163.73 -113.73 127.89 0.60 99.40 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 7 L E E 5.56 25.09 17.35 42.95 123.14 -169.50 -117.43 135.56 0.99 99.00 0.00 1.01 0.01 0.00 0.00 0.00 0.00 98.95 0.02 8 T E E 50.35 9.46 26.04 35.90 126.68 -169.97 -123.05 141.36 3.77 96.22 0.01 3.59 0.12 0.01 0.00 0.00 0.00 96.15 0.13 9 S E E 10.03 20.26 14.68 35.20 138.21 161.60 -147.76 158.38 27.93 72.04 0.03 27.09 0.95 0.06 0.01 0.02 0.00 70.74 1.14 10 T C S 87.02 5.48 20.62 26.86 95.40 -141.91 -88.99 -12.90 99.35 0.63 0.03 2.66 96.25 0.65 0.00 0.01 0.00 0.39 0.04 11 K C C 94.42 6.39 19.37 26.78 110.22 72.95 -104.04 104.61 99.04 0.81 0.15 62.79 35.80 0.61 0.08 0.05 0.00 0.31 0.36 12 V H H 54.74 15.41 13.45 29.00 93.74 -168.29 -63.13 -37.44 3.14 0.01 96.85 0.72 0.49 1.70 95.48 1.60 0.00 0.00 0.00 13 K H H 140.73 1.59 21.17 21.73 91.72 54.58 -63.84 -40.35 1.81 0.00 98.19 0.18 0.15 1.34 96.27 2.05 0.00 0.00 0.00 14 Q H H 66.00 7.78 19.43 28.20 92.12 48.64 -66.22 -39.62 1.02 0.00 98.97 0.18 0.07 0.66 96.70 2.38 0.00 0.00 0.00 15 L H H 5.64 24.37 13.90 38.39 91.60 51.88 -63.72 -42.88 0.29 0.00 99.71 0.05 0.02 0.14 99.55 0.23 0.00 0.00 0.00 16 E H H 86.48 10.24 21.69 31.84 91.48 51.57 -63.05 -41.28 0.13 0.00 99.87 0.02 0.00 0.07 99.88 0.03 0.00 0.00 0.00 17 N H H 95.02 2.09 25.74 26.29 91.70 49.79 -64.58 -41.44 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 18 V H H 15.26 17.34 21.08 38.53 91.74 49.11 -64.31 -43.30 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 19 S H H 5.65 23.19 19.32 42.25 91.47 50.83 -63.61 -42.63 0.19 0.00 99.81 0.02 0.01 0.12 99.84 0.02 0.00 0.00 0.00 20 S H H 50.41 5.38 24.44 29.94 91.28 51.61 -63.56 -41.63 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.01 0.00 0.00 0.00 21 N H H 67.80 5.85 24.63 30.80 91.69 49.91 -65.09 -41.16 0.19 0.00 99.81 0.01 0.00 0.14 99.82 0.02 0.00 0.00 0.00 22 I H H 6.02 23.52 19.62 42.93 91.92 49.53 -64.04 -43.72 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.03 0.00 0.00 0.00 23 V H H 29.73 16.25 20.75 36.71 91.69 49.87 -63.03 -42.74 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 24 K H H 118.16 1.97 24.96 25.10 91.64 49.60 -63.66 -41.65 0.34 0.00 99.66 0.03 0.01 0.21 99.71 0.04 0.00 0.00 0.00 25 N H H 38.48 9.06 19.70 30.27 92.03 49.48 -65.12 -40.75 0.80 0.00 99.20 0.05 0.04 0.55 99.26 0.09 0.00 0.00 0.00 26 A H H 6.06 20.57 12.59 33.52 91.49 51.42 -63.86 -41.50 1.29 0.00 98.70 0.19 0.10 0.81 98.60 0.29 0.00 0.00 0.00 27 E H H 120.11 4.16 17.18 22.60 91.84 51.25 -64.30 -39.82 2.03 0.01 97.97 0.19 0.10 1.54 97.51 0.66 0.00 0.00 0.00 28 Q H H 136.45 1.24 16.99 17.39 91.06 52.75 -66.18 -29.98 8.55 0.01 91.43 0.25 0.29 7.99 90.89 0.56 0.01 0.00 0.01 29 H C T 85.75 8.72 12.56 22.72 96.52 44.98 -97.17 7.59 83.55 0.04 16.41 0.46 1.81 80.46 16.53 0.69 0.00 0.01 0.04 30 N C T 136.58 0.98 18.46 18.12 93.54 -116.67 59.69 39.20 99.80 0.01 0.19 1.77 1.27 96.85 0.07 0.03 0.00 0.00 0.00 31 L C C 27.56 19.52 8.63 27.16 119.27 153.90 -95.26 139.92 97.95 2.02 0.03 96.80 1.25 0.07 0.00 0.01 0.00 1.75 0.12 32 V C C 95.30 3.17 22.96 25.68 112.77 -131.69 -88.33 127.88 50.44 49.50 0.06 49.76 0.86 0.08 0.01 0.03 0.00 48.35 0.91 33 K E E 59.53 20.46 10.54 29.39 120.17 -162.56 -106.47 133.19 12.17 87.78 0.05 12.16 0.33 0.04 0.03 0.02 0.00 82.35 5.07 34 K E E 134.03 3.48 18.97 23.09 106.12 -173.76 -102.88 16.50 25.32 74.63 0.05 20.13 4.79 0.30 0.01 0.04 0.00 73.79 0.94 35 G E E 30.88 4.72 19.68 25.12 134.06 -56.41 118.64 -175.16 47.23 52.76 0.02 13.85 32.87 0.48 0.00 0.02 0.00 52.51 0.27 36 P C C 65.30 12.22 15.35 27.87 115.64 -49.08 -69.97 145.24 54.82 45.16 0.02 49.43 3.45 0.12 0.00 0.02 0.00 46.44 0.54 37 V E E 39.42 14.77 15.35 30.89 122.25 -159.47 -117.06 132.36 20.55 79.42 0.03 19.64 0.74 0.04 0.02 0.02 0.00 70.50 9.05 38 R E E 146.60 4.95 20.78 27.13 114.73 -132.06 -87.97 131.13 37.86 62.12 0.02 37.58 0.85 0.03 0.01 0.01 0.00 56.41 5.11 39 L C C 32.42 20.53 11.28 30.94 118.46 -136.15 -85.07 143.92 90.14 9.85 0.01 88.41 2.29 0.04 0.00 0.01 0.00 8.87 0.38 40 P C C 59.84 6.92 18.24 26.20 115.43 -103.43 -66.20 151.59 92.75 7.19 0.07 87.60 4.75 0.30 0.01 0.05 0.00 6.82 0.46 41 T C C 84.67 8.66 14.28 23.98 106.19 -130.33 -87.17 34.58 66.99 32.86 0.14 48.14 17.69 0.71 0.02 0.15 0.00 32.33 0.95 42 K E E 105.04 6.59 15.82 23.75 123.95 75.29 -111.69 144.23 14.18 85.73 0.09 11.54 2.31 0.21 0.01 0.07 0.00 85.49 0.35 43 V E E 76.18 9.19 14.49 24.93 119.98 -150.09 -111.23 130.41 2.23 97.75 0.02 2.10 0.12 0.01 0.01 0.01 0.00 97.67 0.08 44 L E E 56.33 11.73 13.39 26.32 120.56 -163.60 -111.43 134.17 0.96 99.04 0.00 0.87 0.04 0.00 0.00 0.00 0.00 99.06 0.02 45 K E E 120.44 5.33 17.25 24.08 118.45 -155.14 -107.50 130.31 0.84 99.16 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.22 0.01 46 I E E 53.92 13.31 12.59 26.76 121.41 -166.26 -115.96 133.89 1.54 98.45 0.01 1.40 0.06 0.01 0.00 0.00 0.00 98.50 0.03 47 S E E 50.17 6.57 16.55 24.61 125.10 -168.19 -116.04 149.03 4.43 95.53 0.04 3.97 0.27 0.05 0.01 0.02 0.00 95.59 0.10 48 T E E 57.22 11.48 12.99 25.33 125.17 -159.76 -120.13 141.82 8.77 91.14 0.09 7.67 0.95 0.15 0.03 0.05 0.00 90.72 0.44 49 R E E 126.23 6.37 14.17 22.03 118.13 -136.60 -98.27 137.48 18.59 81.26 0.16 15.65 3.00 0.42 0.04 0.11 0.00 79.71 1.07 50 K C E 130.03 4.64 13.50 19.80 116.16 -134.58 -92.32 135.36 52.78 47.03 0.19 44.42 7.37 0.58 0.06 0.16 0.00 44.51 2.89 51 T C C 48.91 8.94 9.29 19.87 117.76 -120.09 -88.59 142.38 91.74 8.08 0.18 84.97 6.04 0.65 0.05 0.14 0.00 6.94 1.22 52 P C T 105.42 2.40 11.90 15.64 93.36 -129.50 -65.45 -21.81 95.78 1.32 2.89 8.72 26.59 60.22 0.24 2.92 0.00 0.94 0.36 53 N C T 107.09 2.95 10.25 14.37 98.57 52.96 -89.39 -2.01 94.29 1.65 4.06 6.76 28.72 58.72 0.41 3.75 0.00 0.94 0.70 54 G C S 44.39 3.82 10.13 15.59 109.13 -105.86 81.95 3.68 87.05 3.26 9.69 21.90 45.15 19.78 1.17 8.54 0.00 1.54 1.91 55 E C T 146.42 1.80 10.16 13.19 105.75 60.13 -78.92 108.11 84.91 1.80 13.29 10.90 18.16 55.20 1.47 12.31 0.01 1.05 0.89 56 G C T 60.72 1.41 11.67 13.32 98.63 9.29 82.26 -0.58 84.82 1.96 13.22 13.47 19.15 51.75 1.49 12.11 0.00 1.14 0.88 57 S C C 59.06 4.98 8.99 15.90 117.42 121.29 -88.48 147.15 84.53 5.40 10.06 46.54 25.41 12.67 1.57 8.86 0.00 3.21 1.74 58 K C C 148.22 2.86 12.32 16.66 106.71 -129.42 -86.25 81.63 80.13 16.02 3.85 54.94 17.02 8.15 0.66 3.51 0.00 13.81 1.93 59 T C C 69.10 5.95 11.69 19.42 124.10 138.65 -110.03 147.12 55.54 43.75 0.71 46.36 7.31 1.30 0.17 0.59 0.00 42.28 1.99 60 W E E 122.23 9.43 11.20 21.84 121.18 -140.80 -103.59 140.09 22.41 77.49 0.10 20.27 1.57 0.23 0.03 0.07 0.00 76.39 1.44 61 E E E 96.57 6.59 14.55 22.68 119.66 -153.73 -108.74 136.99 10.84 89.13 0.03 9.51 0.80 0.07 0.01 0.02 0.00 89.32 0.27 62 T E E 73.96 7.92 14.00 23.27 119.82 -136.47 -106.62 135.00 6.31 93.68 0.01 5.81 0.25 0.01 0.00 0.00 0.00 93.81 0.12 63 Y E E 68.39 11.92 12.78 25.98 126.24 -172.35 -123.39 145.18 3.75 96.25 0.00 3.55 0.07 0.00 0.00 0.00 0.00 96.31 0.06 64 E E E 104.49 6.06 17.08 24.49 121.01 -146.94 -108.57 135.82 2.21 97.79 0.00 2.00 0.06 0.00 0.00 0.00 0.00 97.90 0.03 65 M E E 51.75 14.87 13.38 28.61 127.28 -168.66 -122.23 144.82 2.22 97.77 0.00 2.04 0.06 0.00 0.00 0.00 0.00 97.88 0.02 66 R E E 106.81 7.67 18.67 27.33 117.99 -140.24 -103.50 130.93 1.51 98.49 0.00 1.38 0.04 0.00 0.00 0.00 0.00 98.56 0.02 67 I E E 43.50 14.64 15.91 31.31 119.80 -161.52 -112.08 129.40 2.51 97.49 0.00 2.29 0.10 0.01 0.00 0.00 0.00 97.54 0.05 68 H E E 50.78 12.23 17.97 31.37 121.74 -164.22 -111.86 135.15 4.94 95.05 0.01 4.46 0.27 0.02 0.00 0.00 0.00 95.15 0.09 69 K E E 85.91 12.15 19.07 31.27 126.00 -167.12 -122.27 139.18 8.47 91.52 0.01 7.69 0.47 0.02 0.00 0.00 0.00 91.72 0.09 70 R E E 53.97 15.85 17.83 33.74 124.72 -161.57 -118.61 137.61 4.74 95.26 0.00 4.46 0.17 0.01 0.00 0.00 0.00 95.28 0.07 71 Y E E 72.28 11.42 21.82 33.82 120.91 -157.55 -114.15 131.11 1.03 98.97 0.00 0.94 0.04 0.00 0.00 0.00 0.00 99.00 0.02 72 I E E 11.49 21.99 17.52 39.81 120.89 -164.96 -115.87 128.30 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 73 D E E 57.19 8.72 25.23 34.38 115.31 -155.69 -103.48 124.90 0.76 99.23 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.01 74 L E E 12.74 22.79 14.27 37.05 119.20 -164.73 -109.70 131.00 11.95 87.85 0.19 11.35 0.51 0.12 0.08 0.09 0.00 87.38 0.48 75 E C E 98.34 6.46 21.66 28.45 108.98 -156.20 -96.14 98.21 63.27 36.42 0.32 29.92 32.22 2.00 0.07 0.24 0.00 34.78 0.77 76 A C S 37.53 10.77 17.00 28.73 123.33 31.50 -122.69 136.06 91.56 7.86 0.58 23.68 65.62 2.17 0.27 0.23 0.00 7.53 0.50 77 P C C 51.74 11.06 16.14 28.02 105.96 -116.39 -67.38 128.38 87.96 1.55 10.48 79.42 4.75 3.62 9.32 1.47 0.00 1.02 0.40 78 V H H 77.52 8.34 15.75 24.87 95.55 -127.34 -65.74 -35.21 33.42 0.41 66.17 20.57 5.90 7.52 62.99 2.65 0.01 0.17 0.19 79 Q H H 104.83 3.35 19.63 22.81 93.44 56.32 -66.50 -37.45 15.10 0.28 84.63 7.28 2.66 5.81 81.29 2.67 0.04 0.14 0.10 80 I H H 24.47 16.24 15.86 32.38 93.11 50.86 -65.95 -41.71 6.01 0.21 93.78 3.02 0.88 2.39 90.87 2.63 0.01 0.15 0.04 81 V H H 25.66 17.75 15.69 33.21 92.19 52.22 -63.24 -42.06 2.08 0.09 97.83 0.88 0.28 0.93 96.32 1.48 0.00 0.08 0.01 82 K H H 117.36 3.35 20.65 24.13 91.97 51.34 -64.26 -39.97 1.89 0.07 98.04 0.54 0.22 1.10 95.94 2.11 0.01 0.07 0.01 83 R H H 110.12 6.51 19.72 26.85 92.19 50.33 -66.53 -39.21 2.78 0.09 97.12 0.58 0.28 1.84 94.08 3.11 0.01 0.09 0.01 84 I H H 15.27 22.17 14.28 35.84 92.91 50.64 -67.27 -35.64 4.58 0.15 95.27 0.77 0.46 3.17 91.26 4.16 0.02 0.13 0.02 85 T H H 57.39 12.66 16.70 29.37 92.64 58.44 -72.31 -20.02 24.31 0.38 75.31 2.04 1.81 19.87 71.81 4.00 0.11 0.23 0.13 86 Q C T 130.26 1.93 20.10 21.41 96.04 55.10 -89.58 -5.15 60.59 0.92 38.49 5.57 4.10 48.48 35.77 5.11 0.07 0.54 0.36 87 I C C 43.85 17.11 10.06 26.84 117.04 107.10 -81.77 137.34 92.40 6.53 1.07 62.81 28.55 1.74 0.78 0.36 0.00 4.39 1.38 88 T C C 99.04 2.59 21.12 23.91 113.37 -144.14 -98.55 121.74 83.02 16.61 0.37 81.45 1.52 0.50 0.19 0.14 0.00 13.70 2.50 89 I C C 35.71 21.24 10.32 30.18 121.02 -168.04 -112.34 133.09 60.44 39.45 0.11 59.67 1.81 0.06 0.09 0.03 0.00 14.15 24.19 90 E C C 102.14 4.86 19.42 24.75 117.93 -123.24 -76.61 149.18 99.39 0.60 0.01 99.04 0.50 0.04 0.00 0.00 0.00 0.32 0.09 91 P C T 91.36 5.68 15.89 23.06 110.88 -84.74 -60.23 138.81 99.27 0.39 0.35 0.65 3.15 95.63 0.02 0.23 0.00 0.25 0.07 92 G C T 43.25 4.95 18.20 24.27 96.34 22.89 86.83 -5.15 98.91 0.79 0.30 1.13 3.24 94.69 0.01 0.23 0.00 0.66 0.05 93 V C C 26.38 18.29 11.89 30.34 120.45 115.51 -97.40 135.40 59.23 40.68 0.08 53.47 4.60 0.28 0.01 0.08 0.00 40.70 0.85 94 D E E 83.91 5.32 22.47 28.52 118.66 -152.16 -108.18 130.11 15.78 84.18 0.04 15.14 0.42 0.07 0.01 0.02 0.00 84.03 0.30 95 V E E 23.70 22.26 12.75 34.34 126.21 -171.52 -126.77 137.25 8.78 91.21 0.01 8.58 0.12 0.01 0.00 0.00 0.00 91.22 0.07 96 E E E 100.63 4.96 24.26 29.58 120.56 -161.49 -113.05 131.47 4.73 95.26 0.00 4.69 0.07 0.01 0.00 0.00 0.00 95.18 0.05 97 V E E 25.62 21.86 12.82 34.11 122.14 -166.53 -117.54 132.34 6.01 93.99 0.00 6.11 0.07 0.01 0.00 0.00 0.00 93.75 0.07 98 V E E 72.19 5.40 21.55 27.62 121.55 -168.41 -118.18 132.94 6.83 93.16 0.01 6.80 0.13 0.01 0.00 0.00 0.00 92.87 0.19 99 V E E 54.71 14.80 11.63 26.53 116.81 -148.07 -99.70 128.56 20.28 79.68 0.03 20.74 0.17 0.02 0.01 0.01 0.00 78.41 0.62 100 A C C 57.17 6.73 16.57 24.31 114.13 -149.67 -88.42 138.52 99.27 0.73 0.00 99.28 0.07 0.01 0.00 0.00 0.00 0.63 0.01