# 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 104.77 7.60 14.49 23.03 113.38 -153.54 -93.30 126.56 99.88 0.10 0.01 99.81 0.08 0.04 0.00 0.00 0.00 0.05 0.01 1 A C C 73.62 5.44 12.70 19.89 111.95 -134.76 -76.05 136.46 95.76 2.57 1.67 75.12 3.12 17.65 0.40 1.03 0.00 2.12 0.57 2 G C C 47.62 4.34 15.12 20.59 107.41 18.96 88.50 -3.70 91.57 7.28 1.15 42.49 22.25 26.70 0.10 1.27 0.00 6.65 0.54 3 Q C C 73.44 11.11 13.91 25.76 120.10 134.47 -97.73 141.84 72.07 27.26 0.67 56.51 12.10 1.89 0.08 0.69 0.00 28.07 0.66 4 K E E 93.73 9.44 19.64 29.63 123.06 -149.14 -111.50 138.32 20.20 79.74 0.07 18.67 1.29 0.09 0.01 0.04 0.00 79.27 0.61 5 I E E 12.01 22.43 15.81 38.44 122.53 -160.66 -117.51 133.13 2.74 97.26 0.00 2.66 0.08 0.00 0.00 0.00 0.00 97.19 0.08 6 R E E 87.22 9.42 24.96 34.66 118.31 -159.77 -111.79 127.10 0.78 99.22 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.23 0.01 7 I E E 6.50 24.64 17.31 42.47 120.70 -166.48 -114.99 128.72 0.37 99.63 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.61 0.00 8 R E E 83.79 9.51 26.67 36.61 117.52 -162.04 -109.44 124.25 0.36 99.64 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.00 9 L E E 4.32 25.87 17.21 43.81 123.23 -169.97 -116.20 136.13 1.04 98.96 0.00 1.04 0.01 0.00 0.00 0.00 0.00 98.93 0.02 10 R E E 96.13 8.75 26.96 36.22 123.60 -165.66 -119.17 135.42 3.63 96.36 0.00 3.41 0.14 0.01 0.00 0.00 0.00 96.32 0.13 11 A E E 8.29 22.21 14.26 36.38 136.73 164.77 -144.46 158.48 29.31 70.65 0.04 28.41 0.82 0.07 0.01 0.03 0.00 69.72 0.94 12 Y C S 128.09 6.65 21.21 28.55 95.12 -136.11 -79.61 -23.46 99.11 0.87 0.02 5.78 93.09 0.46 0.00 0.01 0.00 0.60 0.06 13 D C C 64.39 7.26 19.29 27.58 114.30 54.51 -116.37 110.35 99.25 0.67 0.09 71.09 27.99 0.30 0.04 0.03 0.00 0.25 0.30 14 H H H 88.66 13.59 14.15 27.97 93.14 -162.99 -62.80 -34.94 1.90 0.00 98.10 0.25 0.29 1.16 97.86 0.43 0.00 0.00 0.00 15 E H H 135.06 1.51 21.57 21.89 91.77 55.39 -64.43 -40.07 0.91 0.00 99.09 0.08 0.08 0.68 98.78 0.38 0.00 0.00 0.00 16 V H H 38.51 10.92 18.83 30.83 92.46 47.67 -65.74 -41.67 0.38 0.00 99.61 0.06 0.03 0.23 99.32 0.36 0.00 0.00 0.00 17 I H H 4.45 25.12 14.77 40.16 91.20 50.13 -63.06 -43.66 0.17 0.00 99.83 0.03 0.01 0.08 99.82 0.06 0.00 0.00 0.00 18 D H H 63.63 9.73 23.08 32.80 91.39 50.52 -63.36 -41.77 0.19 0.00 99.81 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 19 S H H 55.05 3.06 26.25 28.47 91.54 49.44 -64.20 -42.26 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.02 0.00 0.00 0.00 20 S H H 7.65 19.27 21.05 40.37 91.76 49.88 -64.12 -42.17 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 21 A H H 6.23 23.19 19.87 42.70 91.14 51.83 -62.66 -42.41 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 22 R H H 133.95 4.12 26.02 30.65 91.34 51.37 -63.51 -41.38 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 23 K H H 84.37 8.26 25.31 33.88 91.66 50.06 -64.57 -42.38 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 24 I H H 2.09 26.55 20.44 47.18 91.37 48.99 -63.89 -43.69 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 25 V H H 25.13 17.70 22.09 39.23 91.39 49.82 -62.65 -43.03 0.16 0.00 99.84 0.02 0.01 0.09 99.88 0.01 0.00 0.00 0.00 26 D H H 80.00 2.62 26.49 27.86 91.47 49.94 -63.92 -41.86 0.46 0.00 99.53 0.06 0.02 0.27 99.62 0.03 0.00 0.00 0.00 27 T H H 20.03 13.97 20.84 35.47 91.87 49.62 -64.53 -42.68 0.99 0.00 99.00 0.08 0.06 0.70 99.06 0.10 0.00 0.00 0.00 28 V H H 5.12 24.28 14.99 39.40 91.61 50.20 -63.65 -42.54 1.54 0.01 98.45 0.25 0.15 0.96 98.32 0.32 0.00 0.00 0.00 29 T H H 83.50 6.14 19.39 26.61 91.74 50.30 -63.81 -39.91 2.67 0.02 97.31 0.40 0.18 1.94 96.35 1.10 0.00 0.01 0.00 30 R H H 162.09 2.26 19.72 22.00 90.92 53.59 -66.12 -28.99 10.22 0.03 89.76 0.38 0.42 9.48 88.72 0.95 0.02 0.01 0.01 31 T C T 43.22 13.81 14.27 28.57 94.42 50.09 -89.80 -1.56 62.88 0.07 37.05 0.62 1.79 59.47 36.72 1.31 0.01 0.02 0.06 32 G C T 53.06 2.06 21.63 23.02 97.77 -103.34 88.08 11.38 99.81 0.03 0.16 4.87 2.40 92.61 0.06 0.04 0.00 0.02 0.01 33 A C C 12.97 22.26 9.67 31.03 119.87 143.17 -81.06 148.22 98.33 1.65 0.02 97.01 1.37 0.07 0.00 0.01 0.00 1.47 0.08 34 K E E 133.66 2.77 24.33 26.95 113.07 -128.66 -91.49 128.42 21.86 78.10 0.04 21.21 0.70 0.06 0.01 0.02 0.00 77.35 0.64 35 V E E 35.47 22.49 11.74 33.01 119.41 -157.48 -107.70 128.88 3.43 96.55 0.01 3.44 0.10 0.01 0.01 0.01 0.00 94.40 2.04 36 A E E 56.06 6.76 20.32 27.60 114.74 -170.78 -111.92 127.32 17.47 82.51 0.02 13.99 3.17 0.14 0.00 0.02 0.00 82.20 0.47 37 G E E 32.68 4.89 21.00 26.44 132.38 -29.51 110.36 -176.09 47.78 52.21 0.01 19.98 26.73 0.33 0.00 0.01 0.00 52.74 0.21 38 P C C 65.10 14.07 15.92 29.57 115.43 -63.25 -70.30 144.63 57.07 42.91 0.02 51.00 4.23 0.11 0.00 0.02 0.00 44.05 0.59 39 V E E 33.87 15.32 16.30 32.38 119.58 -157.45 -116.81 126.70 22.00 77.98 0.02 20.32 1.08 0.03 0.01 0.01 0.00 70.41 8.14 40 P E E 79.36 5.98 22.59 29.14 114.77 -114.80 -68.01 144.01 37.76 62.23 0.01 36.68 1.15 0.03 0.00 0.01 0.00 59.18 2.94 41 L C C 35.67 21.07 12.74 32.96 116.87 -115.81 -81.36 140.53 93.45 6.54 0.01 90.78 3.10 0.04 0.00 0.01 0.00 5.64 0.43 42 P C C 44.21 11.13 17.17 29.40 113.73 -103.24 -65.70 148.03 94.07 5.83 0.09 91.04 2.96 0.28 0.02 0.07 0.00 5.10 0.54 43 T C S 86.27 7.21 16.28 24.69 99.58 -154.86 -91.37 -16.48 78.12 21.69 0.19 33.11 44.48 1.09 0.02 0.19 0.00 20.39 0.70 44 E E E 97.39 5.46 17.73 24.36 125.75 55.63 -116.07 143.41 14.65 85.13 0.23 11.50 3.18 0.44 0.03 0.18 0.00 84.31 0.37 45 K E E 98.52 12.62 13.87 26.76 125.77 -161.85 -124.96 139.37 4.13 95.81 0.06 3.67 0.30 0.05 0.01 0.03 0.00 95.85 0.09 46 N E E 57.60 9.48 16.80 27.59 125.50 -166.87 -123.65 142.79 0.91 99.08 0.01 0.79 0.05 0.00 0.00 0.00 0.00 99.14 0.02 47 V E E 60.92 10.44 16.79 28.54 119.36 -150.56 -111.03 129.26 0.60 99.40 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 48 F E E 50.37 12.85 15.90 30.03 123.52 -168.85 -117.63 139.06 0.81 99.18 0.01 0.74 0.03 0.00 0.00 0.00 0.00 99.20 0.02 49 C E E 42.96 10.38 17.60 29.47 120.51 -151.38 -110.46 134.24 1.92 98.07 0.01 1.79 0.08 0.01 0.00 0.00 0.00 98.05 0.05 50 V E E 38.44 12.07 16.24 29.82 119.29 -162.21 -112.57 128.44 6.68 93.28 0.04 6.02 0.47 0.05 0.01 0.02 0.00 93.09 0.34 51 I E E 64.44 9.56 14.84 26.03 115.99 -144.39 -96.44 129.78 29.10 70.71 0.19 23.59 4.90 0.57 0.04 0.13 0.00 70.02 0.74 52 R C C 121.77 6.70 14.26 22.34 112.26 -157.15 -91.58 123.70 62.89 36.67 0.44 44.45 16.69 1.98 0.10 0.37 0.00 34.76 1.64 53 S C C 42.64 6.89 11.18 20.07 119.06 -119.47 -105.56 136.13 85.80 13.20 1.00 64.95 17.14 3.51 0.27 0.86 0.00 11.04 2.23 54 P C T 91.71 4.20 11.06 16.98 96.00 -125.33 -66.92 -18.49 90.28 1.50 8.21 15.01 32.00 43.91 1.50 6.12 0.00 0.88 0.58 55 H C T 134.73 2.40 9.79 13.44 103.59 68.88 -86.93 13.05 85.85 2.30 11.85 13.89 29.84 42.96 2.25 8.64 0.01 1.18 1.21 56 K C S 150.17 2.10 10.72 13.77 100.18 -58.89 -76.51 -14.05 82.60 4.44 12.96 19.38 32.22 32.15 2.22 9.72 0.02 2.37 1.91 57 Y C C 122.22 5.43 8.81 15.92 108.46 51.24 -109.73 81.97 82.67 7.59 9.74 44.05 18.01 21.08 1.98 7.86 0.01 4.61 2.40 58 K C T 139.26 3.57 10.61 16.02 97.87 167.61 -72.61 -23.74 82.06 6.91 11.03 19.91 16.42 46.25 1.65 9.27 0.02 4.79 1.69 59 D C T 116.77 1.59 13.50 15.35 98.93 49.83 -88.95 5.93 83.21 6.52 10.28 19.51 18.00 46.02 1.31 8.95 0.01 5.06 1.13 60 S C C 41.69 9.36 9.54 20.44 117.55 110.85 -86.55 140.93 78.07 14.93 7.01 53.66 17.14 7.35 1.18 6.24 0.00 12.56 1.87 61 R C C 126.13 6.72 13.46 21.73 118.97 -154.10 -107.28 138.68 57.06 40.28 2.66 43.77 9.77 3.37 0.69 2.10 0.00 37.60 2.69 62 E E E 93.00 9.20 13.88 24.15 118.87 -148.54 -102.10 137.10 34.99 63.61 1.40 28.09 4.95 1.52 0.25 1.17 0.00 63.18 0.84 63 H E E 95.95 7.93 15.19 24.39 121.90 -153.73 -114.35 136.49 16.35 83.28 0.36 13.70 2.04 0.57 0.09 0.26 0.00 82.99 0.34 64 F E E 70.53 13.03 12.95 26.74 127.86 -171.86 -123.66 146.79 5.06 94.91 0.02 4.57 0.21 0.02 0.00 0.01 0.00 95.10 0.09 65 E E E 86.44 7.50 17.71 26.51 124.97 -164.07 -123.69 139.20 0.83 99.17 0.01 0.71 0.04 0.00 0.00 0.00 0.00 99.23 0.02 66 M E E 68.93 13.52 15.01 28.89 124.31 -158.86 -117.22 136.96 0.71 99.29 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.01 67 R E E 88.12 9.91 18.13 29.01 124.68 -169.84 -120.14 136.52 1.08 98.91 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.98 0.02 68 T E E 49.27 12.41 17.56 30.64 122.34 -159.98 -114.48 134.51 2.61 97.38 0.01 2.27 0.16 0.01 0.00 0.00 0.00 97.52 0.04 69 H E E 39.38 14.37 17.45 32.71 126.07 -172.37 -123.32 140.40 3.77 96.22 0.01 3.28 0.31 0.03 0.00 0.01 0.00 96.30 0.08 70 K E E 90.33 10.81 20.93 31.88 122.57 -153.69 -110.99 137.66 5.77 94.23 0.00 5.30 0.24 0.01 0.00 0.00 0.00 94.38 0.07 71 R E E 35.40 18.70 17.88 36.32 127.56 -168.34 -125.21 139.08 3.20 96.79 0.00 2.98 0.12 0.01 0.00 0.00 0.00 96.85 0.04 72 L E E 39.69 11.33 23.78 36.06 118.57 -151.94 -108.67 129.14 0.79 99.21 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.01 73 I E E 6.68 23.97 18.15 42.73 120.02 -165.32 -113.95 128.80 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 74 D E E 45.51 9.80 26.24 36.74 115.79 -159.34 -106.15 123.14 0.33 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.01 75 I E E 10.04 22.96 16.56 40.04 115.06 -162.16 -105.70 122.19 4.35 95.64 0.02 4.26 0.10 0.01 0.01 0.01 0.00 95.40 0.22 76 L E E 61.35 8.99 21.05 30.72 119.19 -160.61 -99.18 144.64 39.65 60.31 0.04 16.19 22.62 0.83 0.00 0.04 0.00 59.87 0.44 77 E C S 127.26 3.88 22.71 26.90 95.37 1.25 57.74 55.30 89.14 10.84 0.01 9.31 78.29 0.99 0.00 0.01 0.00 11.24 0.17 78 P C C 18.22 22.69 10.11 31.95 117.91 -159.00 -71.12 146.32 94.91 5.05 0.04 90.97 4.34 0.14 0.01 0.02 0.00 3.79 0.72 79 T C C 57.49 5.21 20.92 26.39 121.95 -132.39 -86.13 161.39 99.72 0.21 0.06 98.99 0.77 0.04 0.04 0.01 0.00 0.06 0.09 80 P H H 87.96 6.30 15.10 22.93 90.93 -105.84 -58.29 -36.31 4.48 0.01 95.51 0.27 0.45 3.68 94.49 1.10 0.00 0.00 0.00 81 K H H 137.42 1.72 19.34 20.32 91.71 53.70 -64.95 -39.38 2.93 0.00 97.07 0.17 0.21 2.51 95.88 1.23 0.00 0.00 0.00 82 T H H 20.24 16.16 15.69 32.18 92.71 48.38 -66.70 -41.51 1.17 0.00 98.83 0.15 0.09 0.81 97.81 1.13 0.00 0.00 0.00 83 V H H 16.53 19.39 15.36 34.75 91.45 51.41 -62.73 -43.06 0.32 0.00 99.68 0.05 0.02 0.18 99.33 0.42 0.00 0.00 0.00 84 D H H 80.31 3.21 21.89 24.63 91.41 50.87 -63.68 -39.94 0.59 0.00 99.41 0.05 0.03 0.43 98.53 0.96 0.00 0.00 0.00 85 S H H 39.51 7.25 19.25 27.69 91.78 51.72 -65.05 -39.70 1.43 0.00 98.56 0.08 0.06 1.20 96.76 1.90 0.00 0.00 0.00 86 L H H 14.13 22.43 14.31 36.46 92.27 53.26 -66.14 -35.34 3.46 0.01 96.54 0.20 0.18 2.94 93.42 3.25 0.01 0.01 0.00 87 M H H 81.53 12.26 16.94 29.25 91.26 59.25 -68.72 -22.45 34.92 0.16 64.92 1.63 1.50 31.45 61.40 3.77 0.06 0.08 0.10 88 R C T 169.75 1.69 19.64 20.60 96.25 58.90 -86.95 -4.91 68.13 0.37 31.50 4.31 3.11 59.01 29.20 3.97 0.02 0.19 0.20 89 L C C 48.95 16.10 10.08 25.91 117.14 104.80 -81.24 139.64 94.10 2.90 3.00 55.47 34.18 4.50 2.36 0.78 0.00 1.27 1.44 90 D C C 117.71 1.64 20.22 21.38 108.45 -128.48 -87.95 110.38 92.88 6.65 0.47 89.02 2.75 1.39 0.24 0.18 0.00 3.85 2.57 91 L C C 37.74 20.83 9.52 28.75 120.99 -168.49 -102.03 136.73 94.50 5.45 0.05 90.57 4.29 0.08 0.03 0.02 0.00 2.42 2.59 92 P C C 58.15 6.34 16.81 24.57 116.29 -106.56 -65.36 153.26 98.32 1.44 0.24 97.30 0.88 0.46 0.05 0.11 0.00 0.67 0.53 93 A C T 83.06 3.67 14.79 20.10 111.17 -88.33 -62.35 139.34 98.54 0.54 0.92 0.90 5.19 92.65 0.09 0.67 0.00 0.33 0.18 94 G C T 54.87 2.26 16.97 19.64 95.73 23.05 84.98 -3.21 98.72 0.67 0.61 1.76 4.81 92.21 0.04 0.57 0.00 0.54 0.07 95 V C C 31.32 17.59 9.53 26.92 119.33 121.09 -96.60 135.00 78.38 21.38 0.24 71.36 5.90 0.51 0.04 0.24 0.00 20.70 1.25 96 D E E 95.41 3.43 21.45 25.19 112.73 -149.06 -101.73 120.06 35.72 64.16 0.12 34.12 1.12 0.25 0.03 0.09 0.00 63.51 0.88 97 I E E 34.60 21.72 11.10 31.71 124.90 -172.55 -122.85 136.07 22.51 77.46 0.02 22.04 0.32 0.03 0.00 0.01 0.00 77.35 0.24 98 E E E 105.97 4.08 23.19 27.59 120.91 -166.09 -117.88 131.93 10.01 89.97 0.01 9.69 0.15 0.02 0.00 0.01 0.00 89.97 0.16 99 I E E 41.13 20.24 11.83 31.26 120.86 -162.49 -114.14 130.03 9.45 90.54 0.01 9.14 0.20 0.02 0.00 0.01 0.00 90.32 0.31 100 K E E 117.79 4.08 19.38 24.59 122.42 -169.51 -120.26 135.00 14.78 85.21 0.01 14.15 0.37 0.03 0.00 0.01 0.00 84.37 1.06 101 L C C 73.85 12.52 10.57 23.50 118.50 -145.72 -102.24 132.59 74.83 25.17 0.00 74.85 0.24 0.01 0.00 0.00 0.00 24.67 0.22 102 P C C 81.20 5.38 14.95 21.59 112.51 -106.45 -68.27 146.84 99.82 0.18 0.00 99.76 0.09 0.02 0.00 0.00 0.00 0.13 0.00