# 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 116.42 5.56 13.64 20.51 112.23 -159.26 -91.94 124.85 99.89 0.10 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 A C C 62.84 7.03 11.31 19.75 114.03 -160.67 -89.11 138.66 94.43 4.10 1.47 89.90 1.21 3.79 0.37 0.70 0.00 3.29 0.74 2 K C C 131.21 5.02 14.10 20.59 112.70 -142.92 -96.03 123.94 86.85 11.56 1.58 59.40 18.85 7.79 0.21 1.63 0.00 11.27 0.85 3 Q C C 72.32 11.87 13.97 26.37 120.86 -155.54 -108.93 140.04 64.99 33.81 1.19 47.35 13.92 2.69 0.14 1.10 0.00 34.08 0.72 4 K E E 90.78 9.61 19.83 29.92 125.30 -157.04 -117.16 140.35 25.41 74.39 0.19 22.92 1.99 0.22 0.04 0.12 0.00 74.14 0.56 5 I E E 11.52 22.34 15.84 38.42 123.85 -162.26 -120.74 135.21 4.47 95.52 0.01 4.30 0.15 0.01 0.00 0.00 0.00 95.40 0.13 6 R E E 88.65 9.30 24.87 34.49 117.97 -156.56 -110.29 127.14 1.41 98.59 0.00 1.32 0.05 0.00 0.00 0.00 0.00 98.61 0.02 7 I E E 6.50 24.60 17.19 42.36 120.73 -166.44 -114.93 128.71 0.70 99.30 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.28 0.01 8 R E E 85.73 9.30 26.50 36.25 116.79 -161.42 -109.09 124.12 0.59 99.41 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 9 L E E 4.30 25.72 17.12 43.60 124.19 -170.86 -116.98 138.47 1.38 98.62 0.00 1.38 0.02 0.00 0.00 0.00 0.00 98.57 0.02 10 K E E 82.62 8.93 26.92 36.35 124.22 -165.31 -116.44 136.85 3.90 96.09 0.01 3.67 0.16 0.01 0.00 0.00 0.00 96.02 0.13 11 A E E 7.50 22.39 14.35 36.72 136.15 170.56 -142.60 157.87 26.33 73.62 0.05 25.52 0.85 0.08 0.01 0.03 0.00 72.48 1.02 12 Y C S 125.31 6.82 21.23 28.76 95.13 -136.13 -78.90 -24.37 98.72 1.25 0.03 6.53 91.94 0.50 0.00 0.01 0.00 0.94 0.07 13 D C C 63.19 7.46 19.33 27.80 115.32 54.00 -117.38 112.02 98.83 1.05 0.12 67.09 31.61 0.34 0.07 0.04 0.00 0.44 0.41 14 H H H 91.94 13.01 14.49 27.84 93.05 -161.23 -62.92 -34.91 2.53 0.00 97.47 0.36 0.39 1.59 97.03 0.63 0.00 0.00 0.00 15 R H H 157.80 1.66 21.58 22.30 91.85 55.84 -64.19 -40.44 1.33 0.00 98.67 0.14 0.12 0.97 98.19 0.57 0.00 0.00 0.00 16 V H H 32.70 11.89 18.69 31.65 92.06 48.27 -65.35 -41.87 0.53 0.00 99.46 0.11 0.05 0.31 99.02 0.51 0.00 0.00 0.00 17 I H H 5.41 24.71 15.10 39.96 91.26 50.78 -63.35 -43.56 0.26 0.00 99.74 0.05 0.02 0.12 99.71 0.10 0.00 0.00 0.00 18 D H H 66.83 9.01 23.25 32.32 91.54 50.36 -63.72 -42.22 0.27 0.00 99.73 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 19 Q H H 93.47 3.08 26.43 28.72 91.66 49.26 -64.49 -42.08 0.23 0.00 99.77 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 20 S H H 7.19 19.64 20.95 40.63 91.87 49.63 -64.25 -42.52 0.30 0.00 99.70 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 21 A H H 6.44 22.76 20.07 42.51 91.24 51.84 -62.72 -42.12 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 22 E H H 103.65 4.31 26.53 31.03 91.48 51.21 -63.87 -41.61 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 23 K H H 81.99 8.49 25.46 34.27 91.62 49.60 -64.60 -42.33 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.01 0.00 0.00 0.00 24 I H H 2.05 26.64 20.46 47.30 91.24 49.11 -63.82 -43.78 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 25 V H H 26.43 17.18 22.27 38.93 91.28 49.80 -62.95 -43.00 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 26 E H H 103.04 2.47 26.90 28.03 91.41 50.06 -63.54 -42.12 0.26 0.00 99.74 0.04 0.01 0.13 99.80 0.02 0.00 0.00 0.00 27 T H H 19.37 13.89 21.11 35.77 91.86 49.45 -64.42 -42.44 0.45 0.00 99.54 0.04 0.02 0.29 99.59 0.05 0.00 0.00 0.00 28 A H H 3.49 24.14 14.78 39.20 91.31 51.00 -63.43 -42.26 0.89 0.00 99.10 0.12 0.06 0.56 99.08 0.18 0.00 0.00 0.00 29 K H H 129.65 4.74 19.87 25.95 91.26 50.79 -63.11 -40.18 1.86 0.01 98.14 0.23 0.10 1.37 97.57 0.72 0.00 0.00 0.00 30 R H H 160.69 2.38 19.50 22.09 90.83 53.59 -65.79 -29.12 8.48 0.02 91.50 0.26 0.30 8.02 90.69 0.70 0.01 0.01 0.01 31 S C T 36.96 13.56 13.97 28.09 93.97 50.97 -89.59 -0.43 72.46 0.04 27.50 0.40 1.19 69.89 27.58 0.88 0.00 0.01 0.04 32 G C T 55.75 1.66 21.38 22.01 96.46 -103.64 86.38 12.24 99.82 0.02 0.16 2.03 1.53 96.34 0.06 0.03 0.00 0.01 0.00 33 A C C 14.64 21.75 9.48 30.16 120.54 141.62 -86.65 148.25 98.11 1.86 0.03 96.30 1.84 0.12 0.00 0.02 0.00 1.60 0.11 34 D E E 103.31 2.45 24.13 26.11 109.50 -127.36 -88.55 118.04 40.99 58.90 0.11 38.52 1.67 0.25 0.02 0.08 0.00 58.37 1.08 35 V E E 30.00 23.09 10.75 32.45 121.06 -167.95 -111.66 132.61 13.36 86.58 0.06 12.92 0.42 0.05 0.04 0.03 0.00 79.94 6.60 36 S E E 67.76 4.60 20.84 25.99 114.51 -171.89 -111.94 118.72 33.17 66.77 0.06 25.28 7.57 0.45 0.01 0.05 0.00 65.57 1.07 37 G C E 33.23 5.14 20.80 26.42 132.65 -17.55 114.83 -176.64 58.19 41.79 0.02 18.21 38.83 0.59 0.00 0.02 0.00 42.03 0.32 38 P C C 65.85 13.06 16.50 29.41 116.01 -59.96 -70.50 147.06 64.95 35.03 0.03 58.32 4.91 0.15 0.00 0.03 0.00 35.94 0.65 39 I E E 31.17 17.29 15.68 33.42 118.71 -151.22 -113.20 125.67 20.80 79.18 0.02 19.33 0.98 0.03 0.01 0.01 0.00 70.10 9.54 40 P E E 78.63 5.76 23.45 29.74 114.51 -116.58 -68.91 142.96 35.92 64.07 0.01 35.07 0.98 0.03 0.00 0.01 0.00 60.97 2.92 41 L C C 31.90 21.74 12.76 33.74 116.58 -121.85 -84.81 137.25 91.66 8.32 0.02 89.42 2.70 0.05 0.00 0.01 0.00 7.34 0.48 42 P C C 40.72 11.43 17.32 29.92 114.22 -105.10 -65.87 148.72 91.42 8.17 0.41 88.64 2.64 0.45 0.09 0.27 0.00 7.08 0.82 43 T C S 88.74 6.82 16.47 24.55 98.63 -149.66 -87.78 -16.76 78.09 20.10 1.81 32.43 43.90 2.49 0.32 1.35 0.00 18.44 1.06 44 E E E 101.80 4.74 18.50 24.29 125.43 54.70 -117.61 144.03 22.34 75.52 2.15 16.34 5.69 1.63 0.43 1.35 0.00 73.94 0.62 45 K E E 94.77 13.98 13.46 27.28 127.47 -166.72 -129.12 140.24 7.51 91.34 1.14 6.39 0.83 0.35 0.35 0.48 0.00 91.39 0.22 46 S E E 37.40 9.18 17.58 28.25 129.17 -172.27 -128.66 147.53 2.50 97.28 0.22 2.03 0.22 0.07 0.08 0.06 0.00 97.46 0.08 47 V E E 63.53 10.66 16.77 28.56 119.50 -144.76 -109.83 129.56 1.74 98.09 0.17 1.46 0.11 0.03 0.05 0.05 0.00 98.26 0.04 48 Y E E 51.31 13.41 15.56 30.24 124.19 -169.65 -118.86 138.26 2.24 97.47 0.29 1.95 0.13 0.04 0.10 0.09 0.00 97.62 0.06 49 T E E 55.20 8.93 18.82 28.94 118.67 -148.12 -106.24 130.89 4.05 95.53 0.41 3.65 0.22 0.07 0.20 0.14 0.00 95.58 0.14 50 I E E 31.62 14.82 14.93 30.83 119.01 -159.09 -110.75 127.94 12.16 85.90 1.93 10.47 1.12 0.44 1.25 0.60 0.00 85.55 0.59 51 I E E 65.01 8.83 16.05 26.49 115.13 -145.19 -94.31 129.35 29.15 65.15 5.70 22.97 4.81 1.96 3.38 2.11 0.00 63.67 1.09 52 R C E 108.99 8.32 14.22 23.78 114.07 -155.16 -99.17 130.24 47.53 42.63 9.84 34.17 9.93 3.96 6.03 3.76 0.04 39.87 2.24 53 A C C 46.83 6.47 12.24 20.56 117.00 -120.24 -100.96 137.50 66.93 20.34 12.73 48.18 11.45 6.70 7.31 5.60 0.03 18.22 2.52 54 V C T 92.36 5.34 10.58 17.44 102.08 -124.71 -72.95 -6.60 71.16 4.17 24.67 17.71 20.61 34.18 12.24 11.09 0.12 2.55 1.49 55 H C T 142.41 2.25 10.75 13.91 101.71 42.69 -82.30 10.75 73.70 2.89 23.40 16.35 20.28 38.20 10.49 11.60 0.11 1.60 1.38 56 M C T 123.42 2.95 10.24 14.40 103.21 49.06 -87.89 -18.10 74.61 6.15 19.24 20.50 24.81 31.21 7.20 10.40 0.10 3.67 2.13 57 Y C C 123.60 5.78 9.02 16.45 111.37 38.48 -108.77 96.10 76.59 11.62 11.79 40.60 17.15 20.23 4.33 6.99 0.02 8.19 2.50 58 K C T 144.16 2.96 11.08 15.61 101.73 -147.16 -76.10 -17.71 78.11 12.14 9.75 24.98 20.46 34.41 2.07 7.09 0.03 9.39 1.58 59 D C T 109.82 2.50 12.90 16.34 101.18 41.50 -89.55 14.23 77.60 14.57 7.83 26.87 19.31 32.93 1.32 6.07 0.01 12.25 1.24 60 S C C 44.11 9.29 9.91 20.68 118.63 117.53 -93.03 139.83 69.39 26.33 4.28 50.92 12.32 5.69 0.87 3.49 0.00 25.27 1.44 61 R E E 125.24 7.15 13.27 21.94 121.67 -160.72 -111.59 138.30 48.68 49.55 1.77 37.61 7.50 3.23 0.45 1.28 0.00 48.69 1.24 62 E E E 94.24 8.82 14.06 24.04 120.32 -151.65 -105.32 138.28 29.11 70.20 0.69 23.35 4.17 1.22 0.15 0.49 0.00 70.15 0.47 63 Q E E 91.86 8.12 15.35 24.70 122.74 -156.47 -114.95 137.90 12.19 87.58 0.24 10.13 1.56 0.40 0.06 0.14 0.00 87.47 0.22 64 F E E 60.87 13.76 12.93 27.40 127.55 -174.13 -123.41 147.45 3.55 96.41 0.05 3.12 0.21 0.04 0.01 0.02 0.00 96.52 0.07 65 E E E 92.33 7.07 18.08 26.38 123.97 -158.47 -118.78 138.66 1.14 98.84 0.02 0.99 0.06 0.01 0.00 0.00 0.00 98.91 0.02 66 Q E E 63.33 14.52 14.36 29.03 125.75 -164.28 -120.90 139.25 1.21 98.78 0.01 1.07 0.04 0.00 0.00 0.00 0.00 98.86 0.02 67 R E E 95.10 9.07 18.67 28.68 123.01 -165.93 -117.21 135.20 1.48 98.51 0.01 1.31 0.06 0.01 0.00 0.00 0.00 98.59 0.02 68 T E E 46.46 13.33 17.03 30.92 121.75 -158.14 -112.10 134.71 3.43 96.56 0.02 2.95 0.25 0.03 0.00 0.01 0.00 96.71 0.06 69 H E E 41.05 14.08 17.69 32.67 125.82 -170.50 -123.03 139.96 5.22 94.76 0.03 4.49 0.53 0.06 0.00 0.01 0.00 94.78 0.13 70 K E E 90.95 11.23 20.73 32.01 124.16 -153.50 -114.02 137.49 8.44 91.55 0.01 7.70 0.42 0.02 0.00 0.00 0.00 91.75 0.10 71 R E E 37.91 18.40 18.13 36.22 127.56 -169.78 -124.92 140.96 4.64 95.36 0.01 4.27 0.24 0.01 0.00 0.00 0.00 95.41 0.07 72 L E E 40.90 11.73 23.62 36.16 118.33 -152.26 -108.80 128.51 0.89 99.11 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.15 0.02 73 I E E 6.49 24.03 18.26 42.86 119.89 -164.82 -114.00 127.81 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 74 D E E 46.56 9.87 26.35 36.86 115.51 -159.07 -105.70 123.02 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 75 I E E 9.04 23.35 17.00 40.83 115.40 -162.81 -107.63 122.57 3.15 96.83 0.01 3.07 0.07 0.01 0.01 0.01 0.00 96.68 0.15 76 V E E 51.78 9.38 21.37 31.49 123.29 -168.42 -110.99 143.54 30.53 69.43 0.04 14.05 15.60 0.81 0.00 0.04 0.00 69.11 0.40 77 N C S 106.93 3.55 22.66 26.54 92.36 6.51 58.09 48.44 90.15 9.84 0.01 7.87 80.42 1.18 0.00 0.01 0.00 10.39 0.13 78 P C C 16.58 22.74 10.13 32.05 118.09 -168.12 -71.91 147.17 95.27 4.70 0.03 89.58 6.02 0.15 0.01 0.02 0.00 3.51 0.71 79 T C C 58.30 5.13 21.11 26.41 120.39 -127.32 -82.16 159.17 99.73 0.21 0.06 99.00 0.77 0.03 0.04 0.00 0.00 0.06 0.09 80 P H H 85.94 6.77 15.10 23.34 91.28 -108.85 -58.12 -36.54 2.90 0.00 97.10 0.20 0.27 2.27 96.57 0.68 0.00 0.00 0.00 81 K H H 137.63 1.69 19.59 20.36 91.59 53.64 -64.84 -39.13 1.70 0.00 98.30 0.10 0.11 1.39 97.63 0.76 0.00 0.00 0.00 82 T H H 22.07 15.97 16.09 32.33 92.61 48.21 -66.44 -41.72 0.57 0.00 99.43 0.07 0.04 0.38 98.90 0.61 0.00 0.00 0.00 83 V H H 15.21 20.37 15.13 35.30 91.43 51.63 -62.58 -43.18 0.15 0.00 99.85 0.02 0.01 0.09 99.71 0.17 0.00 0.00 0.00 84 D H H 88.39 2.83 22.25 24.58 91.32 50.81 -63.55 -40.08 0.31 0.00 99.69 0.03 0.01 0.22 99.44 0.30 0.00 0.00 0.00 85 A H H 43.56 6.83 19.91 27.62 91.68 51.58 -64.68 -40.87 0.76 0.00 99.24 0.04 0.03 0.62 98.64 0.68 0.00 0.00 0.00 86 L H H 8.80 23.66 14.45 37.87 92.11 50.99 -65.85 -39.65 2.31 0.01 97.68 0.13 0.11 1.95 96.57 1.24 0.00 0.00 0.00 87 M H H 79.15 13.27 17.10 30.16 91.49 58.44 -67.43 -24.94 24.79 0.08 75.13 1.01 1.03 22.70 73.12 2.01 0.04 0.04 0.05 88 G C T 57.27 1.45 19.95 20.30 93.78 56.63 -84.02 -8.40 68.22 0.18 31.60 3.27 2.67 59.79 31.93 2.15 0.01 0.07 0.11 89 L C C 46.22 16.76 10.02 26.36 117.45 104.44 -79.73 142.12 94.89 1.84 3.26 56.43 32.57 5.88 2.46 0.84 0.00 0.73 1.07 90 N C C 128.11 1.42 20.89 21.39 107.45 -124.70 -86.57 109.25 95.57 3.93 0.50 89.30 4.06 2.36 0.21 0.23 0.00 2.22 1.61 91 L C C 35.52 21.83 9.65 29.73 120.48 -169.14 -99.81 139.59 95.62 4.34 0.04 89.96 5.92 0.08 0.02 0.02 0.00 1.58 2.42 92 P C C 50.30 7.92 16.60 26.17 116.52 -106.88 -65.57 153.79 98.99 0.84 0.16 97.74 1.03 0.42 0.03 0.08 0.00 0.40 0.30 93 S C T 87.98 2.67 16.29 20.19 111.29 -87.04 -63.10 138.98 98.51 0.69 0.80 1.32 6.95 90.33 0.07 0.67 0.00 0.44 0.22 94 G C T 47.65 3.85 17.56 22.38 96.16 24.99 86.23 -4.51 98.27 1.17 0.56 2.54 6.24 89.49 0.03 0.56 0.00 1.03 0.10 95 V C C 22.45 20.05 10.16 29.78 119.79 116.90 -100.22 134.48 68.67 31.18 0.15 62.71 4.59 0.33 0.03 0.14 0.00 31.14 1.06 96 D E E 86.85 4.14 23.29 27.57 115.68 -151.14 -103.79 125.18 21.13 78.80 0.06 20.36 0.63 0.10 0.01 0.04 0.00 78.41 0.45 97 I E E 27.48 23.15 11.71 33.96 124.12 -169.58 -120.68 134.66 9.69 90.30 0.01 9.57 0.14 0.01 0.00 0.00 0.00 90.16 0.11 98 E E E 100.77 4.40 23.69 28.38 122.40 -168.03 -117.88 134.44 3.96 96.03 0.00 3.96 0.06 0.01 0.00 0.00 0.00 95.90 0.06 99 I E E 43.10 20.25 11.63 30.91 120.96 -161.59 -115.00 130.75 5.19 94.81 0.00 5.32 0.06 0.01 0.00 0.00 0.00 94.46 0.15 100 K E E 117.00 3.99 18.40 23.55 122.94 -169.74 -120.03 137.40 13.25 86.74 0.01 13.49 0.13 0.02 0.00 0.01 0.00 85.83 0.52 101 L C C 86.05 11.22 13.26 24.92 114.33 -135.00 -88.50 130.32 96.74 3.26 0.00 96.84 0.06 0.00 0.00 0.00 0.00 3.07 0.02