# 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 105.27 6.38 12.69 20.37 115.41 -144.22 -85.49 138.21 99.97 0.02 0.01 99.91 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 R C C 130.77 6.08 10.39 18.02 110.72 -111.59 -72.86 139.09 94.00 1.03 4.97 88.18 0.95 5.82 2.65 1.30 0.00 0.45 0.64 2 K C C 149.18 2.82 11.02 15.36 100.66 -159.87 -87.16 -5.63 94.43 0.73 4.84 60.82 23.44 10.22 2.66 1.96 0.00 0.26 0.64 3 N C S 81.60 3.48 11.69 16.58 121.25 82.29 -99.81 153.61 93.92 0.92 5.16 34.43 57.39 1.94 4.68 0.58 0.00 0.18 0.81 4 A H H 77.24 2.95 11.69 16.16 92.92 -116.75 -61.16 -36.93 11.71 0.06 88.23 2.95 2.33 6.50 85.16 2.98 0.02 0.02 0.04 5 S H H 68.99 1.83 14.45 16.26 92.51 52.59 -65.81 -38.69 10.17 0.06 89.77 2.41 1.29 6.29 86.54 3.40 0.01 0.03 0.03 6 A H H 33.35 6.01 12.52 20.89 92.50 51.42 -64.93 -39.92 4.48 0.05 95.47 2.11 0.66 1.89 92.16 3.13 0.00 0.02 0.02 7 L H H 72.84 5.91 14.20 21.60 92.14 51.97 -64.14 -41.64 2.20 0.02 97.78 1.08 0.29 0.81 97.07 0.73 0.00 0.01 0.01 8 K H H 117.90 2.11 17.61 19.30 91.89 50.43 -64.78 -41.42 1.84 0.01 98.14 0.77 0.21 0.74 97.91 0.36 0.00 0.00 0.01 9 R H H 131.62 2.74 17.53 20.43 92.35 50.03 -65.29 -40.61 1.58 0.01 98.41 0.61 0.17 0.66 98.30 0.25 0.00 0.00 0.00 10 S H H 41.35 7.24 15.18 23.93 92.42 50.71 -65.20 -40.96 1.47 0.00 98.52 0.52 0.15 0.63 98.50 0.20 0.00 0.00 0.00 11 R H H 128.50 3.12 18.30 21.55 91.95 50.21 -64.68 -41.01 1.61 0.01 98.38 0.50 0.16 0.75 98.38 0.20 0.00 0.00 0.00 12 Q H H 91.06 2.82 18.45 21.07 92.18 49.99 -65.04 -41.15 1.73 0.00 98.26 0.52 0.18 0.80 98.33 0.17 0.00 0.00 0.00 13 N H H 62.11 6.27 16.32 24.09 92.47 50.35 -65.22 -40.40 2.15 0.00 97.84 0.67 0.21 0.98 97.97 0.17 0.00 0.00 0.00 14 L H H 77.08 4.89 17.08 22.83 91.91 50.65 -64.86 -40.97 1.66 0.01 98.34 0.48 0.16 0.78 98.43 0.15 0.00 0.00 0.00 15 K H H 116.63 2.17 19.27 20.67 91.86 50.20 -64.45 -41.21 1.31 0.00 98.69 0.36 0.12 0.62 98.77 0.13 0.00 0.00 0.00 16 R H H 110.67 5.92 17.38 24.26 92.18 50.07 -64.90 -40.84 1.33 0.00 98.67 0.39 0.12 0.61 98.74 0.14 0.00 0.00 0.00 17 K H H 95.43 7.66 17.03 25.63 92.01 51.00 -64.53 -40.46 1.30 0.00 98.69 0.34 0.11 0.63 98.77 0.14 0.00 0.00 0.00 18 I H H 97.29 2.55 20.18 21.90 91.91 49.72 -64.58 -41.70 1.06 0.00 98.94 0.24 0.09 0.55 98.98 0.13 0.00 0.00 0.00 19 R H H 122.59 3.50 20.07 23.63 92.12 49.55 -64.90 -41.00 1.38 0.00 98.61 0.26 0.11 0.81 98.66 0.15 0.00 0.00 0.00 20 N H H 35.65 13.93 15.65 30.15 92.52 50.38 -65.53 -39.69 2.19 0.00 97.80 0.39 0.18 1.37 97.89 0.17 0.00 0.00 0.00 21 V H H 76.42 5.27 20.17 25.90 91.89 51.32 -64.27 -41.22 0.82 0.00 99.17 0.20 0.08 0.42 99.21 0.09 0.00 0.00 0.00 22 S H H 59.72 2.33 22.52 23.37 91.96 50.02 -64.42 -42.07 0.80 0.00 99.20 0.19 0.07 0.42 99.22 0.10 0.00 0.00 0.00 23 V H H 30.64 13.63 18.49 32.74 91.97 49.26 -64.73 -42.24 0.68 0.00 99.32 0.14 0.06 0.39 99.32 0.09 0.00 0.00 0.00 24 K H H 61.50 15.59 18.12 33.15 91.43 51.61 -62.46 -42.16 0.50 0.00 99.50 0.13 0.04 0.26 99.50 0.06 0.00 0.00 0.00 25 S H H 61.80 2.33 23.76 24.57 91.34 50.29 -63.85 -40.69 0.57 0.00 99.43 0.12 0.04 0.31 99.46 0.06 0.00 0.00 0.00 26 E H H 92.50 5.03 22.92 28.07 91.54 49.58 -64.99 -41.03 0.55 0.00 99.45 0.06 0.03 0.35 99.50 0.06 0.00 0.00 0.00 27 L H H 9.44 22.34 15.64 38.06 91.78 50.77 -64.38 -42.65 0.34 0.00 99.66 0.03 0.02 0.19 99.73 0.03 0.00 0.00 0.00 28 K H H 97.17 8.63 21.93 30.91 91.45 51.65 -62.75 -41.58 0.23 0.00 99.77 0.04 0.01 0.11 99.81 0.02 0.00 0.00 0.00 29 T H H 72.92 2.08 24.57 24.64 91.66 49.55 -64.01 -41.97 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 30 I H H 25.81 14.83 19.93 35.27 91.88 49.23 -64.81 -42.41 0.13 0.00 99.87 0.01 0.01 0.08 99.89 0.02 0.00 0.00 0.00 31 E H H 25.20 20.38 18.06 37.81 91.28 51.82 -62.55 -42.47 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 32 K H H 119.34 2.84 24.58 26.98 91.32 50.92 -63.72 -40.98 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 33 R H H 117.72 4.35 24.51 28.77 91.89 49.52 -65.29 -40.90 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 34 C H H 4.15 23.20 16.96 40.48 91.52 50.05 -64.25 -43.47 0.11 0.00 99.89 0.00 0.00 0.07 99.89 0.02 0.00 0.00 0.00 35 I H H 48.42 13.30 21.43 34.69 91.44 50.13 -63.11 -42.33 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 36 N H H 88.29 1.96 24.88 24.77 91.79 50.02 -64.40 -41.79 0.18 0.00 99.82 0.01 0.01 0.13 99.81 0.05 0.00 0.00 0.00 37 M H H 29.75 10.23 17.52 29.80 91.77 50.02 -64.37 -41.83 0.34 0.00 99.65 0.03 0.02 0.22 99.59 0.14 0.00 0.00 0.00 38 I H H 25.68 18.47 13.20 31.37 92.09 50.23 -64.40 -42.31 0.75 0.00 99.25 0.07 0.04 0.54 98.92 0.42 0.00 0.00 0.00 39 K H H 147.58 2.40 17.82 21.00 90.90 52.67 -65.06 -30.85 4.53 0.00 95.47 0.11 0.15 4.26 95.05 0.44 0.00 0.00 0.00 40 A C T 75.79 1.95 15.94 17.73 91.81 55.10 -83.82 -6.41 73.79 0.01 26.20 0.27 1.02 71.69 26.44 0.57 0.00 0.00 0.01 41 G C T 51.53 3.93 14.29 19.76 95.20 -110.26 82.36 11.81 99.71 0.01 0.29 1.26 1.71 96.84 0.16 0.03 0.00 0.00 0.00 42 K C C 97.85 5.07 15.11 21.85 103.92 138.20 -93.87 82.12 99.52 0.10 0.38 99.07 0.40 0.19 0.20 0.04 0.00 0.03 0.07 43 K H H 94.87 12.70 12.71 25.70 94.73 168.76 -65.77 -37.68 7.05 0.01 92.93 3.10 1.07 2.81 91.20 1.80 0.00 0.00 0.01 44 D H H 111.94 1.24 21.07 20.73 91.96 52.63 -64.17 -41.08 3.73 0.00 96.26 0.45 0.39 2.66 94.32 2.17 0.00 0.00 0.00 45 E H H 93.52 4.17 20.85 25.11 92.10 47.39 -66.67 -39.61 1.91 0.00 98.08 0.35 0.15 1.21 96.39 1.88 0.00 0.00 0.00 46 A H H 4.86 21.24 12.84 34.48 91.58 52.19 -63.77 -42.25 1.18 0.00 98.82 0.36 0.11 0.53 98.17 0.83 0.00 0.00 0.00 47 I H H 64.40 10.56 20.99 31.74 91.80 51.76 -63.63 -41.61 0.87 0.00 99.13 0.15 0.05 0.50 98.60 0.70 0.00 0.00 0.00 48 E H H 108.79 1.89 25.65 25.41 91.53 50.69 -63.91 -42.00 1.44 0.00 98.56 0.08 0.04 1.23 97.94 0.72 0.00 0.00 0.00 49 F H H 37.93 14.32 20.75 35.35 91.88 50.01 -64.76 -42.33 1.40 0.00 98.60 0.06 0.03 1.23 98.29 0.39 0.00 0.00 0.00 50 F H H 13.51 23.33 17.67 40.62 91.52 51.62 -63.01 -42.34 0.21 0.00 99.79 0.02 0.01 0.12 99.77 0.08 0.00 0.00 0.00 51 K H H 111.90 5.21 24.53 30.28 91.42 51.07 -63.54 -41.27 0.16 0.00 99.84 0.01 0.00 0.11 99.82 0.06 0.00 0.00 0.00 52 F H H 100.24 4.23 25.39 29.42 91.67 49.35 -64.67 -42.16 0.50 0.00 99.50 0.01 0.01 0.43 99.47 0.08 0.00 0.00 0.00 53 V H H 6.20 21.75 19.13 41.01 91.86 49.34 -64.51 -43.10 0.45 0.00 99.55 0.01 0.01 0.35 99.58 0.04 0.00 0.00 0.00 54 A H H 19.05 17.68 20.71 37.93 91.31 51.95 -62.23 -42.34 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 K H H 120.69 2.19 26.42 27.41 91.54 50.48 -64.04 -41.24 0.11 0.00 99.89 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 56 K H H 68.45 10.68 23.60 34.33 91.83 48.62 -65.29 -41.53 0.13 0.00 99.87 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 57 L H H 5.09 24.63 17.45 42.16 91.59 49.21 -64.15 -42.64 0.15 0.00 99.85 0.01 0.01 0.09 99.85 0.03 0.00 0.00 0.00 58 D H H 57.32 8.81 22.98 32.11 91.54 51.11 -63.06 -41.65 0.38 0.00 99.62 0.04 0.01 0.23 99.64 0.08 0.00 0.00 0.00 59 T H H 67.80 2.91 24.40 26.30 91.94 49.67 -64.60 -41.48 0.74 0.00 99.26 0.04 0.04 0.57 99.20 0.16 0.00 0.00 0.00 60 A H H 9.30 14.77 16.74 33.11 91.91 50.72 -64.44 -41.07 1.29 0.00 98.71 0.12 0.10 0.94 98.42 0.42 0.00 0.00 0.00 61 A H H 23.18 14.51 14.68 29.77 91.90 52.05 -63.95 -40.87 3.59 0.01 96.40 0.35 0.23 2.88 95.63 0.90 0.01 0.00 0.01 62 R H H 172.61 1.40 18.88 19.71 90.81 52.99 -64.35 -31.88 11.52 0.02 88.47 0.34 0.48 11.14 87.25 0.77 0.02 0.00 0.01 63 K C T 112.83 4.55 15.28 21.07 93.55 52.53 -86.84 1.04 89.61 0.02 10.37 0.37 3.32 85.43 10.26 0.58 0.00 0.01 0.03 64 R C T 176.86 2.60 16.91 20.74 93.56 -118.82 63.09 30.58 99.38 0.01 0.61 0.41 4.27 94.85 0.38 0.08 0.00 0.00 0.01 65 I C S 54.33 12.22 16.06 29.08 96.13 127.22 -81.71 -29.63 99.74 0.16 0.09 4.49 93.39 1.93 0.05 0.02 0.00 0.05 0.06 66 I C S 13.44 21.31 11.39 32.47 132.31 23.03 -135.09 148.76 97.75 2.16 0.09 9.26 88.25 0.61 0.05 0.02 0.00 0.41 1.40 67 H C C 105.02 3.17 21.55 23.91 115.90 -106.23 -70.52 149.58 99.50 0.39 0.10 99.02 0.54 0.05 0.07 0.01 0.00 0.14 0.17 68 K H H 119.87 9.59 13.31 24.00 91.63 -113.84 -57.49 -38.15 16.68 0.04 83.28 1.22 1.57 13.50 76.96 6.68 0.03 0.01 0.03 69 N H H 114.99 1.19 20.48 19.75 91.65 53.47 -64.63 -38.51 13.75 0.02 86.23 0.81 0.95 11.54 80.37 6.30 0.02 0.01 0.01 70 K H H 83.81 7.38 19.65 27.66 92.31 48.43 -67.42 -39.60 5.08 0.03 94.89 1.29 0.68 2.97 89.66 5.37 0.01 0.02 0.01 71 A H H 5.00 21.48 12.63 34.47 91.39 52.96 -62.84 -42.79 1.95 0.01 98.04 0.55 0.22 1.00 97.00 1.23 0.00 0.00 0.00 72 A H H 51.74 5.34 21.38 27.21 91.66 51.73 -63.44 -41.20 1.23 0.00 98.76 0.33 0.11 0.60 98.36 0.59 0.00 0.00 0.00 73 R H H 139.04 1.80 23.81 23.74 92.01 49.49 -64.66 -41.54 0.88 0.00 99.12 0.18 0.07 0.47 98.99 0.28 0.00 0.00 0.00 74 K H H 51.82 14.70 19.30 33.75 92.12 48.93 -65.62 -41.10 0.87 0.00 99.13 0.15 0.07 0.49 99.10 0.20 0.00 0.00 0.00 75 K H H 54.97 17.37 18.10 34.55 91.55 51.87 -62.24 -42.10 1.25 0.00 98.75 0.25 0.11 0.69 98.75 0.21 0.00 0.00 0.00 76 S H H 62.33 2.44 23.71 24.82 91.60 50.69 -63.75 -41.00 2.16 0.00 97.84 0.34 0.13 1.38 97.94 0.20 0.00 0.00 0.00 77 R H H 115.71 4.31 22.84 27.14 91.87 49.67 -64.90 -41.11 2.70 0.00 97.29 0.34 0.17 1.99 97.19 0.31 0.00 0.00 0.00 78 L H H 11.37 20.62 15.40 36.35 91.93 50.55 -64.46 -42.40 1.68 0.00 98.32 0.43 0.16 0.94 98.01 0.45 0.00 0.00 0.00 79 N H H 61.06 9.05 19.60 29.44 91.75 51.72 -63.37 -40.98 1.17 0.00 98.83 0.37 0.09 0.55 98.61 0.37 0.00 0.00 0.00 80 V H H 81.86 2.15 20.77 21.57 92.42 51.10 -64.36 -41.73 0.99 0.00 99.01 0.15 0.06 0.61 98.43 0.74 0.00 0.00 0.00 81 L H H 58.54 9.26 16.40 26.89 92.17 50.07 -65.93 -39.57 1.93 0.00 98.06 0.23 0.12 1.35 97.01 1.29 0.00 0.00 0.00 82 L H H 41.07 16.25 12.22 28.27 92.82 51.32 -67.41 -33.83 7.98 0.01 92.01 0.71 0.50 6.11 91.35 1.32 0.00 0.00 0.00 83 L H H 114.93 3.13 14.00 18.32 95.23 53.28 -78.21 -15.45 39.82 0.07 60.11 10.66 0.95 25.32 62.00 0.98 0.00 0.02 0.06 84 K C C 142.98 2.86 14.25 18.32 101.90 72.99 -76.09 3.26 99.90 0.01 0.09 99.46 0.13 0.30 0.10 0.00 0.00 0.00 0.00