# 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 99.25 7.64 14.93 23.46 116.17 -153.31 -91.84 137.47 99.96 0.03 0.01 99.90 0.05 0.03 0.00 0.00 0.00 0.01 0.00 1 A C C 47.89 10.40 10.11 21.35 111.39 -111.42 -71.73 138.17 95.05 0.89 4.06 89.35 0.84 5.73 2.30 0.85 0.00 0.40 0.52 2 N C C 118.26 2.81 12.71 16.78 99.58 -161.66 -90.08 -5.48 95.10 0.63 4.28 62.86 21.53 10.71 2.58 1.58 0.00 0.23 0.51 3 T C S 65.16 4.00 11.60 17.27 121.53 79.30 -99.46 155.29 91.63 0.68 7.69 30.44 58.17 2.45 7.65 0.59 0.00 0.14 0.56 4 A H H 78.14 2.32 12.34 15.82 92.68 -116.02 -59.84 -38.04 9.75 0.04 90.21 2.73 2.12 4.96 88.51 1.62 0.01 0.01 0.03 5 Q H H 114.17 1.81 14.51 16.39 92.29 52.58 -65.82 -39.33 7.36 0.04 92.60 1.88 1.02 4.35 90.81 1.88 0.01 0.02 0.02 6 A H H 28.43 7.83 11.86 22.00 92.40 50.99 -64.88 -40.22 3.56 0.03 96.41 1.59 0.51 1.57 94.66 1.65 0.00 0.01 0.01 7 R H H 118.69 4.96 15.42 21.49 91.86 51.94 -63.20 -41.38 1.63 0.01 98.36 0.74 0.21 0.62 98.01 0.42 0.00 0.00 0.00 8 K H H 117.62 2.06 18.43 19.75 92.06 50.01 -65.06 -41.36 1.25 0.00 98.74 0.45 0.13 0.54 98.67 0.21 0.00 0.00 0.00 9 R H H 121.70 3.84 18.11 22.47 92.14 49.53 -65.44 -40.80 1.14 0.00 98.85 0.36 0.11 0.52 98.84 0.16 0.00 0.00 0.00 10 A H H 32.21 9.12 15.05 25.79 92.12 50.93 -64.36 -41.38 1.18 0.00 98.82 0.34 0.10 0.54 98.87 0.14 0.00 0.00 0.00 11 R H H 129.83 2.83 19.62 22.22 91.83 50.01 -64.57 -40.94 1.56 0.00 98.43 0.41 0.14 0.77 98.51 0.16 0.00 0.00 0.00 12 Q H H 91.28 3.00 19.30 21.99 92.24 49.57 -65.38 -40.92 1.83 0.00 98.16 0.47 0.18 0.92 98.28 0.15 0.00 0.00 0.00 13 N H H 54.67 7.97 16.34 25.84 92.43 50.69 -65.34 -40.44 2.52 0.01 97.48 0.78 0.27 1.15 97.62 0.18 0.00 0.00 0.00 14 T H H 63.00 5.30 17.85 23.94 91.95 50.71 -64.85 -41.11 1.91 0.00 98.08 0.60 0.20 0.86 98.17 0.17 0.00 0.00 0.00 15 K H H 118.65 2.13 20.04 21.20 91.98 49.70 -64.69 -41.26 1.55 0.00 98.44 0.47 0.16 0.72 98.51 0.15 0.00 0.00 0.00 16 R H H 107.27 7.14 17.72 25.76 92.16 50.11 -64.99 -40.92 1.55 0.00 98.45 0.46 0.15 0.72 98.49 0.18 0.00 0.00 0.00 17 R H H 107.77 8.81 17.53 27.00 92.09 51.15 -64.31 -40.67 1.57 0.00 98.43 0.40 0.15 0.80 98.44 0.20 0.00 0.00 0.00 18 Q H H 109.44 2.27 21.46 22.67 91.82 49.65 -64.57 -41.21 1.75 0.00 98.25 0.39 0.17 0.97 98.25 0.21 0.00 0.00 0.00 19 N H H 77.75 4.20 20.62 24.94 92.01 49.23 -65.05 -41.16 3.09 0.01 96.90 0.56 0.30 1.93 96.93 0.28 0.00 0.00 0.00 20 S H H 21.16 15.06 16.06 31.59 92.34 50.68 -65.38 -40.36 3.81 0.00 96.18 0.74 0.36 2.32 96.31 0.26 0.00 0.00 0.00 21 A H H 49.63 6.06 20.38 27.09 91.79 52.18 -63.64 -41.20 1.21 0.00 98.79 0.35 0.13 0.58 98.79 0.15 0.00 0.00 0.00 22 S H H 62.34 2.23 23.27 23.84 91.87 50.09 -64.63 -41.07 0.99 0.00 99.01 0.27 0.09 0.52 98.97 0.16 0.00 0.00 0.00 23 Q H H 43.58 14.01 19.06 33.20 91.83 49.55 -64.80 -42.02 0.87 0.00 99.13 0.19 0.08 0.51 99.08 0.14 0.00 0.00 0.00 24 R H H 72.56 16.06 18.54 33.74 91.36 51.74 -62.60 -41.63 0.62 0.00 99.38 0.17 0.06 0.33 99.36 0.08 0.00 0.00 0.00 25 S H H 61.86 2.42 24.07 25.02 91.38 50.54 -63.96 -40.78 0.55 0.00 99.45 0.13 0.04 0.29 99.48 0.05 0.00 0.00 0.00 26 M H H 81.39 5.73 22.85 28.86 91.60 49.97 -64.73 -41.45 0.45 0.00 99.54 0.06 0.02 0.27 99.60 0.04 0.00 0.00 0.00 27 V H H 7.09 22.94 16.03 39.11 91.72 49.99 -63.94 -42.99 0.25 0.00 99.75 0.03 0.01 0.13 99.80 0.03 0.00 0.00 0.00 28 R H H 109.08 9.03 22.12 31.44 91.32 51.47 -62.53 -41.60 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 29 T H H 71.96 2.20 24.65 25.01 91.59 49.61 -64.03 -42.28 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 30 Y H H 36.80 15.16 20.26 35.67 91.84 49.28 -64.78 -42.05 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 31 L H H 17.67 21.01 18.00 38.51 91.32 51.63 -62.75 -42.67 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 32 K H H 123.15 2.68 24.67 26.97 91.28 50.97 -63.53 -40.96 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 33 R H H 120.04 4.64 24.38 29.15 91.82 49.34 -65.19 -40.85 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 34 V H H 4.78 23.83 16.84 40.98 91.53 49.85 -64.26 -43.31 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 35 D H H 58.53 11.86 22.55 34.03 91.29 50.52 -62.61 -41.98 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 36 A H H 56.07 2.19 24.37 24.82 91.53 50.12 -63.85 -41.73 0.37 0.00 99.63 0.02 0.01 0.27 99.61 0.08 0.00 0.00 0.00 37 A H H 13.55 11.52 16.86 30.56 91.70 50.42 -64.07 -41.89 0.83 0.00 99.17 0.09 0.06 0.55 99.08 0.23 0.00 0.00 0.00 38 I H H 30.21 17.82 13.94 31.48 92.23 50.25 -64.66 -41.73 1.89 0.00 98.10 0.22 0.14 1.36 97.64 0.64 0.00 0.00 0.00 39 A H H 82.12 2.30 18.23 21.00 90.97 52.91 -64.85 -32.51 6.61 0.00 93.38 0.23 0.30 5.89 93.07 0.51 0.00 0.00 0.00 40 A C T 73.42 2.11 16.23 18.23 93.07 50.94 -86.81 -2.98 77.57 0.01 22.42 0.65 2.25 72.87 23.50 0.71 0.00 0.00 0.02 41 K C T 143.48 5.26 13.94 21.30 92.60 -120.73 62.95 31.25 99.53 0.01 0.46 3.36 3.12 93.16 0.28 0.07 0.00 0.00 0.00 42 D C C 70.39 5.05 16.39 23.00 105.33 145.45 -97.74 88.17 99.37 0.13 0.51 98.56 0.68 0.29 0.28 0.06 0.00 0.03 0.10 43 Y H H 98.51 14.22 13.10 27.28 94.57 176.22 -66.15 -36.04 5.46 0.01 94.53 2.35 0.88 2.15 93.78 0.83 0.00 0.00 0.01 44 D H H 110.78 1.30 22.31 21.95 91.86 53.42 -64.01 -40.91 2.54 0.00 97.45 0.33 0.26 1.77 96.83 0.80 0.00 0.00 0.00 45 A H H 42.90 5.64 20.55 27.02 91.88 48.46 -65.87 -40.29 1.13 0.00 98.87 0.21 0.09 0.69 98.35 0.65 0.00 0.00 0.00 46 A H H 4.52 22.16 13.33 35.81 91.49 52.08 -63.98 -42.82 0.60 0.00 99.40 0.14 0.05 0.28 99.29 0.23 0.00 0.00 0.00 47 T H H 54.93 10.00 22.57 32.61 91.69 51.53 -63.48 -42.02 0.39 0.00 99.61 0.06 0.02 0.20 99.61 0.09 0.00 0.00 0.00 48 E H H 107.16 1.98 26.49 26.48 91.52 49.96 -63.91 -41.94 0.33 0.00 99.67 0.03 0.02 0.21 99.67 0.08 0.00 0.00 0.00 49 A H H 12.71 15.44 20.04 36.24 91.51 50.44 -64.07 -42.37 0.36 0.00 99.64 0.03 0.01 0.24 99.63 0.09 0.00 0.00 0.00 50 Y H H 17.98 23.25 18.05 40.66 91.46 51.08 -62.88 -41.89 0.25 0.00 99.75 0.02 0.01 0.17 99.67 0.14 0.00 0.00 0.00 51 K H H 123.40 4.24 24.69 29.68 91.57 51.38 -64.28 -39.43 0.60 0.00 99.40 0.01 0.01 0.53 99.26 0.18 0.00 0.00 0.00 52 K H H 113.74 3.95 25.49 29.48 92.43 48.74 -68.13 -37.17 5.16 0.00 94.84 0.03 0.07 5.54 94.03 0.34 0.00 0.00 0.00 53 A H H 3.92 23.31 17.80 41.15 92.71 49.85 -69.73 -38.47 3.36 0.00 96.64 0.04 0.09 3.28 96.40 0.18 0.00 0.00 0.00 54 I H H 33.84 18.24 21.03 38.27 91.91 56.01 -61.66 -43.69 0.32 0.00 99.68 0.04 0.01 0.18 99.63 0.14 0.00 0.00 0.00 55 P H H 70.74 2.75 26.18 27.87 91.09 50.67 -62.75 -41.35 0.12 0.00 99.88 0.01 0.00 0.08 99.78 0.13 0.00 0.00 0.00 56 V H H 35.69 11.44 23.08 35.09 91.69 49.19 -64.65 -42.48 0.05 0.00 99.95 0.00 0.00 0.03 99.85 0.11 0.00 0.00 0.00 57 L H H 4.36 25.02 17.50 42.72 91.34 49.75 -63.97 -42.94 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 58 D H H 61.14 9.01 22.80 32.07 91.31 51.23 -63.15 -41.45 0.25 0.00 99.75 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 59 R H H 126.90 2.48 24.49 25.75 91.78 49.74 -64.87 -41.37 0.65 0.00 99.35 0.02 0.02 0.53 99.34 0.09 0.00 0.00 0.00 60 M H H 21.01 14.08 17.15 32.58 92.11 49.67 -65.39 -41.38 1.14 0.00 98.86 0.10 0.09 0.83 98.72 0.26 0.00 0.00 0.00 61 A H H 21.93 15.08 14.05 29.60 91.87 51.52 -63.62 -41.26 2.92 0.01 97.07 0.30 0.20 2.31 96.11 1.07 0.01 0.00 0.00 62 D H H 114.28 1.51 18.27 19.44 91.10 52.58 -66.02 -29.71 10.12 0.01 89.87 0.25 0.37 10.03 88.33 0.98 0.02 0.00 0.01 63 K C T 124.69 3.32 15.50 19.68 92.68 52.86 -85.62 -2.47 79.84 0.02 20.14 0.28 2.21 77.57 18.86 1.05 0.00 0.00 0.03 64 G C T 52.64 3.46 15.99 20.69 95.24 -111.20 79.36 12.13 99.73 0.01 0.26 0.59 6.14 93.09 0.12 0.06 0.00 0.00 0.00 65 I C S 62.16 10.79 15.77 27.59 95.44 121.86 -78.06 -31.02 99.86 0.10 0.04 3.54 95.48 0.90 0.02 0.01 0.00 0.02 0.04 66 I C S 16.07 20.77 10.98 31.36 131.47 24.48 -135.15 148.24 98.94 1.00 0.06 5.65 93.06 0.51 0.02 0.01 0.00 0.17 0.57 67 H C C 106.93 3.01 20.94 23.16 116.00 -103.53 -69.90 150.94 99.73 0.19 0.08 99.19 0.56 0.04 0.05 0.01 0.00 0.05 0.10 68 K H H 126.48 8.15 13.09 22.77 91.50 -113.50 -58.08 -38.16 11.71 0.02 88.27 1.00 1.42 8.84 84.28 4.41 0.02 0.01 0.02 69 N H H 118.19 1.03 19.99 18.89 91.79 53.04 -64.78 -38.50 9.45 0.02 90.53 0.65 0.77 7.67 86.68 4.21 0.01 0.01 0.01 70 K H H 83.02 7.29 19.05 27.11 92.41 48.42 -67.43 -39.14 3.47 0.02 96.50 0.85 0.45 2.03 93.35 3.30 0.00 0.01 0.01 71 A H H 6.10 20.43 12.48 33.30 91.47 52.52 -62.79 -42.80 1.24 0.01 98.75 0.36 0.14 0.61 98.24 0.65 0.00 0.00 0.00 72 A H H 53.80 4.52 21.30 26.13 91.54 51.36 -63.54 -41.16 0.87 0.00 99.13 0.19 0.07 0.44 98.98 0.31 0.00 0.00 0.00 73 R H H 140.41 1.72 23.48 23.25 91.95 49.66 -64.61 -41.44 0.79 0.00 99.21 0.14 0.06 0.43 99.17 0.20 0.00 0.00 0.00 74 R H H 54.91 15.22 18.71 33.69 92.22 48.93 -65.55 -41.11 0.81 0.00 99.18 0.14 0.06 0.45 99.20 0.15 0.00 0.00 0.00 75 K H H 61.73 16.71 18.29 34.07 91.46 52.32 -61.95 -42.06 1.18 0.00 98.82 0.21 0.09 0.65 98.91 0.14 0.00 0.00 0.00 76 S H H 62.63 2.17 23.91 24.39 91.55 50.56 -63.81 -41.14 1.56 0.00 98.44 0.29 0.11 0.85 98.60 0.15 0.00 0.00 0.00 77 R H H 110.82 4.62 22.89 27.55 91.55 49.45 -65.04 -41.14 1.27 0.00 98.73 0.20 0.09 0.74 98.80 0.17 0.00 0.00 0.00 78 L H H 9.73 21.71 15.57 37.45 91.78 50.61 -64.16 -42.36 1.01 0.00 98.99 0.19 0.08 0.53 99.02 0.18 0.00 0.00 0.00 79 N H H 65.45 9.96 20.75 31.01 91.46 51.28 -63.17 -41.34 1.03 0.00 98.97 0.22 0.07 0.51 99.06 0.14 0.00 0.00 0.00 80 K H H 125.01 1.57 23.65 22.97 91.74 49.93 -64.67 -41.37 0.69 0.00 99.31 0.10 0.05 0.38 99.36 0.12 0.00 0.00 0.00 81 T H H 46.91 9.69 19.65 30.09 92.23 48.85 -65.68 -41.18 0.66 0.00 99.33 0.11 0.05 0.36 99.34 0.14 0.00 0.00 0.00 82 I H H 19.93 18.99 14.46 33.51 92.06 49.90 -64.47 -42.29 0.69 0.00 99.31 0.11 0.05 0.40 99.19 0.24 0.00 0.00 0.00 83 K H H 120.10 3.28 19.40 23.16 91.70 51.01 -63.61 -39.57 1.29 0.00 98.70 0.18 0.10 0.85 98.30 0.57 0.00 0.00 0.00 84 G H H 43.74 2.27 17.40 19.46 92.58 51.75 -66.06 -36.31 5.84 0.01 94.16 0.47 0.34 4.61 93.32 1.25 0.00 0.00 0.00 85 L H H 63.08 11.74 12.30 24.63 93.72 53.20 -71.77 -27.63 14.45 0.02 85.53 1.41 1.13 11.18 84.98 1.28 0.01 0.01 0.01 86 Q H H 112.18 6.00 12.67 20.07 96.17 58.00 -77.01 -15.26 44.06 0.19 55.75 17.35 1.47 23.25 56.62 1.11 0.00 0.06 0.14 87 A C C 78.51 2.98 13.46 17.72 104.37 82.65 -75.10 42.24 99.94 0.01 0.05 99.73 0.07 0.15 0.05 0.00 0.00 0.00 0.00