# 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 N C C 95.74 4.66 14.32 20.06 104.93 74.24 -88.23 88.75 99.90 0.03 0.06 99.84 0.06 0.04 0.04 0.00 0.00 0.01 0.01 1 I H H 87.68 7.01 10.44 18.78 97.92 137.47 -74.14 -28.54 37.27 0.17 62.56 34.08 0.75 2.85 61.38 0.81 0.00 0.06 0.08 2 K H H 137.54 2.07 12.85 15.78 93.83 63.39 -64.81 -39.61 9.82 0.05 90.14 4.95 1.27 3.29 89.10 1.35 0.00 0.02 0.02 3 S H H 62.93 2.06 14.31 16.55 93.22 50.88 -66.14 -39.36 6.02 0.04 93.94 2.91 0.78 2.25 92.45 1.58 0.00 0.02 0.01 4 A H H 40.85 5.51 12.96 20.47 92.55 52.48 -65.02 -40.54 3.32 0.03 96.65 1.59 0.45 1.26 95.48 1.20 0.00 0.01 0.01 5 I H H 76.81 5.03 14.66 21.18 92.25 50.58 -64.61 -41.34 2.15 0.02 97.83 0.94 0.29 0.84 97.47 0.44 0.00 0.01 0.00 6 K H H 117.01 2.18 17.15 19.13 92.03 50.60 -64.66 -41.04 1.93 0.01 98.06 0.80 0.22 0.76 97.95 0.25 0.00 0.01 0.00 7 R H H 132.31 3.07 17.01 20.54 92.34 50.38 -65.26 -40.55 2.03 0.01 97.95 0.78 0.22 0.84 97.94 0.21 0.00 0.00 0.00 8 V H H 63.34 6.31 15.99 23.65 92.54 50.09 -65.41 -41.40 1.40 0.01 98.60 0.50 0.14 0.55 98.67 0.13 0.00 0.00 0.00 9 K H H 111.65 2.97 18.69 21.63 92.22 50.30 -64.37 -41.31 1.33 0.01 98.66 0.43 0.12 0.56 98.77 0.11 0.00 0.00 0.00 10 T H H 66.56 3.43 18.50 22.15 92.20 49.35 -65.27 -41.62 1.24 0.00 98.76 0.35 0.12 0.55 98.89 0.09 0.00 0.00 0.00 11 T H H 51.76 7.91 16.52 25.68 92.45 50.05 -65.46 -40.92 0.97 0.00 99.03 0.26 0.09 0.42 99.16 0.08 0.00 0.00 0.00 12 E H H 100.52 4.09 18.76 23.33 92.13 50.41 -65.00 -40.87 0.72 0.00 99.28 0.14 0.06 0.34 99.39 0.07 0.00 0.00 0.00 13 K H H 119.83 2.02 20.83 21.64 91.99 49.55 -64.51 -41.24 0.63 0.00 99.36 0.12 0.05 0.31 99.46 0.07 0.00 0.00 0.00 14 A H H 34.83 8.49 16.72 26.71 92.15 50.39 -64.46 -41.03 0.56 0.00 99.43 0.09 0.04 0.29 99.51 0.07 0.00 0.00 0.00 15 E H H 87.93 8.22 17.95 27.02 91.81 50.82 -64.12 -40.89 0.65 0.00 99.35 0.10 0.05 0.34 99.44 0.08 0.00 0.00 0.00 16 A H H 59.56 2.51 20.80 22.27 91.84 50.17 -64.29 -40.95 0.76 0.00 99.23 0.10 0.05 0.45 99.30 0.09 0.00 0.00 0.00 17 R H H 125.52 3.49 20.60 24.11 92.00 49.56 -65.23 -40.66 1.11 0.00 98.89 0.14 0.08 0.69 98.99 0.10 0.00 0.00 0.00 18 N H H 34.46 14.39 15.46 30.35 92.40 50.78 -65.49 -39.94 1.74 0.00 98.26 0.30 0.13 1.03 98.42 0.12 0.00 0.00 0.00 19 I H H 90.09 4.67 20.64 25.65 91.75 51.13 -64.09 -41.28 0.62 0.00 99.37 0.12 0.05 0.31 99.45 0.07 0.00 0.00 0.00 20 S H H 64.45 2.03 22.87 23.05 91.88 49.89 -64.53 -41.37 0.49 0.00 99.51 0.08 0.03 0.26 99.55 0.07 0.00 0.00 0.00 21 Q H H 48.34 12.66 18.62 31.76 91.91 49.12 -65.36 -41.65 0.41 0.00 99.59 0.06 0.03 0.24 99.62 0.06 0.00 0.00 0.00 22 K H H 66.05 15.03 18.27 32.75 91.16 51.90 -62.63 -41.85 0.33 0.00 99.67 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 23 S H H 61.06 2.33 23.99 24.73 91.36 50.28 -63.69 -41.18 0.44 0.00 99.56 0.05 0.03 0.26 99.61 0.05 0.00 0.00 0.00 24 A H H 49.16 5.15 22.64 27.99 91.55 50.18 -64.61 -40.98 0.42 0.00 99.58 0.04 0.02 0.27 99.63 0.04 0.00 0.00 0.00 25 M H H 16.37 20.87 16.17 36.94 91.50 50.33 -64.05 -42.18 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.02 0.00 0.00 0.00 26 R H H 115.82 7.53 22.55 30.67 91.28 51.31 -62.61 -41.83 0.13 0.00 99.87 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 27 T H H 76.18 2.00 25.22 25.06 91.34 49.41 -64.18 -42.03 0.12 0.00 99.88 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 28 A H H 16.12 14.20 19.72 34.80 91.34 50.28 -64.05 -42.41 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 29 V H H 21.55 18.54 18.67 36.88 91.26 50.07 -63.31 -42.76 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 30 K H H 116.02 2.52 25.25 26.78 91.34 50.27 -63.35 -41.90 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 31 N H H 81.06 4.16 24.37 28.27 91.53 49.16 -64.99 -40.73 0.27 0.00 99.73 0.02 0.01 0.18 99.76 0.04 0.00 0.00 0.00 32 A H H 6.19 21.18 15.87 37.34 91.67 50.96 -64.07 -42.41 0.21 0.00 99.79 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 33 K H H 95.97 8.99 22.09 31.30 91.39 51.03 -63.14 -41.74 0.41 0.00 99.59 0.04 0.02 0.26 99.59 0.09 0.00 0.00 0.00 34 T H H 76.26 1.70 23.78 22.90 91.73 49.66 -64.44 -41.75 1.03 0.00 98.97 0.10 0.07 0.73 98.90 0.20 0.00 0.00 0.00 35 A H H 18.16 10.00 16.02 28.33 91.79 50.75 -64.31 -41.21 1.75 0.00 98.25 0.28 0.17 1.07 98.07 0.40 0.00 0.00 0.00 36 V H H 36.43 15.34 12.98 28.34 92.47 50.76 -65.50 -39.47 3.95 0.02 96.03 0.71 0.39 2.65 95.22 1.01 0.01 0.01 0.01 37 S H H 85.98 1.55 16.91 18.25 92.47 51.65 -68.71 -33.82 9.05 0.02 90.94 0.69 0.74 7.26 90.22 1.06 0.01 0.01 0.01 38 N H H 123.87 1.06 15.67 15.47 98.38 38.59 -92.24 -9.26 41.63 0.04 58.33 1.74 4.55 33.35 58.98 1.31 0.01 0.01 0.04 39 N C C 84.04 5.76 13.39 20.62 109.42 -19.32 -140.88 70.60 96.16 0.07 3.77 58.28 4.99 33.10 2.59 0.95 0.00 0.03 0.07 40 A H G 55.50 9.38 10.76 21.46 96.66 168.02 -64.50 -34.76 26.30 0.14 73.56 11.89 3.06 10.04 12.74 62.14 0.00 0.08 0.05 41 D H G 122.95 0.93 17.46 16.96 93.42 57.91 -68.17 -26.60 23.58 0.08 76.35 2.90 2.55 16.88 14.97 62.62 0.00 0.04 0.04 42 N H G 74.35 6.31 14.94 22.72 97.55 45.30 -95.33 3.52 21.74 0.08 78.19 5.31 2.03 12.95 17.55 62.08 0.00 0.04 0.03 43 K H H 47.53 17.85 11.38 28.58 93.16 100.26 -60.80 -40.93 3.61 0.01 96.39 1.62 0.49 1.26 95.04 1.59 0.00 0.00 0.00 44 N H H 104.94 3.51 20.23 24.67 91.74 52.09 -63.61 -40.32 1.18 0.00 98.82 0.21 0.08 0.69 98.12 0.90 0.00 0.00 0.00 45 E H H 114.64 1.84 23.66 23.52 91.57 48.95 -65.39 -41.04 0.71 0.00 99.29 0.12 0.05 0.44 98.50 0.89 0.00 0.00 0.00 46 L H H 21.25 16.22 18.13 34.76 91.82 49.71 -64.85 -42.76 0.49 0.00 99.51 0.08 0.03 0.29 99.28 0.32 0.00 0.00 0.00 47 V H H 16.55 20.43 18.43 38.38 91.49 50.70 -62.86 -42.98 0.21 0.00 99.79 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 48 S H H 58.52 3.62 25.34 28.55 91.30 50.70 -63.37 -41.92 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 49 L H H 71.96 5.49 25.12 30.80 91.55 49.17 -64.46 -41.77 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 50 A H H 3.49 23.30 18.32 41.82 91.46 50.27 -63.76 -43.22 0.19 0.00 99.81 0.01 0.00 0.13 99.84 0.02 0.00 0.00 0.00 51 V H H 38.16 15.36 22.40 37.17 91.39 50.60 -63.06 -42.37 0.09 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 52 K H H 122.05 1.98 26.85 27.36 91.35 50.57 -63.54 -42.06 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 53 L H H 40.78 12.30 23.02 35.59 91.64 48.95 -64.56 -42.36 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 54 V H H 4.43 24.80 17.57 42.49 91.34 49.44 -63.62 -42.81 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 55 D H H 64.67 7.31 23.84 31.44 91.33 50.88 -63.15 -41.91 0.19 0.00 99.81 0.02 0.00 0.10 99.85 0.02 0.00 0.00 0.00 56 K H H 106.01 2.81 25.07 26.84 91.84 49.51 -64.83 -41.12 0.28 0.00 99.72 0.02 0.01 0.19 99.72 0.06 0.00 0.00 0.00 57 A H H 7.62 16.29 16.37 34.04 91.81 50.62 -64.35 -40.97 0.52 0.00 99.47 0.04 0.03 0.36 99.40 0.16 0.00 0.00 0.00 58 A H H 26.57 14.07 15.29 29.87 91.94 52.06 -63.80 -41.14 1.56 0.00 98.44 0.12 0.08 1.23 98.11 0.45 0.00 0.00 0.00 59 Q H H 140.41 1.21 19.53 19.66 90.89 53.25 -64.85 -30.57 7.66 0.01 92.33 0.18 0.26 7.52 91.59 0.43 0.02 0.00 0.00 60 S C T 60.75 5.43 15.04 21.93 93.47 52.75 -86.64 -0.60 92.00 0.02 7.98 0.25 2.31 89.18 7.85 0.39 0.00 0.00 0.02 61 N C T 123.75 2.62 17.51 21.21 92.71 -117.08 67.00 25.56 99.80 0.00 0.19 0.24 2.99 96.66 0.07 0.03 0.00 0.00 0.00 62 L C S 48.85 13.26 16.17 30.06 95.81 123.60 -82.33 -28.76 99.86 0.11 0.03 4.57 94.57 0.77 0.01 0.01 0.00 0.04 0.04 63 I C S 11.69 21.94 11.60 33.42 133.78 21.64 -137.13 149.97 97.19 2.76 0.04 8.94 88.36 0.33 0.02 0.01 0.00 0.45 1.90 64 H C C 102.32 3.40 21.65 24.37 116.46 -103.76 -70.18 150.74 99.65 0.31 0.04 99.38 0.35 0.02 0.02 0.00 0.00 0.11 0.11 65 S H H 67.91 9.17 13.60 23.94 91.57 -112.88 -58.32 -38.71 14.14 0.03 85.83 1.10 1.43 11.43 80.14 5.86 0.02 0.01 0.02 66 N H H 114.97 1.09 20.74 19.55 91.67 52.75 -64.69 -38.99 12.24 0.02 87.74 0.75 0.94 10.38 82.35 5.53 0.02 0.01 0.01 67 K H H 79.16 7.90 19.35 27.94 92.52 48.35 -66.80 -39.53 4.70 0.03 95.27 1.10 0.58 2.83 91.11 4.36 0.00 0.01 0.01 68 A H H 5.17 21.41 12.30 34.03 91.35 52.34 -62.77 -42.86 1.45 0.01 98.54 0.38 0.17 0.73 97.94 0.78 0.00 0.00 0.00 69 D H H 79.04 4.34 21.69 26.23 91.45 51.38 -63.69 -40.93 0.85 0.00 99.14 0.20 0.08 0.43 98.88 0.41 0.00 0.00 0.00 70 R H H 136.37 1.94 22.92 23.26 92.01 49.80 -64.77 -41.76 0.57 0.00 99.43 0.10 0.04 0.31 99.27 0.28 0.00 0.00 0.00 71 I H H 36.82 14.78 18.10 33.07 91.96 48.81 -65.00 -41.88 0.62 0.00 99.38 0.09 0.05 0.35 99.27 0.24 0.00 0.00 0.00 72 K H H 63.38 15.32 17.70 32.50 91.81 51.46 -62.71 -41.97 1.39 0.00 98.60 0.22 0.10 0.82 98.42 0.43 0.00 0.00 0.00 73 S H H 60.58 2.23 21.73 22.58 91.44 50.59 -63.76 -40.62 4.73 0.01 95.26 0.55 0.27 3.39 94.29 1.48 0.00 0.00 0.00 74 Q H H 90.40 4.33 19.71 24.43 92.24 50.35 -65.76 -39.99 10.27 0.02 89.71 1.04 0.69 8.04 87.64 2.57 0.01 0.01 0.01 75 L H H 23.89 17.65 12.73 30.45 92.62 51.21 -66.22 -39.65 13.58 0.10 86.32 3.30 1.80 8.35 82.05 4.38 0.02 0.06 0.05 76 M H H 98.25 6.02 15.66 22.79 92.90 53.21 -66.92 -34.06 27.12 0.59 72.28 11.04 4.60 12.26 67.10 4.40 0.03 0.30 0.29 77 T H H 100.88 1.88 14.82 16.78 95.93 57.25 -72.76 -23.49 47.52 1.16 51.32 20.61 5.64 22.09 46.95 3.55 0.03 0.53 0.60 78 A C C 62.23 7.11 10.15 18.56 99.70 68.64 -78.45 -11.46 69.95 0.37 29.67 48.44 1.74 18.06 29.68 1.68 0.00 0.13 0.27 79 N C C 107.09 4.99 13.04 19.55 104.35 105.18 -81.80 57.74 99.97 0.01 0.02 99.87 0.04 0.07 0.01 0.00 0.00 0.00 0.00