# 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 108.44 7.27 14.42 22.78 115.19 -165.37 -99.07 127.70 99.67 0.30 0.03 99.58 0.15 0.06 0.01 0.00 0.00 0.15 0.05 1 A C C 72.92 6.13 11.94 19.65 111.93 -130.85 -81.13 135.73 94.19 3.41 2.40 82.83 1.93 9.76 0.79 1.22 0.00 2.49 0.98 2 G C C 44.95 6.20 12.68 20.14 110.49 -6.22 83.63 76.78 93.52 3.95 2.53 53.07 19.87 20.51 0.38 2.49 0.00 2.69 0.99 3 R C C 155.13 4.58 14.44 20.65 110.91 -88.58 -87.47 121.31 89.12 6.94 3.94 45.44 22.44 21.47 0.48 3.90 0.00 4.82 1.45 4 G C C 35.15 9.87 15.51 25.79 117.04 -2.09 89.76 9.05 84.36 13.15 2.50 43.55 23.13 17.91 0.24 2.68 0.00 11.40 1.08 5 K C C 85.03 12.33 19.49 31.60 120.24 -97.42 -100.69 141.14 64.08 34.56 1.36 49.74 11.26 2.63 0.20 1.27 0.00 33.79 1.11 6 L E E 35.65 17.30 21.93 38.77 117.25 -128.60 -92.27 132.56 23.48 76.39 0.13 20.99 2.08 0.18 0.04 0.09 0.00 76.01 0.63 7 I E E 5.74 24.14 23.66 47.42 121.98 -164.57 -115.39 132.37 3.77 96.21 0.02 3.32 0.30 0.02 0.00 0.01 0.00 96.26 0.08 8 A E E 3.59 23.17 28.07 50.42 123.18 -161.88 -113.83 135.65 0.38 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 9 V E E 1.33 26.68 27.67 53.90 122.38 -165.12 -116.64 131.82 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.80 0.01 10 I E E 7.53 23.69 27.81 50.33 120.52 -167.13 -115.18 127.78 1.23 98.76 0.01 1.04 0.09 0.01 0.00 0.00 0.00 98.81 0.05 11 G E E 7.19 17.67 24.36 42.40 144.86 86.80 163.68 -174.63 33.23 66.74 0.03 13.98 19.06 0.54 0.00 0.03 0.00 66.13 0.27 12 D C C 56.25 8.86 24.69 33.92 118.32 -42.31 -76.02 152.21 91.42 8.45 0.13 80.46 10.63 0.25 0.07 0.05 0.00 7.98 0.54 13 E H H 96.79 12.90 16.91 29.64 92.07 -109.17 -59.16 -38.53 5.37 0.01 94.61 0.35 0.79 4.35 93.50 0.99 0.02 0.00 0.01 14 D H H 101.03 3.04 23.01 25.88 91.86 52.47 -65.87 -38.09 4.71 0.01 95.28 0.23 0.37 4.37 93.71 1.29 0.02 0.00 0.00 15 T H H 29.42 16.20 19.71 35.46 94.63 44.07 -72.05 -39.62 3.11 0.04 96.85 0.34 0.29 2.51 95.21 1.59 0.01 0.02 0.01 16 V H H 3.52 25.72 16.47 42.34 91.71 51.25 -64.44 -43.18 1.22 0.04 98.74 0.31 0.17 0.71 98.47 0.31 0.00 0.02 0.01 17 T H H 57.87 8.85 24.36 33.47 91.71 51.09 -63.43 -42.27 1.30 0.01 98.69 0.15 0.10 1.00 98.42 0.31 0.00 0.01 0.00 18 G H H 25.13 8.00 23.83 32.23 91.69 51.13 -63.58 -42.44 2.52 0.01 97.47 0.12 0.17 2.26 96.59 0.83 0.02 0.00 0.00 19 F H H 9.61 23.78 18.89 42.26 92.24 49.29 -65.41 -42.40 1.51 0.01 98.47 0.13 0.12 1.24 96.88 1.61 0.02 0.01 0.00 20 L H H 44.73 18.41 19.59 36.81 91.58 51.51 -63.31 -41.43 1.79 0.02 98.19 0.18 0.13 1.43 95.53 2.70 0.01 0.01 0.00 21 L H H 108.56 5.16 21.99 27.58 90.54 54.69 -66.22 -27.99 9.36 0.04 90.61 0.31 0.37 9.06 87.11 3.07 0.04 0.02 0.02 22 G C T 29.87 11.01 18.35 30.14 92.45 55.38 -85.17 -5.10 70.72 0.07 29.21 0.43 1.70 68.34 27.54 1.88 0.01 0.02 0.07 23 G C T 33.66 9.23 22.22 31.84 98.09 -100.76 91.82 8.63 99.39 0.07 0.54 2.37 3.67 93.51 0.25 0.13 0.00 0.03 0.03 24 I C C 16.39 22.57 16.91 39.04 105.81 132.62 -88.61 82.72 94.85 3.91 1.25 74.24 16.56 3.73 0.44 0.82 0.00 1.94 2.27 25 G C C 19.29 15.62 20.66 35.28 119.24 42.16 120.88 -166.14 84.46 12.58 2.97 47.68 29.24 7.84 0.62 2.66 0.00 8.15 3.80 26 E C C 84.62 10.08 21.74 31.87 117.72 -59.86 -99.02 134.33 63.42 32.98 3.60 44.37 13.27 4.85 1.27 2.73 0.03 21.70 11.79 27 L C C 53.66 15.56 13.88 29.24 114.10 -154.15 -99.22 125.06 58.39 37.93 3.68 38.98 13.70 4.19 1.93 2.08 0.06 21.19 17.87 28 N C C 60.49 7.78 13.38 22.62 125.28 -148.83 -109.22 169.56 80.92 16.30 2.78 59.64 13.89 6.94 0.89 2.04 0.00 11.15 5.44 29 K C T 161.08 2.27 11.81 15.70 93.73 -98.49 -65.07 -23.63 91.15 2.46 6.39 10.65 23.42 57.12 0.87 5.43 0.00 1.49 1.01 30 N C T 123.46 1.21 12.91 13.80 96.72 52.24 -89.48 2.69 94.01 0.84 5.14 8.15 22.93 62.63 0.52 4.88 0.00 0.48 0.41 31 R C S 137.97 7.30 11.52 20.19 99.26 -111.27 63.83 27.60 87.30 8.24 4.46 23.23 45.48 18.40 0.62 4.00 0.01 4.49 3.76 32 H C C 109.09 4.90 16.61 22.93 118.20 149.08 -96.65 135.48 87.32 12.46 0.22 63.66 22.91 1.21 0.07 0.20 0.00 8.66 3.28 33 P C C 48.32 14.54 15.94 30.45 113.64 -108.15 -67.54 146.05 77.28 21.47 1.25 65.52 7.26 3.43 0.35 1.08 0.00 15.72 6.63 34 N C C 35.28 16.69 19.24 35.56 100.29 -154.26 -92.93 -0.16 84.40 14.49 1.12 39.42 39.01 6.50 0.13 1.16 0.00 12.54 1.24 35 F E E 29.35 20.21 19.16 38.94 131.83 51.39 -130.03 144.96 25.84 73.18 0.98 17.85 8.28 1.83 0.27 0.78 0.01 68.40 2.58 36 L E E 25.03 17.67 23.33 40.69 122.37 -162.16 -117.38 131.26 7.69 92.10 0.20 6.65 0.95 0.20 0.07 0.12 0.00 90.65 1.35 37 V E E 42.24 15.09 24.26 39.00 116.36 -149.31 -101.66 126.80 9.70 90.22 0.08 8.90 0.70 0.08 0.04 0.04 0.00 88.57 1.66 38 V E E 12.52 21.58 14.80 36.35 124.33 -166.78 -112.10 142.70 43.50 56.34 0.16 40.58 2.32 0.21 0.07 0.10 0.00 54.45 2.28 39 E C C 94.95 5.65 21.28 27.05 121.70 -133.25 -92.35 158.69 81.38 18.39 0.23 74.63 5.46 0.68 0.07 0.17 0.00 17.03 1.97 40 K C T 128.29 7.93 14.41 23.43 93.70 -99.14 -61.13 -28.76 98.01 1.12 0.87 2.85 13.66 81.61 0.10 0.73 0.00 0.80 0.24 41 D C T 126.03 0.86 17.85 16.95 97.14 42.92 -87.64 10.53 98.68 0.58 0.75 5.47 12.63 80.55 0.08 0.70 0.00 0.46 0.11 42 T C C 25.96 16.05 9.26 25.41 117.25 128.38 -75.20 142.67 97.37 2.24 0.39 56.96 40.02 0.63 0.16 0.19 0.00 0.87 1.17 43 T C C 70.59 2.55 22.27 23.28 119.74 -124.48 -79.54 158.53 95.38 4.17 0.44 93.63 1.57 0.16 0.33 0.07 0.00 0.94 3.30 44 I H H 59.42 16.76 12.36 28.72 91.29 -111.68 -57.54 -38.61 3.01 0.02 96.96 0.79 0.49 1.69 96.17 0.83 0.00 0.01 0.01 45 N H H 110.10 1.91 20.06 21.56 91.47 54.10 -63.75 -39.03 2.06 0.01 97.94 0.35 0.18 1.41 97.13 0.92 0.00 0.00 0.00 46 E H H 89.17 5.01 20.34 25.76 91.84 49.20 -66.14 -39.51 0.69 0.00 99.31 0.17 0.06 0.40 98.70 0.67 0.00 0.00 0.00 47 I H H 4.09 24.49 14.26 39.11 91.44 50.70 -63.22 -43.82 0.12 0.00 99.88 0.02 0.01 0.06 99.87 0.04 0.00 0.00 0.00 48 E H H 58.39 13.20 20.29 33.47 91.52 50.89 -62.27 -42.44 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 49 D H H 83.24 1.94 25.10 24.89 91.55 49.70 -64.20 -41.53 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 50 T H H 19.56 14.32 20.31 35.33 92.02 49.93 -64.43 -42.94 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 51 F H H 3.30 26.45 16.72 43.61 91.19 50.34 -63.64 -42.35 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 52 R H H 114.66 7.57 22.31 30.39 91.26 51.81 -62.45 -41.52 0.10 0.00 99.90 0.00 0.00 0.08 99.86 0.05 0.00 0.00 0.00 53 Q H H 95.90 3.08 23.79 26.08 91.79 50.16 -64.42 -40.97 0.33 0.00 99.67 0.01 0.01 0.33 99.44 0.22 0.00 0.00 0.00 54 F H H 10.98 21.30 16.37 37.81 92.39 48.91 -66.41 -39.45 1.03 0.00 98.97 0.03 0.03 0.97 98.34 0.62 0.00 0.00 0.00 55 L H H 33.83 18.93 15.87 34.23 91.57 56.63 -68.63 -25.33 16.62 0.01 83.37 0.31 0.43 16.19 82.13 0.92 0.01 0.00 0.01 56 N C T 121.95 1.58 20.46 21.25 93.08 55.63 -85.97 -5.53 65.21 0.04 34.74 1.52 2.18 59.73 35.18 1.34 0.00 0.02 0.04 57 R C C 81.95 12.79 11.07 24.53 113.09 100.08 -81.47 127.78 97.83 0.48 1.69 63.76 31.22 2.72 1.06 0.52 0.00 0.12 0.60 58 D C T 120.28 2.13 18.26 21.10 95.64 -151.05 -75.20 -18.37 99.10 0.20 0.70 2.57 22.14 74.44 0.05 0.61 0.00 0.11 0.07 59 D C T 70.38 10.12 18.29 28.78 96.60 58.56 -89.88 1.33 99.27 0.48 0.26 8.00 17.14 74.08 0.01 0.34 0.00 0.37 0.06 60 I E E 10.25 23.27 15.07 38.63 116.93 98.65 -98.03 127.78 46.82 53.15 0.02 45.79 0.94 0.05 0.00 0.02 0.00 52.48 0.71 61 G E E 12.54 14.98 26.05 41.64 100.91 175.35 -95.18 -34.89 46.99 53.01 0.00 30.21 15.90 0.09 0.00 0.00 0.00 53.64 0.15 62 I E E 4.32 23.71 26.32 49.70 131.89 14.64 -140.68 137.47 0.51 99.49 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.02 63 I E E 1.61 26.44 28.10 54.13 118.43 -160.30 -114.16 125.06 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 64 L E E 3.40 25.00 28.99 53.43 115.04 -157.97 -104.27 123.29 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 65 I E E 2.76 25.67 24.66 50.00 129.88 -173.66 -128.59 146.94 0.76 99.24 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.25 0.02 66 N E E 19.71 16.98 24.00 40.89 120.57 -116.46 -78.44 160.16 21.05 78.95 0.01 21.24 0.18 0.00 0.00 0.00 0.00 78.37 0.20 67 Q H H 61.71 14.08 20.12 34.37 91.58 -108.37 -58.63 -36.44 3.06 0.01 96.93 0.09 0.28 2.73 96.23 0.66 0.01 0.00 0.00 68 Y H H 114.92 5.00 24.28 29.55 91.86 54.07 -64.63 -40.22 1.10 0.00 98.90 0.04 0.05 0.98 98.52 0.41 0.00 0.00 0.00 69 I H H 13.96 19.33 19.61 38.78 92.46 48.53 -65.78 -41.83 0.24 0.00 99.76 0.01 0.01 0.19 99.44 0.35 0.00 0.00 0.00 70 A H H 5.63 23.01 15.63 38.70 91.10 53.96 -62.38 -41.96 0.11 0.00 99.89 0.00 0.00 0.08 99.71 0.20 0.00 0.00 0.00 71 E H H 111.96 4.09 22.29 26.62 91.57 51.67 -64.86 -37.63 0.85 0.00 99.15 0.01 0.01 0.93 98.66 0.39 0.00 0.00 0.00 72 M H H 87.81 7.31 20.06 27.87 92.43 50.95 -69.77 -32.16 4.62 0.00 95.38 0.02 0.07 5.26 94.21 0.44 0.00 0.00 0.00 73 V H H 9.69 21.84 13.75 35.97 99.40 38.36 -105.23 4.11 28.66 0.04 71.29 1.20 1.75 24.94 71.07 0.97 0.03 0.01 0.05 74 R H H 100.78 13.38 15.90 29.43 91.91 105.46 -57.13 -43.18 3.12 0.01 96.88 0.88 0.22 1.66 92.78 4.46 0.00 0.00 0.00 75 H H H 132.10 1.44 21.09 20.81 91.90 51.68 -64.88 -37.35 1.40 0.00 98.60 0.13 0.08 1.04 92.88 5.87 0.00 0.00 0.00 76 A H H 26.62 11.59 17.05 29.80 92.29 50.49 -65.98 -40.77 0.71 0.00 99.29 0.08 0.04 0.49 94.29 5.10 0.00 0.00 0.00 77 L H H 15.68 21.45 12.47 33.33 91.91 51.67 -65.69 -38.89 1.55 0.01 98.44 0.19 0.11 1.09 94.64 3.96 0.00 0.00 0.00 78 D H H 99.60 3.75 17.68 22.45 91.46 55.21 -68.94 -23.81 20.88 0.03 79.08 0.75 0.81 19.35 75.90 3.13 0.02 0.01 0.02 79 A C T 75.55 2.53 15.87 18.79 93.08 60.89 -80.01 -11.22 54.84 0.09 45.08 2.80 2.64 47.92 43.67 2.87 0.01 0.03 0.07 80 H C C 55.12 16.65 8.06 23.47 113.79 93.22 -84.67 130.10 87.98 0.98 11.05 66.20 11.77 9.06 9.65 2.11 0.00 0.33 0.87 81 Q C C 149.71 1.35 15.89 17.17 100.31 -171.25 -93.55 -1.17 95.50 1.06 3.44 76.73 11.62 7.20 2.03 1.23 0.00 0.45 0.74 82 R C C 127.47 5.55 13.19 20.59 120.53 93.23 -93.58 146.25 97.89 1.01 1.09 45.51 44.33 8.23 0.30 0.69 0.00 0.46 0.49 83 S C C 78.16 4.66 16.14 22.11 108.62 -106.60 -74.89 131.98 98.16 1.27 0.56 62.83 28.36 7.00 0.10 0.53 0.00 0.68 0.51 84 I C C 53.95 15.91 13.32 29.15 119.25 -118.70 -106.77 129.53 95.17 4.71 0.12 61.57 33.91 0.53 0.03 0.08 0.00 2.63 1.26 85 P C S 46.61 12.73 19.65 32.66 113.32 -115.47 -69.56 149.39 96.95 2.97 0.09 47.29 48.32 1.39 0.01 0.10 0.00 2.73 0.17 86 A E E 28.03 15.98 20.85 36.42 120.90 -102.48 -102.94 138.13 17.18 82.57 0.25 13.76 3.16 0.51 0.04 0.20 0.00 81.86 0.47 87 V E E 32.09 19.41 20.12 38.81 120.64 -159.98 -115.25 126.59 1.77 98.21 0.02 1.61 0.13 0.01 0.01 0.01 0.00 98.03 0.20 88 L E E 28.77 17.54 22.56 39.77 120.54 -166.59 -113.37 127.44 1.19 98.81 0.01 1.08 0.06 0.01 0.00 0.00 0.00 98.79 0.06 89 E E E 66.35 14.42 24.12 37.93 115.01 -144.20 -93.94 127.71 4.70 95.29 0.00 4.44 0.23 0.02 0.00 0.00 0.00 94.93 0.37 90 I C C 19.69 20.97 18.15 38.79 116.98 -164.31 -112.65 122.60 70.89 29.08 0.02 67.84 1.78 0.07 0.00 0.02 0.00 29.78 0.51 91 P C C 41.97 11.08 18.87 30.95 116.12 -121.35 -69.62 152.33 93.18 6.69 0.13 85.58 6.75 0.67 0.02 0.12 0.00 6.14 0.72 92 S C C 34.37 11.50 14.19 26.72 120.53 -125.82 -93.49 159.61 92.47 7.09 0.44 83.12 7.23 1.06 0.16 0.26 0.00 2.21 5.95 93 K C T 152.04 3.29 12.93 18.11 92.78 -108.98 -65.09 -27.00 97.84 0.65 1.51 4.78 45.99 47.29 0.15 1.16 0.00 0.32 0.31 94 E C T 155.81 0.87 14.36 14.19 95.15 53.28 -80.37 -19.02 97.82 0.66 1.52 4.81 45.88 47.36 0.15 1.18 0.00 0.34 0.28 95 H C S 87.27 7.91 10.31 19.76 114.89 36.77 -125.56 98.98 93.89 4.67 1.45 31.46 59.55 2.87 0.41 0.89 0.00 2.02 2.79 96 P C C 78.52 5.43 13.68 20.86 112.20 -151.56 -69.41 145.19 94.23 1.91 3.86 63.39 11.07 19.66 0.89 2.99 0.00 1.11 0.88 97 Y C C 111.90 12.43 11.11 23.43 113.46 -111.79 -85.96 130.43 92.47 2.00 5.53 52.03 19.53 21.03 1.64 3.65 0.00 0.86 1.27 98 D C C 66.19 6.36 14.77 22.63 121.70 -170.42 -115.86 145.57 90.99 0.96 8.05 70.92 15.73 4.27 5.70 2.20 0.00 0.32 0.85 99 A H H 73.24 5.18 13.81 20.62 92.65 -124.24 -61.67 -30.40 43.22 0.35 56.43 11.58 7.18 24.83 47.13 8.87 0.04 0.16 0.22 100 A H H 65.36 3.66 16.08 20.52 92.56 57.33 -67.12 -33.40 36.14 0.30 63.56 10.64 4.85 20.90 55.66 7.61 0.03 0.14 0.17 101 K H H 71.99 11.58 14.96 27.07 93.29 53.92 -67.18 -38.34 18.95 0.32 80.72 9.89 3.84 6.17 73.54 6.25 0.01 0.16 0.12 102 D H H 48.87 11.32 15.56 27.61 93.69 54.67 -65.92 -38.49 17.03 0.33 82.64 10.91 2.75 4.33 78.63 3.08 0.00 0.17 0.11 103 S H H 51.36 4.20 19.14 23.80 92.49 53.59 -65.11 -39.66 11.83 0.52 87.64 7.37 2.11 3.50 84.13 2.41 0.01 0.31 0.15 104 I H H 65.56 7.17 18.51 26.68 92.29 51.10 -65.10 -42.51 6.57 0.73 92.70 3.80 1.12 2.16 90.58 1.68 0.01 0.55 0.11 105 L H H 41.85 12.85 15.67 29.31 92.29 51.25 -64.57 -41.74 5.67 1.11 93.21 3.33 0.86 1.88 90.95 1.88 0.02 0.95 0.13 106 R H H 113.95 6.10 17.38 24.44 92.24 51.44 -64.15 -40.88 7.26 1.57 91.17 3.96 1.11 2.57 88.69 2.09 0.03 1.36 0.20 107 R H H 138.42 3.17 17.11 20.89 92.28 50.24 -65.35 -39.24 8.48 1.23 90.29 3.54 1.18 3.90 87.79 2.29 0.04 1.05 0.19 108 A H H 46.43 9.54 13.76 24.30 92.44 51.88 -68.21 -32.44 15.19 1.04 83.77 3.77 1.98 9.50 81.03 2.61 0.11 0.74 0.27 109 K C T 109.85 6.91 14.32 22.26 95.17 53.75 -82.05 -8.07 56.97 0.91 42.12 3.35 3.92 47.16 41.50 3.06 0.09 0.52 0.39 110 G C T 51.66 3.76 14.60 19.57 97.59 -106.13 76.61 10.65 79.55 0.53 19.92 8.04 6.49 63.01 19.64 2.28 0.01 0.27 0.26 111 M C C 103.98 5.08 13.54 19.99 98.40 121.16 -82.91 -19.44 82.18 3.34 14.48 41.34 20.30 20.57 11.30 3.31 0.02 1.52 1.64 112 F C C 85.71 10.05 11.24 22.32 122.89 41.38 -118.94 141.72 79.53 8.66 11.81 40.32 25.72 13.88 8.38 3.44 0.07 3.89 4.29 113 T C C 64.01 4.91 14.34 20.64 124.47 -155.49 -107.87 157.91 87.92 4.31 7.78 69.81 12.97 4.62 5.85 2.40 0.00 2.32 2.02 114 A H G 67.65 6.26 10.90 18.68 95.39 -109.51 -63.76 -30.13 47.32 1.77 50.90 20.65 10.97 16.31 19.95 30.41 0.03 0.94 0.74 115 E H G 140.23 1.75 11.92 14.33 95.63 65.08 -71.96 -25.74 40.26 1.15 58.59 11.65 8.21 20.01 21.77 37.21 0.04 0.63 0.48 116 D H G 91.33 4.18 9.93 15.71 98.37 62.28 -80.07 -8.71 38.99 1.75 59.26 16.73 7.21 15.51 20.77 38.13 0.02 1.02 0.61 117 L C C 97.85 6.23 8.05 15.67 102.18 77.32 -83.15 3.15 55.78 2.47 41.76 42.48 3.37 11.85 20.57 19.09 0.00 1.41 1.22 118 R C C 157.08 3.42 11.46 16.62 105.74 101.65 -83.11 68.25 99.76 0.09 0.14 99.55 0.14 0.15 0.08 0.01 0.00 0.05 0.02