#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4w h ASP 2 N 0.00 0.00 0.30 3.17 3.32 -2.03 -2.50 116.42 118.69 1d4w h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1d4w h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1d4w h ASP 2 CO 0.00 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 1d4w n ALA 3 N -2.14 1.90 -2.55 3.45 0.00 -1.26 -4.39 120.51 115.51 1d4w n ALA 3 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1d4w n ALA 3 Cb 0.31 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 1d4w n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1d4w s VAL 4 N -2.57 4.76 0.38 0.00 1.01 -0.94 -4.92 120.40 118.12 1d4w s VAL 4 Ca 0.15 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1d4w s VAL 4 Cb 0.11 -4.26 0.17 0.00 0.00 0.00 0.00 36.38 32.39 1d4w s VAL 4 CO 0.25 -0.68 1.92 0.00 0.00 0.00 0.00 175.10 176.59 1d4w h ALA 5 N 8.94 1.49 -0.00 5.51 0.00 -1.89 -1.29 119.26 132.02 1d4w h ALA 5 Ca -0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1d4w h ALA 5 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1d4w h ALA 5 CO 0.93 0.36 -0.00 1.33 0.00 0.00 0.00 179.25 181.87 1d4w n VAL 6 N -4.30 0.00 -2.79 0.00 0.24 -1.26 -0.65 118.33 109.58 1d4w n VAL 6 Ca 0.00 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1d4w n VAL 6 Cb 0.24 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 1d4w n VAL 6 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1d4w s TYR 7 N -2.42 3.35 -0.55 6.34 5.04 -0.49 -1.71 117.35 126.91 1d4w s TYR 7 Ca 0.34 1.31 -0.04 0.00 -2.44 0.00 0.00 57.07 56.24 1d4w s TYR 7 Cb 0.21 -3.14 0.14 0.00 0.35 0.00 0.00 41.96 39.53 1d4w s TYR 7 CO 0.44 -0.39 0.37 -1.01 -1.34 0.00 0.00 175.55 173.62 1d4w s HIS 8 N 2.80 3.48 -1.76 4.97 3.76 -0.19 -4.78 115.29 123.57 1d4w s HIS 8 Ca 0.40 -2.50 0.31 0.00 -0.15 0.00 0.00 55.06 53.11 1d4w s HIS 8 Cb -0.16 -3.27 1.71 0.00 1.11 0.00 0.00 32.58 31.98 1d4w s HIS 8 CO 0.08 -0.90 2.12 0.41 -0.85 0.00 0.00 174.74 175.60 1d4w n GLY 9 N 3.99 -1.10 0.00 -2.22 0.00 -1.26 -3.52 105.19 101.08 1d4w n GLY 9 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1d4w n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d4w n LYS 10 N -1.12 1.31 -3.69 1.61 5.02 -1.26 -4.85 118.16 115.17 1d4w n LYS 10 Ca 0.19 -1.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.16 1d4w n LYS 10 Cb 0.16 -0.96 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1d4w n LYS 10 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1d4w s ILE 11 N -0.56 5.20 0.75 -0.18 -4.36 -1.23 -5.09 121.20 115.73 1d4w s ILE 11 Ca 0.00 -0.32 -0.08 0.00 -0.26 0.00 0.00 60.65 59.99 1d4w s ILE 11 Cb 0.00 -3.72 0.08 0.00 1.25 0.00 0.00 42.46 40.08 1d4w s ILE 11 CO 0.00 -0.14 1.07 -0.94 0.24 0.00 0.00 174.94 175.17 1d4w s SER 12 N -3.07 4.56 0.15 4.36 1.04 -1.26 -4.58 113.70 114.90 1d4w s SER 12 Ca 0.39 0.44 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 1d4w s SER 12 Cb -0.11 -0.98 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1d4w s SER 12 CO 0.28 -1.78 1.78 -0.09 0.98 0.00 0.00 173.24 174.41 1d4w h ARG 13 N -0.78 0.53 -0.61 4.02 2.43 -1.99 0.11 114.38 118.09 1d4w h ARG 13 Ca -0.44 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 1d4w h ARG 13 Cb 1.31 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1d4w h ARG 13 CO 0.58 0.39 0.36 1.49 -1.51 0.00 0.00 179.97 181.28 1d4w h GLU 14 N 0.51 0.67 -0.37 0.20 4.81 -1.99 0.51 114.58 118.92 1d4w h GLU 14 Ca 0.14 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1d4w h GLU 14 Cb -0.00 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1d4w h GLU 14 CO -0.03 0.45 0.10 1.15 -0.73 0.00 0.00 179.01 179.95 1d4w h THR 15 N 0.69 1.22 -0.47 0.32 2.02 -1.87 -0.99 112.91 113.83 1d4w h THR 15 Ca 0.26 -0.73 0.09 0.00 0.77 0.00 0.00 66.41 66.79 1d4w h THR 15 Cb 0.07 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 1d4w h THR 15 CO -0.13 0.25 0.04 1.23 0.37 0.00 0.00 175.52 177.28 1d4w h GLY 16 N 0.46 0.51 1.00 2.16 0.00 -0.13 -1.44 103.07 105.64 1d4w h GLY 16 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1d4w h GLY 16 CO -0.00 -0.10 0.44 0.83 0.00 0.00 0.00 176.54 177.71 1d4w h GLU 17 N 0.16 0.95 -0.39 4.80 5.08 -0.50 -2.52 114.58 122.15 1d4w h GLU 17 Ca 0.24 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1d4w h GLU 17 Cb 0.34 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1d4w h GLU 17 CO -0.36 0.66 -0.13 0.87 -1.00 0.00 0.00 179.01 179.05 1d4w h LYS 18 N 0.96 0.71 -0.48 2.33 1.57 -0.69 0.43 116.57 121.39 1d4w h LYS 18 Ca 0.26 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1d4w h LYS 18 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1d4w h LYS 18 CO -0.05 0.81 0.19 -0.07 -0.57 0.00 0.00 179.45 179.76 1d4w h LEU 19 N 0.64 0.68 -0.14 2.94 3.38 -1.13 -0.69 115.31 120.98 1d4w h LEU 19 Ca 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1d4w h LEU 19 Cb 0.59 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1d4w h LEU 19 CO 0.04 0.67 -0.08 -0.07 0.09 0.00 0.00 178.44 179.08 1d4w h LEU 20 N 0.64 0.31 -1.56 1.67 3.38 -1.22 -2.82 115.31 115.72 1d4w h LEU 20 Ca 0.16 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1d4w h LEU 20 Cb 0.21 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1d4w h LEU 20 CO -0.01 0.68 0.33 -0.07 0.09 0.00 0.00 178.44 179.45 1d4w h LEU 21 N -0.05 0.51 -2.25 1.67 3.38 -0.86 -0.24 115.31 117.47 1d4w h LEU 21 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1d4w h LEU 21 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1d4w h LEU 21 CO 0.02 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1d4w h ALA 22 N 1.71 1.00 0.00 1.53 0.00 -0.85 -0.70 119.26 121.95 1d4w h ALA 22 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1d4w h ALA 22 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1d4w h ALA 22 CO -0.05 0.00 -0.18 1.79 0.00 0.00 0.00 179.25 180.81 1d4w h THR 23 N 0.00 0.32 -2.16 0.00 1.35 -1.06 -3.46 112.91 107.90 1d4w h THR 23 Ca 0.00 -1.37 -0.36 0.00 -0.55 0.00 0.00 66.41 64.13 1d4w h THR 23 Cb 0.09 2.09 -0.08 0.00 -1.73 0.00 0.00 68.15 68.52 1d4w h THR 23 CO 0.00 0.18 -0.39 0.61 -0.25 0.00 0.00 175.52 175.67 1d4w n GLY 24 N 0.99 0.67 2.75 5.82 0.00 -0.27 -4.94 105.19 110.21 1d4w n GLY 24 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1d4w n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d4w s LEU 25 N -5.06 1.28 0.29 0.99 2.96 -1.26 -5.11 118.68 112.77 1d4w s LEU 25 Ca 0.00 -0.86 -0.30 0.00 -0.22 0.00 0.00 54.13 52.76 1d4w s LEU 25 Cb 0.00 -0.64 -0.12 0.00 0.50 0.00 0.00 46.19 45.93 1d4w s LEU 25 CO 0.00 -0.30 1.43 0.47 -1.32 0.00 0.00 176.35 176.63 1d4w n ASP 26 N 5.02 3.13 0.00 3.68 10.43 -1.26 -2.09 116.55 135.46 1d4w n ASP 26 Ca -0.09 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.44 1d4w n ASP 26 Cb 0.47 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 41.93 1d4w n ASP 26 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1d4w n GLY 27 N 1.65 0.39 3.76 0.44 0.00 0.28 -4.85 105.19 106.85 1d4w n GLY 27 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1d4w n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d4w s SER 28 N -2.39 7.07 0.09 1.61 0.01 -0.89 -0.31 113.70 118.90 1d4w s SER 28 Ca 0.00 2.42 -0.07 0.00 1.31 0.00 0.00 55.95 59.61 1d4w s SER 28 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 1d4w s SER 28 CO 0.00 -0.30 0.16 -0.72 0.41 0.00 0.00 173.24 172.79 1d4w s TYR 29 N -1.06 0.25 0.28 2.43 -0.85 -0.53 -1.68 117.35 116.19 1d4w s TYR 29 Ca 0.47 -0.69 -0.10 0.00 -0.52 0.00 0.00 57.07 56.23 1d4w s TYR 29 Cb -0.35 -0.12 -0.00 0.00 0.38 0.00 0.00 41.96 41.87 1d4w s TYR 29 CO 0.45 -0.54 0.48 -0.48 -1.52 0.00 0.00 175.55 173.94 1d4w s LEU 30 N -2.89 0.50 -0.01 -3.49 0.05 -0.62 -1.08 118.68 111.13 1d4w s LEU 30 Ca 0.07 -1.09 0.08 0.00 0.05 0.00 0.00 54.13 53.24 1d4w s LEU 30 Cb 0.05 1.70 -0.02 0.00 -2.05 0.00 0.00 46.19 45.87 1d4w s LEU 30 CO -0.09 -1.20 -0.26 -0.22 -0.55 0.00 0.00 176.35 174.03 1d4w s LEU 31 N -3.08 2.08 0.25 1.48 2.96 -0.69 -0.97 118.68 120.70 1d4w s LEU 31 Ca 0.25 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1d4w s LEU 31 Cb -0.01 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1d4w s LEU 31 CO 0.12 0.31 0.32 0.00 -1.32 0.00 0.00 176.35 175.78 1d4w s ARG 32 N -0.70 1.47 0.43 1.98 1.70 -0.47 -1.03 118.95 122.33 1d4w s ARG 32 Ca 0.10 -1.54 -0.22 0.00 -0.47 0.00 0.00 55.73 53.60 1d4w s ARG 32 Cb -0.10 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 1d4w s ARG 32 CO -0.01 -0.56 1.03 -0.51 -1.08 0.00 0.00 175.30 174.18 1d4w s ASP 33 N -3.14 6.65 0.38 -2.89 -0.00 -1.26 0.04 116.67 116.46 1d4w s ASP 33 Ca 0.32 1.96 -0.27 0.00 -0.00 0.00 0.00 52.55 54.56 1d4w s ASP 33 Cb 0.03 -2.57 -0.09 0.00 -0.00 0.00 0.00 42.92 40.29 1d4w s ASP 33 CO 0.13 -0.57 1.28 -0.55 -0.00 0.00 0.00 175.17 175.47 1d4w s SER 34 N -1.77 6.47 -0.08 0.27 0.15 0.01 -4.64 113.70 114.12 1d4w s SER 34 Ca 0.61 2.61 0.18 0.00 0.70 0.00 0.00 55.95 60.05 1d4w s SER 34 Cb -0.19 -2.64 0.63 0.00 -1.71 0.00 0.00 66.02 62.11 1d4w s SER 34 CO 0.23 -0.73 1.54 -1.84 1.20 0.00 0.00 173.24 173.63 1d4w n GLU 35 N 0.31 3.32 0.00 5.44 0.28 -1.26 -4.41 120.64 124.32 1d4w n GLU 35 Ca 0.03 -2.71 0.00 0.00 -0.16 0.00 0.00 57.16 54.32 1d4w n GLU 35 Cb 0.44 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.59 1d4w n GLU 35 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1d4w n SER 36 N 1.01 4.51 -3.96 -1.84 7.64 -1.26 -4.97 113.62 114.75 1d4w n SER 36 Ca 0.23 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.80 1d4w n SER 36 Cb 0.76 0.45 -0.15 0.00 -1.01 0.00 0.00 64.21 64.26 1d4w n SER 36 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1d4w s VAL 37 N -1.90 1.96 0.24 0.44 1.01 -1.26 -5.09 120.40 115.80 1d4w s VAL 37 Ca 0.00 -2.06 -0.31 0.00 0.00 0.00 0.00 61.98 59.61 1d4w s VAL 37 Cb 0.00 -2.42 -0.13 0.00 0.00 0.00 0.00 36.38 33.83 1d4w s VAL 37 CO 0.00 -0.55 1.42 -2.65 0.00 0.00 0.00 175.10 173.32 1d4w n PRO 38 N 4.40 2.09 -0.18 2.72 -0.02 -1.26 -1.79 135.00 140.96 1d4w n PRO 38 Ca 0.01 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1d4w n PRO 38 Cb 0.42 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1d4w n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d4w n GLY 39 N 2.17 1.19 3.85 -1.23 0.00 -1.26 -5.04 105.19 104.87 1d4w n GLY 39 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1d4w n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4w s VAL 40 N -2.67 4.67 0.38 1.61 1.01 -0.74 -4.81 120.40 119.85 1d4w s VAL 40 Ca 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 60.88 1d4w s VAL 40 Cb 0.00 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1d4w s VAL 40 CO 0.00 -0.25 0.06 -0.31 0.00 0.00 0.00 175.10 174.59 1d4w s TYR 41 N -1.96 2.55 -0.09 5.22 1.51 0.02 -0.81 117.35 123.79 1d4w s TYR 41 Ca 0.33 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1d4w s TYR 41 Cb -0.09 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1d4w s TYR 41 CO 0.25 0.39 -0.03 0.00 -1.11 0.00 0.00 175.55 175.06 1d4w s LEU 43 N 1.87 4.12 -0.15 0.00 2.96 -0.05 -1.37 118.68 126.07 1d4w s LEU 43 Ca 0.05 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1d4w s LEU 43 Cb -0.12 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1d4w s LEU 43 CO -0.06 -0.36 -0.17 0.00 -1.32 0.00 0.00 176.35 174.43 1d4w s VAL 45 N 0.76 0.44 -0.05 0.00 0.11 -0.32 -1.59 120.40 119.76 1d4w s VAL 45 Ca -0.07 -0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 1d4w s VAL 45 Cb -0.16 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1d4w s VAL 45 CO 0.00 0.15 1.03 -0.22 -3.33 0.00 0.00 175.10 172.73 1d4w s LEU 46 N 0.13 4.30 -0.13 2.54 2.96 -0.67 -0.64 118.68 127.17 1d4w s LEU 46 Ca -0.01 1.64 -0.04 0.00 -0.22 0.00 0.00 54.13 55.50 1d4w s LEU 46 Cb -0.05 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.14 1d4w s LEU 46 CO -0.00 -0.39 0.17 -0.47 -1.32 0.00 0.00 176.35 174.33 1d4w s TYR 47 N 1.60 -0.14 -1.34 5.38 6.14 -0.16 -0.56 117.35 128.26 1d4w s TYR 47 Ca 0.51 0.35 -0.05 0.00 0.64 0.00 0.00 57.07 58.52 1d4w s TYR 47 Cb -0.21 -0.36 -0.00 0.00 0.42 0.00 0.00 41.96 41.81 1d4w s TYR 47 CO 0.23 -0.40 0.51 0.72 0.64 0.00 0.00 175.55 177.24 1d4w n HIS 48 N 5.32 -1.70 -0.08 4.97 8.25 -1.26 -2.23 115.22 128.49 1d4w n HIS 48 Ca -0.05 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.08 1d4w n HIS 48 Cb 0.50 -3.68 0.00 0.00 1.12 0.00 0.00 29.99 27.93 1d4w n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d4w n GLY 49 N -1.91 2.02 3.52 -1.41 0.00 -1.26 -5.01 105.19 101.14 1d4w n GLY 49 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1d4w n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d4w s TYR 50 N -2.80 2.55 -0.43 1.61 1.51 -0.95 -5.08 117.35 113.77 1d4w s TYR 50 Ca 0.00 -0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1d4w s TYR 50 Cb 0.00 -1.27 0.10 0.00 -0.11 0.00 0.00 41.96 40.67 1d4w s TYR 50 CO 0.00 0.48 0.26 0.42 -1.11 0.00 0.00 175.55 175.60 1d4w s ILE 51 N -1.58 3.95 -0.13 2.71 1.09 -1.26 -0.99 121.20 124.99 1d4w s ILE 51 Ca 0.23 -1.65 -0.29 0.00 -1.10 0.00 0.00 60.65 57.83 1d4w s ILE 51 Cb -0.09 -3.52 -0.01 0.00 -1.06 0.00 0.00 42.46 37.77 1d4w s ILE 51 CO 0.13 -0.60 1.13 -0.31 -0.10 0.00 0.00 174.94 175.18 1d4w s TYR 52 N 1.34 3.24 -0.10 3.97 1.51 0.18 -4.80 117.35 122.69 1d4w s TYR 52 Ca 0.04 1.33 0.03 0.00 -1.01 0.00 0.00 57.07 57.46 1d4w s TYR 52 Cb -0.24 -3.34 0.01 0.00 -0.11 0.00 0.00 41.96 38.28 1d4w s TYR 52 CO -0.00 -0.91 -0.19 0.99 -1.11 0.00 0.00 175.55 174.33 1d4w s THR 53 N 2.67 1.68 -0.22 -0.71 2.01 -1.26 -1.17 115.64 118.63 1d4w s THR 53 Ca 0.51 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1d4w s THR 53 Cb -0.20 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.84 1d4w s THR 53 CO 0.16 0.48 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.15 1d4w s TYR 54 N 0.63 2.97 0.20 4.92 1.51 0.23 -4.94 117.35 122.87 1d4w s TYR 54 Ca -0.14 -1.52 -0.30 0.00 -1.01 0.00 0.00 57.07 54.11 1d4w s TYR 54 Cb -0.16 -2.01 -0.08 0.00 -0.11 0.00 0.00 41.96 39.59 1d4w s TYR 54 CO 0.04 -0.73 1.18 1.03 -1.11 0.00 0.00 175.55 175.96 1d4w s ARG 55 N 1.33 4.51 -0.10 -0.62 0.52 -1.26 -0.87 118.95 122.46 1d4w s ARG 55 Ca 0.02 1.87 0.03 0.00 -0.52 0.00 0.00 55.73 57.12 1d4w s ARG 55 Cb -0.15 -3.23 0.01 0.00 0.52 0.00 0.00 34.95 32.10 1d4w s ARG 55 CO -0.07 -0.04 -0.17 0.08 0.02 0.00 0.00 175.30 175.12 1d4w s VAL 56 N -0.26 1.59 0.10 3.52 1.01 0.69 -0.17 120.40 126.88 1d4w s VAL 56 Ca 0.51 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1d4w s VAL 56 Cb -0.33 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1d4w s VAL 56 CO 0.38 0.46 -0.19 -0.44 0.00 0.00 0.00 175.10 175.31 1d4w s SER 57 N 0.72 2.31 -0.06 3.32 0.01 -0.55 -0.80 113.70 118.65 1d4w s SER 57 Ca -0.12 -0.68 -0.09 0.00 1.31 0.00 0.00 55.95 56.37 1d4w s SER 57 Cb -0.16 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 1d4w s SER 57 CO 0.03 0.01 0.24 -1.58 0.41 0.00 0.00 173.24 172.34 1d4w s GLN 58 N -1.95 3.60 0.56 12.44 0.74 -1.26 -1.68 119.66 132.12 1d4w s GLN 58 Ca 0.05 0.03 -0.12 0.00 0.05 0.00 0.00 55.36 55.37 1d4w s GLN 58 Cb -0.10 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.78 1d4w s GLN 58 CO 0.04 0.73 0.98 0.95 -0.55 0.00 0.00 175.29 177.44 1d4w s THR 59 N -1.09 4.69 -0.68 -0.34 -4.23 0.11 -4.93 115.64 109.17 1d4w s THR 59 Ca 0.20 0.88 0.04 0.00 -1.18 0.00 0.00 61.69 61.63 1d4w s THR 59 Cb -0.14 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 69.92 1d4w s THR 59 CO 0.09 -0.95 1.05 -1.84 -0.54 0.00 0.00 174.62 172.42 1d4w n GLU 60 N -2.29 0.03 -0.01 3.99 0.28 -1.26 -0.52 120.64 120.86 1d4w n GLU 60 Ca 0.05 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 1d4w n GLU 60 Cb 0.54 -1.67 0.01 0.00 1.43 0.00 0.00 31.44 31.75 1d4w n GLU 60 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1d4w n THR 61 N -1.58 0.78 -0.02 3.84 -2.24 -1.26 -5.04 114.28 108.76 1d4w n THR 61 Ca -0.00 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1d4w n THR 61 Cb 0.10 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1d4w n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4w n GLY 62 N -0.32 0.30 3.98 3.38 0.00 0.32 -5.10 105.19 107.76 1d4w n GLY 62 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1d4w n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d4w s SER 63 N -2.38 4.50 0.07 1.61 1.04 -1.26 -4.63 113.70 112.66 1d4w s SER 63 Ca 0.00 -0.23 0.08 0.00 0.48 0.00 0.00 55.95 56.28 1d4w s SER 63 Cb 0.00 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1d4w s SER 63 CO 0.00 -1.74 -0.23 0.26 0.98 0.00 0.00 173.24 172.51 1d4w s TRP 64 N -3.10 1.97 0.09 5.02 0.52 0.22 0.05 118.94 123.71 1d4w s TRP 64 Ca 0.64 -0.39 -0.11 0.00 0.02 0.00 0.00 56.10 56.26 1d4w s TRP 64 Cb -0.06 -1.14 0.01 0.00 -1.15 0.00 0.00 33.47 31.13 1d4w s TRP 64 CO 0.43 0.16 0.25 -1.54 0.02 0.00 0.00 176.95 176.27 1d4w s SER 65 N -1.48 0.01 0.04 2.95 1.04 -0.67 -0.05 113.70 115.54 1d4w s SER 65 Ca 0.09 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1d4w s SER 65 Cb -0.09 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1d4w s SER 65 CO 0.03 -0.74 0.11 0.00 0.98 0.00 0.00 173.24 173.62 1d4w s ALA 66 N -3.66 3.68 0.16 5.32 0.00 -1.26 -1.48 121.76 124.51 1d4w s ALA 66 Ca 0.03 -0.92 -0.34 0.00 0.00 0.00 0.00 51.96 50.73 1d4w s ALA 66 Cb 0.03 -1.58 -0.15 0.00 0.00 0.00 0.00 23.12 21.42 1d4w s ALA 66 CO -0.10 0.75 1.30 -1.91 0.00 0.00 0.00 175.76 175.79 1d4w n GLU 67 N 0.69 1.42 -4.72 0.00 2.13 0.75 -4.89 120.64 116.03 1d4w n GLU 67 Ca -0.09 0.51 -0.24 0.00 0.66 0.00 0.00 57.16 58.00 1d4w n GLU 67 Cb 0.52 -2.10 -0.15 0.00 0.27 0.00 0.00 31.44 29.98 1d4w n GLU 67 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1d4w s THR 68 N 0.13 1.31 0.68 6.31 2.01 -1.26 -4.87 115.64 119.96 1d4w s THR 68 Ca 0.76 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 1d4w s THR 68 Cb -0.82 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1d4w s THR 68 CO 0.49 0.32 1.17 0.00 -0.69 0.00 0.00 174.62 175.90 1d4w s ALA 69 N -0.47 2.31 0.25 7.40 0.00 -1.26 -4.93 121.76 125.06 1d4w s ALA 69 Ca 0.06 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 1d4w s ALA 69 Cb -0.07 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 1d4w s ALA 69 CO -0.00 -1.55 1.42 -2.30 0.00 0.00 0.00 175.76 173.33 1d4w n PRO 70 N -2.45 2.11 -1.09 0.00 -0.02 -1.26 -2.23 135.00 130.06 1d4w n PRO 70 Ca 0.12 0.75 -0.03 0.00 -2.02 0.00 0.00 63.50 62.32 1d4w n PRO 70 Cb 0.51 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1d4w n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d4w n GLY 71 N 2.09 0.63 3.22 -1.23 0.00 -1.26 -5.05 105.19 103.59 1d4w n GLY 71 Ca 0.11 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1d4w n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4w s VAL 72 N -2.08 1.76 0.05 1.61 1.01 -0.95 -5.09 120.40 116.71 1d4w s VAL 72 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1d4w s VAL 72 Cb 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 1d4w s VAL 72 CO 0.00 0.50 1.66 -2.28 0.00 0.00 0.00 175.10 174.98 1d4w s HIS 73 N -0.19 2.31 0.09 5.22 5.65 -1.26 -4.83 115.29 122.28 1d4w s HIS 73 Ca -0.00 0.28 -0.30 0.00 0.25 0.00 0.00 55.06 55.28 1d4w s HIS 73 Cb -0.12 -3.96 -0.05 0.00 -1.18 0.00 0.00 32.58 27.27 1d4w s HIS 73 CO 0.02 -3.91 1.00 0.21 -0.65 0.00 0.00 174.74 171.41 1d4w s LYS 74 N 2.91 4.62 -0.12 2.88 2.20 -1.26 -5.05 119.74 125.93 1d4w s LYS 74 Ca 0.74 1.51 -0.09 0.00 -0.36 0.00 0.00 55.97 57.77 1d4w s LYS 74 Cb -0.39 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1d4w s LYS 74 CO 0.32 0.08 0.19 1.03 -0.36 0.00 0.00 175.35 176.62 1d4w s ARG 75 N 0.31 3.70 0.14 4.03 0.52 -1.26 -5.10 118.95 121.29 1d4w s ARG 75 Ca 0.50 -0.04 0.06 0.00 -0.52 0.00 0.00 55.73 55.72 1d4w s ARG 75 Cb -0.24 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1d4w s ARG 75 CO 0.30 0.64 0.01 0.71 0.02 0.00 0.00 175.30 176.99 1d4w s TYR 76 N -0.69 2.93 -0.01 -0.53 2.02 -1.26 -4.42 117.35 115.39 1d4w s TYR 76 Ca 0.15 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1d4w s TYR 76 Cb -0.13 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1d4w s TYR 76 CO 0.04 0.50 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.42 1d4w s PHE 77 N -1.55 0.50 0.11 2.71 0.40 0.92 -4.89 117.98 116.17 1d4w s PHE 77 Ca 0.27 -0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.33 1d4w s PHE 77 Cb -0.10 -0.35 -0.05 0.00 0.51 0.00 0.00 43.02 43.02 1d4w s PHE 77 CO 0.19 -0.04 1.64 0.00 0.70 0.00 0.00 175.22 177.71 1d4w h ARG 78 N 6.23 0.46 -6.15 0.44 3.08 -1.90 0.63 114.38 117.17 1d4w h ARG 78 Ca -0.30 -0.09 -0.68 0.00 0.07 0.00 0.00 59.98 58.98 1d4w h ARG 78 Cb 1.18 -0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.99 1d4w h ARG 78 CO 0.50 0.50 -0.67 0.15 -1.07 0.00 0.00 179.97 179.37 1d4w s LYS 79 N -5.46 2.75 0.40 0.04 -0.14 -1.26 -4.58 119.74 111.49 1d4w s LYS 79 Ca -0.13 -0.57 0.08 0.00 -1.36 0.00 0.00 55.97 53.98 1d4w s LYS 79 Cb 0.09 -2.62 0.83 0.00 -1.68 0.00 0.00 37.83 34.45 1d4w s LYS 79 CO 0.74 0.65 2.00 0.97 -0.76 0.00 0.00 175.35 178.94 1d4w h ILE 80 N 3.98 1.13 0.00 2.17 2.10 -1.95 -1.25 117.51 123.69 1d4w h ILE 80 Ca -0.49 -0.43 -0.04 0.00 1.08 0.00 0.00 64.86 64.97 1d4w h ILE 80 Cb 1.18 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1d4w h ILE 80 CO 0.54 0.16 -0.21 0.07 -1.08 0.00 0.00 178.15 177.63 1d4w h LYS 81 N 0.41 0.00 -0.23 2.19 2.10 -1.98 0.09 116.57 119.15 1d4w h LYS 81 Ca 0.10 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.61 1d4w h LYS 81 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1d4w h LYS 81 CO -0.01 0.21 -0.41 -0.91 -2.00 0.00 0.00 179.45 176.33 1d4w h ASN 82 N 0.00 0.77 -0.63 7.07 2.35 -1.65 0.10 115.58 123.59 1d4w h ASN 82 Ca -0.00 -0.53 -0.02 0.00 -0.55 0.00 0.00 56.30 55.19 1d4w h ASN 82 Cb 0.40 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1d4w h ASN 82 CO 0.03 1.16 0.31 0.25 -1.65 0.00 0.00 177.43 177.53 1d4w h LEU 83 N 0.41 0.82 -0.59 1.61 6.46 -1.06 -0.96 115.31 122.00 1d4w h LEU 83 Ca 0.01 -0.13 -0.08 0.00 -0.12 0.00 0.00 57.88 57.57 1d4w h LEU 83 Cb 1.01 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1d4w h LEU 83 CO 0.09 0.72 0.06 0.40 -0.62 0.00 0.00 178.44 179.09 1d4w h ILE 84 N 0.87 1.26 -0.74 4.05 2.04 -0.89 -2.63 117.51 121.47 1d4w h ILE 84 Ca 0.22 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1d4w h ILE 84 Cb 0.11 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1d4w h ILE 84 CO -0.03 0.39 0.34 0.28 0.00 0.00 0.00 178.15 179.12 1d4w h SER 85 N 0.91 0.97 -0.49 1.72 0.02 -0.49 -2.59 113.55 113.61 1d4w h SER 85 Ca 0.18 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1d4w h SER 85 Cb 0.48 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1d4w h SER 85 CO 0.02 0.83 0.29 0.00 -1.14 0.00 0.00 176.83 176.83 1d4w h ALA 86 N 1.31 0.62 -0.01 3.77 0.00 -0.85 -2.61 119.26 121.49 1d4w h ALA 86 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1d4w h ALA 86 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1d4w h ALA 86 CO -0.03 -0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.40 1d4w n PHE 87 N -4.81 0.01 0.77 0.00 3.01 -1.02 -1.96 117.46 113.46 1d4w n PHE 87 Ca 0.03 -0.01 0.13 0.00 1.01 0.00 0.00 57.45 58.62 1d4w n PHE 87 Cb 0.07 0.00 0.48 0.00 -0.01 0.00 0.00 39.48 40.02 1d4w n PHE 87 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1d4w n GLN 88 N -0.70 0.16 -2.81 -1.08 6.02 -0.98 -1.64 117.38 116.35 1d4w n GLN 88 Ca 0.20 0.13 -0.31 0.00 -0.01 0.00 0.00 57.00 57.01 1d4w n GLN 88 Cb 0.15 -1.68 -0.04 0.00 1.02 0.00 0.00 30.24 29.68 1d4w n GLN 88 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1d4w s LYS 89 N -3.06 3.83 0.54 -1.09 1.02 -0.83 -4.54 119.74 115.61 1d4w s LYS 89 Ca 0.12 0.57 -0.20 0.00 0.02 0.00 0.00 55.97 56.48 1d4w s LYS 89 Cb 0.15 -2.35 -0.06 0.00 -0.52 0.00 0.00 37.83 35.05 1d4w s LYS 89 CO 0.58 -0.05 1.15 -2.14 -0.92 0.00 0.00 175.35 173.97 1d4w s PRO 90 N -3.78 3.36 -1.13 -1.68 0.02 -1.26 -4.23 135.00 126.30 1d4w s PRO 90 Ca 0.53 1.69 -0.04 0.00 0.02 0.00 0.00 61.00 63.20 1d4w s PRO 90 Cb -0.10 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 1d4w s PRO 90 CO 0.30 -0.86 0.94 -3.47 -0.33 0.00 0.00 177.00 173.57 1d4w n ASP 91 N -1.20 -4.32 -0.51 2.53 4.64 -1.26 -4.94 116.55 111.48 1d4w n ASP 91 Ca 0.11 -0.69 0.05 0.00 -1.38 0.00 0.00 54.79 52.88 1d4w n ASP 91 Cb 0.50 -5.04 0.11 0.00 -1.04 0.00 0.00 41.12 35.66 1d4w n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1d4w n GLN 92 N -3.71 2.43 -0.30 -0.67 1.13 -1.26 -4.98 117.38 110.02 1d4w n GLN 92 Ca -0.18 -1.81 0.00 0.00 -1.94 0.00 0.00 57.00 53.07 1d4w n GLN 92 Cb 0.64 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.77 1d4w n GLN 92 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d4w n GLY 93 N 0.39 0.82 3.66 1.08 0.00 -1.26 -5.06 105.19 104.82 1d4w n GLY 93 Ca 0.09 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1d4w n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d4w s ILE 94 N -2.00 2.23 0.22 -0.61 -4.36 -1.26 -5.05 121.20 110.37 1d4w s ILE 94 Ca 0.00 -1.90 -0.06 0.00 -0.26 0.00 0.00 60.65 58.43 1d4w s ILE 94 Cb 0.00 -2.94 0.11 0.00 1.25 0.00 0.00 42.46 40.88 1d4w s ILE 94 CO 0.00 -0.05 1.72 1.62 0.24 0.00 0.00 174.94 178.47 1d4w h VAL 95 N 1.68 1.25 -3.05 8.37 3.04 -1.99 -3.43 116.25 122.12 1d4w h VAL 95 Ca -0.43 -1.02 -0.11 0.00 -1.01 0.00 0.00 66.70 64.13 1d4w h VAL 95 Cb 1.25 0.72 -0.19 0.00 -2.01 0.00 0.00 31.29 31.06 1d4w h VAL 95 CO 0.74 0.37 -0.24 -0.51 -1.01 0.00 0.00 177.57 176.92 1d4w s ILE 96 N -5.12 0.06 0.67 3.17 2.07 -1.26 -5.13 121.20 115.66 1d4w s ILE 96 Ca -0.11 -0.51 -0.16 0.00 -1.41 0.00 0.00 60.65 58.46 1d4w s ILE 96 Cb 0.15 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 42.01 1d4w s ILE 96 CO 0.83 -0.28 1.19 -2.84 -1.91 0.00 0.00 174.94 171.93 1d4w s PRO 97 N -1.68 2.55 -0.11 3.50 0.02 -1.26 -4.96 135.00 133.06 1d4w s PRO 97 Ca -0.11 1.70 -0.29 0.00 0.02 0.00 0.00 61.00 62.32 1d4w s PRO 97 Cb -0.04 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1d4w s PRO 97 CO 0.02 -1.50 1.68 -0.51 -0.33 0.00 0.00 177.00 176.36 1d4w s LEU 98 N -4.74 4.14 0.00 -5.54 1.43 -0.65 -4.69 118.68 108.63 1d4w s LEU 98 Ca 0.74 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 1d4w s LEU 98 Cb -0.28 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1d4w s LEU 98 CO 0.40 -1.09 0.00 0.00 0.23 0.00 0.00 176.35 175.89 1d4w n GLN 99 N 7.40 0.00 -3.96 1.70 6.02 0.58 -4.39 117.38 124.74 1d4w n GLN 99 Ca 0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.87 1d4w n GLN 99 Cb 0.44 -0.82 -0.15 0.00 1.02 0.00 0.00 30.24 30.73 1d4w n GLN 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1d4w s TYR 100 N -1.81 3.11 0.23 1.08 1.51 -0.75 -4.97 117.35 115.74 1d4w s TYR 100 Ca 0.00 -2.51 -0.30 0.00 -1.01 0.00 0.00 57.07 53.25 1d4w s TYR 100 Cb 0.00 -2.40 -0.10 0.00 -0.11 0.00 0.00 41.96 39.36 1d4w s TYR 100 CO 0.00 -0.90 1.40 -2.14 -1.11 0.00 0.00 175.55 172.80 1d4w s PRO 101 N 1.13 4.31 -0.47 -1.71 0.02 -1.26 -1.45 135.00 135.57 1d4w s PRO 101 Ca 0.06 2.22 -0.13 0.00 0.02 0.00 0.00 61.00 63.17 1d4w s PRO 101 Cb -0.19 -3.14 0.09 0.00 0.02 0.00 0.00 34.50 31.28 1d4w s PRO 101 CO -0.11 -0.37 0.37 0.08 -0.33 0.00 0.00 177.00 176.64 1d4w s VAL 102 N 0.09 4.81 0.20 3.83 1.01 -0.24 -4.85 120.40 125.24 1d4w s VAL 102 Ca 0.59 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1d4w s VAL 102 Cb -0.40 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1d4w s VAL 102 CO 0.41 -0.64 0.31 -1.61 0.00 0.00 0.00 175.10 173.57 1d4w s GLU 103 N 1.53 3.39 0.00 2.72 2.02 -1.26 -4.57 118.70 122.53 1d4w s GLU 103 Ca 0.04 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1d4w s GLU 103 Cb -0.25 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1d4w s GLU 103 CO 0.04 0.47 0.37 1.63 0.02 0.00 0.00 175.26 177.78