#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlu s ARG 3 N 0.00 3.50 0.24 1.61 3.52 -1.26 -1.53 118.95 125.03 3dlu s ARG 3 Ca 0.00 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.12 3dlu s ARG 3 Cb 0.00 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 30.34 3dlu s ARG 3 CO 0.00 0.56 0.61 -0.59 -0.81 0.00 0.00 175.30 175.07 3dlu s PHE 4 N -0.45 -0.09 0.08 5.12 -0.71 -0.43 -5.00 117.98 116.50 3dlu s PHE 4 Ca 0.10 -0.30 -0.14 0.00 -1.04 0.00 0.00 56.93 55.55 3dlu s PHE 4 Cb -0.12 0.51 -0.06 0.00 -1.21 0.00 0.00 43.02 42.14 3dlu s PHE 4 CO 0.02 -1.07 0.48 0.54 -1.34 0.00 0.00 175.22 173.85 3dlu s VAL 5 N -3.91 4.94 -0.19 -2.49 0.11 -1.26 -1.43 120.40 116.17 3dlu s VAL 5 Ca 0.12 0.79 -0.02 0.00 -2.93 0.00 0.00 61.98 59.94 3dlu s VAL 5 Cb -0.03 -3.73 -0.00 0.00 -1.53 0.00 0.00 36.38 31.09 3dlu s VAL 5 CO 0.03 0.38 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.39 3dlu s VAL 6 N -1.30 2.97 -0.23 2.04 1.01 0.17 -4.97 120.40 120.09 3dlu s VAL 6 Ca 0.32 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 3dlu s VAL 6 Cb -0.16 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3dlu s VAL 6 CO 0.17 0.48 0.03 0.86 0.00 0.00 0.00 175.10 176.64 3dlu s TRP 7 N 1.17 3.05 0.43 5.22 -0.00 -1.26 -1.26 118.94 126.29 3dlu s TRP 7 Ca 0.02 -0.52 0.19 0.00 -0.00 0.00 0.00 56.10 55.79 3dlu s TRP 7 Cb -0.14 -2.17 1.14 0.00 -0.00 0.00 0.00 33.47 32.29 3dlu s TRP 7 CO -0.03 -0.36 1.85 -1.35 -0.00 0.00 0.00 176.95 177.05 3dlu h PRO 8 N 8.00 0.34 -0.02 5.86 0.11 -1.91 0.15 132.00 144.54 3dlu h PRO 8 Ca -0.38 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.71 3dlu h PRO 8 Cb 1.17 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3dlu h PRO 8 CO 0.59 0.23 0.03 0.77 -0.21 0.00 0.00 178.00 179.41 3dlu h SER 9 N 0.36 0.00 -0.12 -2.05 0.02 -1.91 -1.98 113.55 107.87 3dlu h SER 9 Ca 0.48 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.47 3dlu h SER 9 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 3dlu h SER 9 CO -0.17 0.00 0.11 -0.33 -1.14 0.00 0.00 176.83 175.30 3dlu h GLU 10 N 0.00 0.00 -0.08 3.45 5.08 -0.81 -2.71 114.58 119.50 3dlu h GLU 10 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3dlu h GLU 10 Cb 0.07 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 3dlu h GLU 10 CO -0.00 0.00 -0.62 1.47 -1.00 0.00 0.00 179.01 178.86 3dlu n LEU 11 N -4.07 2.67 -4.38 1.33 -0.00 -0.75 -0.43 117.00 111.37 3dlu n LEU 11 Ca -0.00 -3.71 -0.41 0.00 -0.00 0.00 0.00 56.01 51.89 3dlu n LEU 11 Cb 0.23 -0.42 -0.11 0.00 -0.00 0.00 0.00 43.42 43.12 3dlu n LEU 11 CO 0.30 1.35 -0.15 -0.62 -0.00 0.00 0.00 177.39 178.26 3dlu s ASP 12 N -3.11 5.75 0.30 1.45 -1.08 -1.03 -2.01 116.67 116.95 3dlu s ASP 12 Ca 0.39 -0.99 0.24 0.00 -0.52 0.00 0.00 52.55 51.66 3dlu s ASP 12 Cb 0.38 -2.03 1.09 0.00 -1.46 0.00 0.00 42.92 40.89 3dlu s ASP 12 CO -0.07 -0.39 1.73 0.77 0.52 0.00 0.00 175.17 177.72 3dlu h SER 13 N 8.45 0.00 1.23 -0.34 4.64 -1.18 -1.70 113.55 124.65 3dlu h SER 13 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3dlu h SER 13 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3dlu h SER 13 CO 0.67 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.66 3dlu h ARG 14 N 0.00 0.00 -6.05 4.77 3.08 -1.93 -3.46 114.38 110.80 3dlu h ARG 14 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3dlu h ARG 14 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 3dlu h ARG 14 CO 0.00 0.00 -0.54 -0.51 -1.07 0.00 0.00 179.97 177.85 3dlu s LEU 15 N -5.58 4.10 0.79 3.04 1.43 -0.64 -5.11 118.68 116.72 3dlu s LEU 15 Ca 0.04 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 3dlu s LEU 15 Cb 0.09 -2.73 0.07 0.00 0.03 0.00 0.00 46.19 43.64 3dlu s LEU 15 CO 0.54 0.16 1.12 -0.94 0.23 0.00 0.00 176.35 177.46 3dlu s SER 16 N -2.53 4.62 0.34 2.29 1.04 -1.26 -4.70 113.70 113.50 3dlu s SER 16 Ca 0.32 1.10 0.01 0.00 0.48 0.00 0.00 55.95 57.87 3dlu s SER 16 Cb -0.12 -1.78 0.60 0.00 0.10 0.00 0.00 66.02 64.81 3dlu s SER 16 CO 0.25 -1.87 2.00 0.03 0.98 0.00 0.00 173.24 174.64 3dlu h ARG 17 N -1.02 0.87 -0.48 4.02 3.08 -1.94 -1.98 114.38 116.93 3dlu h ARG 17 Ca -0.47 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 59.59 3dlu h ARG 17 Cb 1.29 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 3dlu h ARG 17 CO 0.62 0.58 0.33 0.87 -1.07 0.00 0.00 179.97 181.30 3dlu h LYS 18 N 0.90 0.37 -0.47 0.04 1.57 -1.93 -0.79 116.57 116.26 3dlu h LYS 18 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3dlu h LYS 18 Cb -0.09 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3dlu h LYS 18 CO -0.05 0.25 0.00 0.66 -0.57 0.00 0.00 179.45 179.73 3dlu n TYR 19 N -4.47 0.65 0.00 -1.35 4.02 -0.77 -4.92 117.16 110.32 3dlu n TYR 19 Ca 0.07 -0.31 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 3dlu n TYR 19 Cb 0.27 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 3dlu n TYR 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dlu n GLY 20 N 1.19 1.62 3.75 2.72 0.00 -0.30 -4.89 105.19 109.27 3dlu n GLY 20 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3dlu n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlu s ARG 21 N 0.00 4.30 -0.00 1.61 3.52 -1.08 -3.88 118.95 123.42 3dlu s ARG 21 Ca 0.00 2.24 0.01 0.00 -0.13 0.00 0.00 55.73 57.85 3dlu s ARG 21 Cb 0.00 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 3dlu s ARG 21 CO 0.00 -0.37 0.02 -0.89 -0.81 0.00 0.00 175.30 173.25 3dlu n ILE 22 N 2.28 0.00 -4.15 4.11 2.08 0.42 -4.27 119.36 119.84 3dlu n ILE 22 Ca 0.06 -0.19 -0.24 0.00 0.56 0.00 0.00 62.75 62.94 3dlu n ILE 22 Cb 0.41 0.68 -0.06 0.00 -0.75 0.00 0.00 39.64 39.92 3dlu n ILE 22 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3dlu s VAL 23 N -1.66 4.18 0.51 1.39 -7.23 -1.13 -5.07 120.40 111.40 3dlu s VAL 23 Ca -0.00 -1.41 -0.22 0.00 -1.81 0.00 0.00 61.98 58.54 3dlu s VAL 23 Cb 0.00 -3.20 -0.07 0.00 0.56 0.00 0.00 36.38 33.67 3dlu s VAL 23 CO 0.02 -0.26 1.15 -2.65 -0.31 0.00 0.00 175.10 173.05 3dlu n PRO 24 N -0.76 1.43 -0.34 4.82 -0.02 -1.26 -4.69 135.00 134.18 3dlu n PRO 24 Ca -0.08 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 3dlu n PRO 24 Cb 0.57 -2.30 0.19 0.00 -0.02 0.00 0.00 33.50 31.94 3dlu n PRO 24 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3dlu h ARG 25 N 1.30 1.11 0.00 -0.52 2.43 -1.95 -0.91 114.38 115.84 3dlu h ARG 25 Ca -0.48 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 3dlu h ARG 25 Cb 1.33 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3dlu h ARG 25 CO 0.56 0.73 -0.22 0.66 -1.51 0.00 0.00 179.97 180.19 3dlu h SER 26 N 1.14 0.00 0.12 -3.80 4.64 -1.97 -3.08 113.55 110.61 3dlu h SER 26 Ca 0.40 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.52 3dlu h SER 26 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3dlu h SER 26 CO -0.14 0.22 -0.93 0.40 -0.87 0.00 0.00 176.83 175.51 3dlu h ILE 27 N 0.00 1.39 -3.20 0.95 2.04 -1.57 -3.46 117.51 113.66 3dlu h ILE 27 Ca -0.00 -2.48 -0.56 0.00 1.00 0.00 0.00 64.86 62.82 3dlu h ILE 27 Cb 0.57 3.06 0.19 0.00 -0.74 0.00 0.00 36.82 39.91 3dlu h ILE 27 CO 0.03 0.69 -0.45 0.00 0.00 0.00 0.00 178.15 178.42 3dlu n ALA 28 N -2.76 -1.71 -2.48 1.87 0.00 -0.47 -4.32 120.51 110.63 3dlu n ALA 28 Ca -0.17 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 3dlu n ALA 28 Cb 0.82 -1.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 3dlu n ALA 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3dlu s VAL 29 N -1.97 2.47 0.03 0.00 -7.23 -0.85 -4.56 120.40 108.29 3dlu s VAL 29 Ca 0.64 -2.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 3dlu s VAL 29 Cb -0.33 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 3dlu s VAL 29 CO 0.59 -0.38 1.28 -1.83 -0.31 0.00 0.00 175.10 174.45 3dlu s GLU 30 N -3.52 4.36 -1.12 4.82 1.03 -1.26 -0.75 118.70 122.26 3dlu s GLU 30 Ca 0.30 1.84 -0.24 0.00 0.03 0.00 0.00 54.97 56.91 3dlu s GLU 30 Cb -0.04 -3.43 0.01 0.00 -0.80 0.00 0.00 34.13 29.86 3dlu s GLU 30 CO 0.15 -0.40 0.73 0.43 -1.33 0.00 0.00 175.26 174.84 3dlu n SER 31 N 4.56 -4.96 -4.73 0.83 7.64 -1.26 -4.85 113.62 110.86 3dlu n SER 31 Ca 0.11 -1.08 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 3dlu n SER 31 Cb 0.45 -2.66 -0.03 0.00 -1.01 0.00 0.00 64.21 60.96 3dlu n SER 31 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3dlu s PRO 32 N -6.31 4.26 0.32 1.43 0.04 -1.26 -4.98 135.00 128.49 3dlu s PRO 32 Ca 0.42 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.63 3dlu s PRO 32 Cb -0.19 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 3dlu s PRO 32 CO 0.90 -0.51 0.67 1.03 0.04 0.00 0.00 177.00 179.13 3dlu s ARG 33 N 0.68 3.83 0.23 4.56 0.52 -1.26 -4.90 118.95 122.61 3dlu s ARG 33 Ca 0.65 0.41 -0.06 0.00 -0.52 0.00 0.00 55.73 56.22 3dlu s ARG 33 Cb -0.42 -2.51 0.39 0.00 0.52 0.00 0.00 34.95 32.94 3dlu s ARG 33 CO 0.34 0.15 1.75 0.28 0.02 0.00 0.00 175.30 177.84 3dlu h VAL 34 N 1.63 0.74 -0.11 3.52 2.07 -1.97 -0.96 116.25 121.17 3dlu h VAL 34 Ca -0.47 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3dlu h VAL 34 Cb 1.18 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3dlu h VAL 34 CO 0.66 0.09 -0.22 -0.33 0.02 0.00 0.00 177.57 177.79 3dlu h GLU 35 N 0.50 0.19 -0.39 1.57 3.07 -1.99 -0.94 114.58 116.60 3dlu h GLU 35 Ca 0.38 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 59.04 3dlu h GLU 35 Cb 0.50 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3dlu h GLU 35 CO -0.34 0.41 -0.34 0.93 -1.40 0.00 0.00 179.01 178.26 3dlu h GLU 36 N 0.18 0.91 -0.71 2.33 5.08 -1.61 -0.73 114.58 120.04 3dlu h GLU 36 Ca 0.03 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 3dlu h GLU 36 Cb 0.49 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3dlu h GLU 36 CO 0.03 1.12 0.30 0.82 -1.00 0.00 0.00 179.01 180.29 3dlu h ILE 37 N 0.73 1.24 -0.29 3.13 2.04 -0.83 0.19 117.51 123.73 3dlu h ILE 37 Ca 0.07 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3dlu h ILE 37 Cb 0.93 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3dlu h ILE 37 CO 0.09 0.30 0.05 0.58 0.00 0.00 0.00 178.15 179.17 3dlu h VAL 38 N 1.00 1.23 -0.43 1.67 2.07 -1.05 -0.05 116.25 120.70 3dlu h VAL 38 Ca 0.24 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3dlu h VAL 38 Cb 0.18 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3dlu h VAL 38 CO -0.02 0.25 0.24 -0.09 0.02 0.00 0.00 177.57 177.97 3dlu h ARG 39 N 0.30 0.46 -0.41 1.57 2.43 -0.94 -1.60 114.38 116.19 3dlu h ARG 39 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3dlu h ARG 39 Cb 0.32 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3dlu h ARG 39 CO 0.00 0.31 0.27 0.00 -1.51 0.00 0.00 179.97 179.04 3dlu h ALA 40 N 1.21 0.52 -0.66 2.80 0.00 -0.79 -1.54 119.26 120.80 3dlu h ALA 40 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3dlu h ALA 40 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3dlu h ALA 40 CO -0.10 -0.03 0.42 0.00 0.00 0.00 0.00 179.25 179.54 3dlu h ALA 41 N 1.15 0.86 -0.32 0.00 0.00 -0.68 -0.07 119.26 120.19 3dlu h ALA 41 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dlu h ALA 41 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3dlu h ALA 41 CO -0.03 0.20 0.04 0.93 0.00 0.00 0.00 179.25 180.39 3dlu h GLU 42 N 0.84 0.54 -0.26 0.00 5.08 -1.16 0.18 114.58 119.81 3dlu h GLU 42 Ca 0.26 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3dlu h GLU 42 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3dlu h GLU 42 CO -0.09 0.64 0.10 0.93 -1.00 0.00 0.00 179.01 179.59 3dlu h GLU 43 N 0.36 0.36 -0.00 2.33 5.08 -0.91 -1.07 114.58 120.72 3dlu h GLU 43 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dlu h GLU 43 Cb 0.37 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3dlu h GLU 43 CO 0.01 0.31 -0.01 1.28 -1.00 0.00 0.00 179.01 179.60 3dlu n LEU 44 N -4.42 0.26 -1.04 1.33 4.77 -0.07 -4.90 117.00 112.92 3dlu n LEU 44 Ca 0.01 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 3dlu n LEU 44 Cb 0.13 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3dlu n LEU 44 CO 0.36 0.04 -0.12 0.29 -1.33 0.00 0.00 177.39 176.63 3dlu n LYS 45 N -0.84 -0.77 -2.29 3.23 4.76 -0.41 -5.03 118.16 116.82 3dlu n LYS 45 Ca 0.22 0.57 -0.29 0.00 -2.87 0.00 0.00 58.31 55.93 3dlu n LYS 45 Cb 0.17 -4.59 0.00 0.00 -1.84 0.00 0.00 35.03 28.78 3dlu n LYS 45 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3dlu s PHE 46 N -2.46 3.59 -0.19 2.13 0.08 0.58 -4.96 117.98 116.74 3dlu s PHE 46 Ca 0.00 1.06 -0.09 0.00 0.12 0.00 0.00 56.93 58.02 3dlu s PHE 46 Cb 0.00 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 3dlu s PHE 46 CO 0.00 -0.46 0.09 0.21 -0.10 0.00 0.00 175.22 174.96 3dlu s LYS 47 N -4.89 4.08 -0.24 0.44 2.20 -0.43 -4.42 119.74 116.48 3dlu s LYS 47 Ca 0.51 -0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.65 3dlu s LYS 47 Cb -0.11 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 3dlu s LYS 47 CO 0.48 0.28 0.57 0.08 -0.36 0.00 0.00 175.35 176.41 3dlu s VAL 48 N 0.37 5.04 -0.26 4.02 1.01 -1.26 -0.51 120.40 128.81 3dlu s VAL 48 Ca 0.05 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 3dlu s VAL 48 Cb -0.12 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 3dlu s VAL 48 CO -0.01 0.09 -0.25 -0.38 0.00 0.00 0.00 175.10 174.55 3dlu n ILE 49 N 4.98 1.53 -3.83 2.22 2.08 0.12 -5.00 119.36 121.45 3dlu n ILE 49 Ca -0.03 -0.42 -0.12 0.00 0.56 0.00 0.00 62.75 62.74 3dlu n ILE 49 Cb 0.50 -1.76 -0.12 0.00 -0.75 0.00 0.00 39.64 37.50 3dlu n ILE 49 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3dlu s ARG 50 N -2.50 0.18 -0.10 0.38 3.52 -1.04 -4.95 118.95 114.44 3dlu s ARG 50 Ca -0.36 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 3dlu s ARG 50 Cb 0.12 0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 3dlu s ARG 50 CO 0.54 -0.03 -0.08 0.08 -0.81 0.00 0.00 175.30 175.01 3dlu s VAL 51 N -0.07 0.97 -0.03 7.11 1.01 -1.26 -0.50 120.40 127.63 3dlu s VAL 51 Ca -0.01 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3dlu s VAL 51 Cb -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3dlu s VAL 51 CO 0.00 0.35 -0.19 -0.70 0.00 0.00 0.00 175.10 174.56 3dlu s GLU 52 N 1.48 1.72 -0.08 2.72 -6.30 -0.35 -5.01 118.70 112.87 3dlu s GLU 52 Ca 0.00 -0.68 -0.06 0.00 -2.50 0.00 0.00 54.97 51.73 3dlu s GLU 52 Cb -0.13 -1.58 0.03 0.00 0.00 0.00 0.00 34.13 32.44 3dlu s GLU 52 CO -0.05 0.35 0.20 -2.00 0.02 0.00 0.00 175.26 173.78 3dlu s GLU 53 N -0.26 0.21 -0.09 4.30 2.12 -1.26 -1.53 118.70 122.19 3dlu s GLU 53 Ca 0.03 0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.71 3dlu s GLU 53 Cb -0.09 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.35 3dlu s GLU 53 CO 0.01 -0.07 -0.14 0.34 -0.54 0.00 0.00 175.26 174.86 3dlu s ASP 54 N 0.43 2.18 -0.14 -1.70 2.15 0.10 -4.97 116.67 114.72 3dlu s ASP 54 Ca -0.03 -0.37 0.02 0.00 0.43 0.00 0.00 52.55 52.60 3dlu s ASP 54 Cb -0.04 -0.98 0.01 0.00 -0.30 0.00 0.00 42.92 41.61 3dlu s ASP 54 CO -0.02 0.02 -0.20 -0.54 -0.17 0.00 0.00 175.17 174.26 3dlu s LYS 55 N 0.88 2.81 -0.05 4.34 1.02 -1.26 -0.59 119.74 126.90 3dlu s LYS 55 Ca -0.10 -0.78 0.06 0.00 0.02 0.00 0.00 55.97 55.17 3dlu s LYS 55 Cb -0.15 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 3dlu s LYS 55 CO 0.01 -0.05 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.65 3dlu s LEU 56 N 0.92 2.02 -0.17 3.17 1.43 0.83 -4.92 118.68 121.96 3dlu s LEU 56 Ca -0.06 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 3dlu s LEU 56 Cb -0.15 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 3dlu s LEU 56 CO -0.03 0.23 1.16 0.21 0.23 0.00 0.00 176.35 178.15 3dlu s ASN 57 N -0.16 7.03 0.02 2.29 3.84 -1.26 -0.47 114.94 126.23 3dlu s ASN 57 Ca -0.02 1.58 -0.27 0.00 0.21 0.00 0.00 52.86 54.36 3dlu s ASN 57 Cb -0.12 -2.54 -0.16 0.00 -0.55 0.00 0.00 41.25 37.87 3dlu s ASN 57 CO 0.03 -0.69 1.24 -0.65 -2.79 0.00 0.00 177.10 174.23 3dlu h PRO 58 N 7.79 -0.76 -0.65 0.43 0.11 -1.99 -3.48 132.00 133.45 3dlu h PRO 58 Ca -0.25 0.05 0.09 0.00 0.11 0.00 0.00 66.00 66.01 3dlu h PRO 58 Cb 1.10 0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 3dlu h PRO 58 CO 0.96 -0.45 -0.44 1.49 -0.21 0.00 0.00 178.00 179.35 3dlu h GLU 66 N -1.05 -0.18 -6.53 1.05 4.81 -2.07 -3.51 114.58 107.10 3dlu h GLU 66 Ca -0.08 0.01 -0.70 0.00 -0.13 0.00 0.00 59.36 58.46 3dlu h GLU 66 Cb 0.66 0.04 -0.28 0.00 0.63 0.00 0.00 28.75 29.81 3dlu h GLU 66 CO 0.13 -0.12 -0.85 -0.51 -0.73 0.00 0.00 179.01 176.93 3dlu s LEU 67 N -10.62 2.28 0.01 1.64 1.43 -1.26 -5.04 118.68 107.11 3dlu s LEU 67 Ca -0.14 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 3dlu s LEU 67 Cb 0.14 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 3dlu s LEU 67 CO 0.66 0.32 1.20 -0.13 0.23 0.00 0.00 176.35 178.64 3dlu s ARG 68 N -0.69 4.40 0.03 1.70 0.52 0.38 -4.78 118.95 120.51 3dlu s ARG 68 Ca 0.11 1.72 0.05 0.00 -0.52 0.00 0.00 55.73 57.09 3dlu s ARG 68 Cb -0.10 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 3dlu s ARG 68 CO -0.00 -0.34 -0.09 0.99 0.02 0.00 0.00 175.30 175.88 3dlu s THR 69 N 1.59 3.44 -0.02 0.02 2.01 -1.26 -0.12 115.64 121.30 3dlu s THR 69 Ca 0.58 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 3dlu s THR 69 Cb -0.27 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.73 3dlu s THR 69 CO 0.26 0.32 0.06 -0.36 -0.69 0.00 0.00 174.62 174.21 3dlu s PHE 70 N -1.03 -0.04 0.04 4.92 0.40 0.25 -4.98 117.98 117.53 3dlu s PHE 70 Ca 0.18 0.11 -0.26 0.00 -0.60 0.00 0.00 56.93 56.35 3dlu s PHE 70 Cb -0.11 0.01 0.09 0.00 0.51 0.00 0.00 43.02 43.52 3dlu s PHE 70 CO 0.09 -0.05 1.21 0.20 0.70 0.00 0.00 175.22 177.37 3dlu s GLY 71 N -0.10 -0.04 0.02 4.36 0.00 -1.26 0.01 107.32 110.30 3dlu s GLY 71 Ca -0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.32 3dlu s GLY 71 CO 0.00 4.93 0.73 -3.16 0.00 0.00 0.00 173.10 175.60 3dlu s MET 72 N -2.03 1.03 -0.03 2.90 0.23 -0.58 -4.43 119.30 116.38 3dlu s MET 72 Ca 0.28 -0.12 0.02 0.00 -1.03 0.00 0.00 55.69 54.84 3dlu s MET 72 Cb -0.01 0.48 0.01 0.00 -1.53 0.00 0.00 34.83 33.77 3dlu s MET 72 CO 0.01 -0.40 -0.08 0.42 -2.03 0.00 0.00 175.02 172.95 3dlu s ILE 73 N -2.46 0.72 -0.20 3.16 1.09 -0.39 -1.22 121.20 121.91 3dlu s ILE 73 Ca -0.02 -0.29 -0.09 0.00 -1.10 0.00 0.00 60.65 59.15 3dlu s ILE 73 Cb -0.01 -0.67 -0.05 0.00 -1.06 0.00 0.00 42.46 40.68 3dlu s ILE 73 CO -0.03 0.24 0.10 -0.69 -0.10 0.00 0.00 174.94 174.46 3dlu s VAL 74 N 0.44 5.11 0.16 2.92 1.01 0.34 0.44 120.40 130.82 3dlu s VAL 74 Ca -0.07 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3dlu s VAL 74 Cb -0.11 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3dlu s VAL 74 CO 0.01 0.44 0.14 -1.48 0.00 0.00 0.00 175.10 174.21 3dlu s LEU 75 N 0.46 1.39 -0.07 3.92 0.05 -0.52 -0.70 118.68 123.21 3dlu s LEU 75 Ca 0.06 -1.16 0.04 0.00 0.05 0.00 0.00 54.13 53.12 3dlu s LEU 75 Cb -0.12 0.58 -0.02 0.00 -2.05 0.00 0.00 46.19 44.58 3dlu s LEU 75 CO -0.00 -0.81 -0.20 -1.61 -0.55 0.00 0.00 176.35 173.18 3dlu s GLU 76 N -4.05 2.71 -0.00 1.48 2.02 0.33 -1.32 118.70 119.86 3dlu s GLU 76 Ca 0.26 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.38 3dlu s GLU 76 Cb 0.06 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3dlu s GLU 76 CO 0.04 0.41 0.12 0.45 0.02 0.00 0.00 175.26 176.30 3dlu s SER 77 N -0.21 0.02 0.32 -0.19 0.15 -0.58 -1.32 113.70 111.89 3dlu s SER 77 Ca -0.01 -0.16 0.25 0.00 0.70 0.00 0.00 55.95 56.73 3dlu s SER 77 Cb -0.13 0.21 1.12 0.00 -1.71 0.00 0.00 66.02 65.51 3dlu s SER 77 CO 0.03 -0.31 1.76 1.55 1.20 0.00 0.00 173.24 177.47 3dlu h PRO 78 N 4.58 0.00 -6.21 5.44 0.14 -1.93 -0.15 132.00 133.88 3dlu h PRO 78 Ca -0.30 0.00 -0.49 0.00 0.14 0.00 0.00 66.00 65.35 3dlu h PRO 78 Cb 1.20 0.00 -0.04 0.00 0.14 0.00 0.00 31.00 32.30 3dlu h PRO 78 CO 0.41 0.00 -0.48 0.71 0.14 0.00 0.00 178.00 178.78 3dlu s TYR 79 N -3.44 3.10 0.90 1.56 2.02 -1.26 -4.80 117.35 115.44 3dlu s TYR 79 Ca 0.02 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.45 3dlu s TYR 79 Cb 0.09 -1.58 0.13 0.00 -0.40 0.00 0.00 41.96 40.20 3dlu s TYR 79 CO 0.38 0.37 1.09 0.20 -1.57 0.00 0.00 175.55 176.03 3dlu s GLY 80 N -3.93 1.63 0.19 0.71 0.00 -1.26 -4.65 107.32 100.00 3dlu s GLY 80 Ca 0.36 0.10 -0.12 0.00 0.00 0.00 0.00 44.72 45.05 3dlu s GLY 80 CO 0.26 0.57 1.83 1.70 0.00 0.00 0.00 173.10 177.46 3dlu h LYS 81 N -1.61 0.68 -0.29 2.90 3.64 -1.97 -1.33 116.57 118.59 3dlu h LYS 81 Ca -0.48 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3dlu h LYS 81 Cb 1.27 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3dlu h LYS 81 CO 0.52 0.45 0.14 1.03 -2.27 0.00 0.00 179.45 179.32 3dlu h SER 82 N 0.70 0.21 -0.39 4.20 0.87 -1.99 0.63 113.55 117.77 3dlu h SER 82 Ca 0.23 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 3dlu h SER 82 Cb 0.01 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3dlu h SER 82 CO -0.10 0.16 -0.14 0.50 -0.53 0.00 0.00 176.83 176.72 3dlu h LYS 83 N 0.30 0.86 -0.74 2.24 1.63 -1.89 -2.66 116.57 116.30 3dlu h LYS 83 Ca 0.12 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 3dlu h LYS 83 Cb 0.04 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3dlu h LYS 83 CO -0.08 0.95 0.37 0.77 -3.45 0.00 0.00 179.45 178.00 3dlu h SER 84 N 0.77 0.95 -0.70 4.20 0.02 -0.61 -1.00 113.55 117.18 3dlu h SER 84 Ca 0.12 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dlu h SER 84 Cb 0.66 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 3dlu h SER 84 CO 0.05 0.81 0.45 -0.07 -1.14 0.00 0.00 176.83 176.92 3dlu h LEU 85 N 1.03 0.81 -0.42 5.07 3.38 -0.76 -0.22 115.31 124.20 3dlu h LEU 85 Ca 0.25 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3dlu h LEU 85 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3dlu h LEU 85 CO -0.03 0.60 0.16 0.11 0.09 0.00 0.00 178.44 179.37 3dlu h LYS 86 N 0.94 0.63 -0.73 1.13 1.57 -1.18 -0.46 116.57 118.47 3dlu h LYS 86 Ca 0.25 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3dlu h LYS 86 Cb -0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3dlu h LYS 86 CO -0.05 0.59 0.45 -0.07 -0.57 0.00 0.00 179.45 179.80 3dlu h LEU 87 N 0.54 0.88 -0.21 2.94 3.38 -0.95 -1.12 115.31 120.77 3dlu h LEU 87 Ca 0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dlu h LEU 87 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dlu h LEU 87 CO -0.01 0.68 0.06 0.40 0.09 0.00 0.00 178.44 179.65 3dlu h ILE 88 N 1.00 1.20 -0.32 1.22 2.04 -0.85 -1.20 117.51 120.60 3dlu h ILE 88 Ca 0.26 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.51 3dlu h ILE 88 Cb -0.05 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3dlu h ILE 88 CO -0.05 0.20 0.13 0.00 0.00 0.00 0.00 178.15 178.43 3dlu h ALA 89 N 0.87 0.38 -0.13 1.87 0.00 -0.83 -0.64 119.26 120.78 3dlu h ALA 89 Ca 0.07 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3dlu h ALA 89 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dlu h ALA 89 CO -0.00 -0.26 -0.34 0.37 0.00 0.00 0.00 179.25 179.02 3dlu h GLN 90 N 0.28 0.27 -0.54 0.00 5.75 -1.13 -1.11 115.11 118.63 3dlu h GLN 90 Ca 0.14 -0.11 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 3dlu h GLN 90 Cb 0.09 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 3dlu h GLN 90 CO -0.12 0.58 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.30 3dlu h LYS 91 N 0.23 1.03 -0.70 1.69 1.63 -0.79 -1.88 116.57 117.78 3dlu h LYS 91 Ca 0.03 -0.38 -0.06 0.00 -0.85 0.00 0.00 60.65 59.39 3dlu h LYS 91 Cb 0.71 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 3dlu h LYS 91 CO 0.05 1.07 0.19 0.82 -3.45 0.00 0.00 179.45 178.13 3dlu h ILE 92 N 0.91 1.26 -0.66 2.00 2.04 -0.59 -0.49 117.51 121.98 3dlu h ILE 92 Ca 0.14 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3dlu h ILE 92 Cb 0.68 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 3dlu h ILE 92 CO 0.05 0.36 0.38 -0.09 0.00 0.00 0.00 178.15 178.85 3dlu h ARG 93 N 1.04 0.70 -0.20 2.37 2.43 -1.04 -0.53 114.38 119.16 3dlu h ARG 93 Ca 0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3dlu h ARG 93 Cb 0.34 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3dlu h ARG 93 CO -0.00 0.46 0.07 1.49 -1.51 0.00 0.00 179.97 180.48 3dlu h GLU 94 N 0.72 0.30 -0.65 0.20 4.81 -0.85 -1.19 114.58 117.91 3dlu h GLU 94 Ca 0.29 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.55 3dlu h GLU 94 Cb 0.13 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 3dlu h GLU 94 CO -0.16 0.38 0.28 0.74 -0.73 0.00 0.00 179.01 179.52 3dlu h PHE 95 N 0.16 0.48 -0.59 0.92 0.04 -0.79 -1.37 116.94 115.80 3dlu h PHE 95 Ca 0.06 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 3dlu h PHE 95 Cb 0.19 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3dlu h PHE 95 CO -0.01 0.14 0.03 0.00 -0.60 0.00 0.00 178.31 177.87 3dlu h ARG 96 N 0.48 1.00 -0.73 1.51 3.08 -0.82 -0.59 114.38 118.30 3dlu h ARG 96 Ca 0.33 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3dlu h ARG 96 Cb 0.38 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3dlu h ARG 96 CO -0.30 0.97 0.28 0.00 -1.07 0.00 0.00 179.97 179.85 3dlu h ARG 97 N 0.92 1.09 -0.47 0.04 3.08 -0.75 -0.91 114.38 117.39 3dlu h ARG 97 Ca 0.17 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3dlu h ARG 97 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3dlu h ARG 97 CO 0.02 0.89 0.23 0.00 -1.07 0.00 0.00 179.97 180.04 3dlu h ARG 98 N 1.07 0.68 0.00 0.04 3.08 -0.77 -0.28 114.38 118.20 3dlu h ARG 98 Ca 0.25 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3dlu h ARG 98 Cb 0.21 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dlu h ARG 98 CO -0.02 0.58 -0.15 0.77 -1.07 0.00 0.00 179.97 180.08 3dlu h SER 99 N 0.62 0.00 0.82 7.04 0.02 -0.79 -1.92 113.55 119.34 3dlu h SER 99 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3dlu h SER 99 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3dlu h SER 99 CO -0.02 0.15 -0.57 0.00 -1.14 0.00 0.00 176.83 175.25 3dlu n ALA 100 N -2.24 3.00 -1.84 3.77 0.00 -0.37 -4.94 120.51 117.88 3dlu n ALA 100 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 3dlu n ALA 100 Cb 0.31 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 3dlu n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlu n GLY 101 N 1.37 0.37 2.15 0.00 0.00 -0.56 -4.94 105.19 103.58 3dlu n GLY 101 Ca 0.04 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 3dlu n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dlu n THR 102 N -3.58 2.78 -0.93 2.61 -2.24 -0.23 -5.03 114.28 107.67 3dlu n THR 102 Ca -0.09 -4.01 0.00 0.00 -2.27 0.00 0.00 64.05 57.68 3dlu n THR 102 Cb 0.47 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 3dlu n THR 102 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68