#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 3.66 0.20 1.61 3.52 -1.26 -0.50 118.95 126.17 3dlu s ARG 3 Ca 0.00 -0.28 -0.23 0.00 -0.13 0.00 0.00 55.73 55.09 3dlu s ARG 3 Cb 0.00 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.29 3dlu s ARG 3 CO 0.00 0.50 0.71 -0.59 -0.81 0.00 0.00 175.30 175.11 3dlu s PHE 4 N -0.27 -0.33 0.22 5.12 -0.71 -0.63 -5.00 117.98 116.38 3dlu s PHE 4 Ca 0.09 0.01 -0.10 0.00 -1.04 0.00 0.00 56.93 55.89 3dlu s PHE 4 Cb -0.12 0.63 -0.07 0.00 -1.21 0.00 0.00 43.02 42.25 3dlu s PHE 4 CO 0.01 -0.99 0.55 0.54 -1.34 0.00 0.00 175.22 173.99 3dlu s VAL 5 N -3.73 4.92 -0.14 -2.49 0.11 -1.26 -0.92 120.40 116.89 3dlu s VAL 5 Ca 0.07 0.51 0.01 0.00 -2.93 0.00 0.00 61.98 59.64 3dlu s VAL 5 Cb -0.03 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.21 3dlu s VAL 5 CO -0.03 -0.05 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.84 3dlu s VAL 6 N -1.79 1.72 -0.22 2.04 1.01 0.22 -4.94 120.40 118.44 3dlu s VAL 6 Ca 0.47 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3dlu s VAL 6 Cb -0.11 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3dlu s VAL 6 CO 0.21 0.48 0.04 0.86 0.00 0.00 0.00 175.10 176.69 3dlu s TRP 7 N 1.18 3.09 0.38 5.22 -0.00 -1.26 -1.28 118.94 126.27 3dlu s TRP 7 Ca -0.01 -0.35 0.16 0.00 -0.00 0.00 0.00 56.10 55.90 3dlu s TRP 7 Cb -0.14 -2.14 1.04 0.00 -0.00 0.00 0.00 33.47 32.22 3dlu s TRP 7 CO -0.07 -0.22 1.78 -1.35 -0.00 0.00 0.00 176.95 177.09 3dlu h PRO 8 N 7.64 0.45 0.00 5.86 0.11 -1.90 0.16 132.00 144.31 3dlu h PRO 8 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dlu h PRO 8 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dlu h PRO 8 CO 0.61 0.30 0.02 0.77 -0.21 0.00 0.00 178.00 179.48 3dlu h SER 9 N 0.46 0.00 0.44 -2.05 0.02 -1.90 -1.56 113.55 108.96 3dlu h SER 9 Ca 0.58 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.50 3dlu h SER 9 Cb 1.36 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 3dlu h SER 9 CO -0.30 0.00 -0.12 -0.33 -1.14 0.00 0.00 176.83 174.94 3dlu h GLU 10 N 0.00 0.00 -0.01 3.45 5.08 -0.77 -2.95 114.58 119.38 3dlu h GLU 10 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dlu h GLU 10 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3dlu h GLU 10 CO 0.00 0.12 -0.58 1.28 -1.00 0.00 0.00 179.01 178.82 3dlu n LEU 11 N -3.55 1.26 -4.59 1.33 7.99 -0.59 -0.02 117.00 118.82 3dlu n LEU 11 Ca -0.02 -0.63 -0.43 0.00 -0.01 0.00 0.00 56.01 54.93 3dlu n LEU 11 Cb 0.25 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.53 3dlu n LEU 11 CO 0.30 0.26 0.81 -0.62 -1.51 0.00 0.00 177.39 176.63 3dlu s ASP 12 N -2.32 6.63 0.25 -1.43 -1.08 -1.12 -0.88 116.67 116.72 3dlu s ASP 12 Ca 0.10 0.45 0.23 0.00 -0.52 0.00 0.00 52.55 52.81 3dlu s ASP 12 Cb 0.13 -2.48 0.98 0.00 -1.46 0.00 0.00 42.92 40.10 3dlu s ASP 12 CO 0.57 -0.98 1.70 -1.54 0.52 0.00 0.00 175.17 175.44 3dlu n SER 13 N 7.06 0.64 0.10 -0.34 3.41 0.04 -1.75 113.62 122.79 3dlu n SER 13 Ca 0.08 0.67 -0.00 0.00 -0.26 0.00 0.00 58.87 59.35 3dlu n SER 13 Cb 0.48 -0.80 0.28 0.00 -0.26 0.00 0.00 64.21 63.91 3dlu n SER 13 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3dlu h ARG 14 N 0.00 0.24 -6.27 4.33 3.08 -1.91 -3.45 114.38 110.40 3dlu h ARG 14 Ca 0.00 -0.09 -0.57 0.00 0.07 0.00 0.00 59.98 59.39 3dlu h ARG 14 Cb 0.34 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 3dlu h ARG 14 CO 0.00 0.53 -0.12 -0.51 -1.07 0.00 0.00 179.97 178.81 3dlu s LEU 15 N -8.44 4.35 0.88 3.04 1.43 -0.72 -5.08 118.68 114.14 3dlu s LEU 15 Ca -0.05 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 3dlu s LEU 15 Cb 0.14 -3.17 0.12 0.00 0.03 0.00 0.00 46.19 43.31 3dlu s LEU 15 CO 0.76 0.13 1.10 -0.94 0.23 0.00 0.00 176.35 177.63 3dlu s SER 16 N -1.68 3.70 0.36 2.29 1.04 -1.26 -4.64 113.70 113.51 3dlu s SER 16 Ca 0.36 1.35 0.04 0.00 0.48 0.00 0.00 55.95 58.18 3dlu s SER 16 Cb -0.15 -2.04 0.67 0.00 0.10 0.00 0.00 66.02 64.60 3dlu s SER 16 CO 0.19 -2.48 1.97 0.03 0.98 0.00 0.00 173.24 173.94 3dlu h ARG 17 N -1.44 0.68 -0.78 4.02 3.08 -1.94 -2.01 114.38 115.99 3dlu h ARG 17 Ca -0.49 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.51 3dlu h ARG 17 Cb 1.29 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 3dlu h ARG 17 CO 0.57 0.52 0.51 -0.22 -1.07 0.00 0.00 179.97 180.28 3dlu h LYS 18 N 0.68 0.95 -0.43 0.04 3.64 -1.93 -2.46 116.57 117.07 3dlu h LYS 18 Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3dlu h LYS 18 Cb 0.05 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3dlu h LYS 18 CO -0.03 0.63 0.00 0.66 -2.27 0.00 0.00 179.45 178.44 3dlu n TYR 19 N -4.44 0.57 0.00 1.91 4.02 -0.78 -4.89 117.16 113.55 3dlu n TYR 19 Ca 0.10 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3dlu n TYR 19 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.23 1.41 3.77 2.72 0.00 -0.93 -4.89 105.19 108.51 3dlu n GLY 20 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.27 -0.06 1.61 3.52 -1.05 -3.78 118.95 123.46 3dlu s ARG 21 Ca 0.00 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 57.94 3dlu s ARG 21 Cb 0.00 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 3dlu s ARG 21 CO 0.00 -0.33 -0.06 -0.89 -0.81 0.00 0.00 175.30 173.22 3dlu n ILE 22 N 0.96 0.36 -2.70 4.11 2.08 0.97 -4.40 119.36 120.72 3dlu n ILE 22 Ca 0.01 -0.14 -0.34 0.00 0.56 0.00 0.00 62.75 62.85 3dlu n ILE 22 Cb 0.41 -0.74 -0.06 0.00 -0.75 0.00 0.00 39.64 38.50 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 -2.12 4.12 0.20 1.39 -7.23 -1.08 -4.99 120.40 110.69 3dlu s VAL 23 Ca -0.08 1.36 -0.32 0.00 -1.81 0.00 0.00 61.98 61.13 3dlu s VAL 23 Cb 0.02 -3.57 -0.15 0.00 0.56 0.00 0.00 36.38 33.24 3dlu s VAL 23 CO 0.14 -0.25 1.23 -2.65 -0.31 0.00 0.00 175.10 173.26 3dlu n PRO 24 N -0.66 1.44 0.22 4.82 -0.02 -1.26 -4.62 135.00 134.92 3dlu n PRO 24 Ca 0.07 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3dlu n PRO 24 Cb 0.53 -2.05 0.84 0.00 -0.02 0.00 0.00 33.50 32.79 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 3.55 0.00 0.02 -0.52 2.43 -1.94 0.16 114.38 118.08 3dlu h ARG 25 Ca -0.44 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.52 3dlu h ARG 25 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3dlu h ARG 25 CO 0.71 0.00 -1.00 0.66 -1.51 0.00 0.00 179.97 178.84 3dlu h SER 26 N 0.00 0.08 0.61 -3.80 4.64 -1.99 -3.24 113.55 109.86 3dlu h SER 26 Ca 0.09 -0.08 -0.28 0.00 -0.47 0.00 0.00 61.79 61.05 3dlu h SER 26 Cb 0.65 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3dlu h SER 26 CO -0.00 1.02 -1.32 0.40 -0.87 0.00 0.00 176.83 176.06 3dlu h ILE 27 N 0.02 1.39 -3.23 0.95 2.04 -1.11 -3.47 117.51 114.10 3dlu h ILE 27 Ca -0.03 -3.01 -0.56 0.00 1.00 0.00 0.00 64.86 62.26 3dlu h ILE 27 Cb 1.73 2.86 0.19 0.00 -0.74 0.00 0.00 36.82 40.85 3dlu h ILE 27 CO 0.14 0.87 -0.36 0.00 0.00 0.00 0.00 178.15 178.79 3dlu n ALA 28 N -2.55 -1.41 -2.45 1.87 0.00 -0.19 -4.62 120.51 111.16 3dlu n ALA 28 Ca -0.10 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 3dlu n ALA 28 Cb 1.02 -1.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.89 2.35 -0.13 0.00 -7.23 -0.06 -4.64 120.40 108.80 3dlu s VAL 29 Ca 0.66 -2.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 3dlu s VAL 29 Cb -0.35 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 3dlu s VAL 29 CO 0.57 -0.35 1.06 -0.70 -0.31 0.00 0.00 175.10 175.37 3dlu s GLU 30 N -3.30 4.36 -1.14 4.82 2.12 -1.26 -0.78 118.70 123.53 3dlu s GLU 30 Ca 0.26 1.44 -0.24 0.00 0.36 0.00 0.00 54.97 56.80 3dlu s GLU 30 Cb -0.05 -3.58 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3dlu s GLU 30 CO 0.13 -0.43 0.76 0.43 -0.54 0.00 0.00 175.26 175.61 3dlu n SER 31 N 5.42 -5.07 -4.72 -1.70 7.64 -1.26 -4.86 113.62 109.07 3dlu n SER 31 Ca 0.10 -1.07 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 3dlu n SER 31 Cb 0.48 -2.90 -0.03 0.00 -1.01 0.00 0.00 64.21 60.75 3dlu n SER 31 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3dlu s PRO 32 N -6.27 4.15 0.22 1.43 0.02 -1.26 -4.99 135.00 128.30 3dlu s PRO 32 Ca 0.46 2.55 -0.09 0.00 0.02 0.00 0.00 61.00 63.93 3dlu s PRO 32 Cb -0.19 -3.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 3dlu s PRO 32 CO 0.89 -0.71 0.53 1.03 -0.33 0.00 0.00 177.00 178.42 3dlu s ARG 33 N 1.04 3.78 0.23 5.54 0.52 -1.26 -4.89 118.95 123.91 3dlu s ARG 33 Ca 0.73 0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 56.10 3dlu s ARG 33 Cb -0.48 -2.67 0.39 0.00 0.52 0.00 0.00 34.95 32.71 3dlu s ARG 33 CO 0.33 0.33 1.68 0.28 0.02 0.00 0.00 175.30 177.94 3dlu h VAL 34 N 1.99 0.54 -0.15 3.52 2.07 -1.98 -0.78 116.25 121.46 3dlu h VAL 34 Ca -0.47 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 3dlu h VAL 34 Cb 1.17 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3dlu h VAL 34 CO 0.69 0.04 -0.13 -0.33 0.02 0.00 0.00 177.57 177.86 3dlu h GLU 35 N 0.24 0.23 -0.43 1.57 3.07 -1.99 -0.83 114.58 116.44 3dlu h GLU 35 Ca 0.37 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.10 3dlu h GLU 35 Cb 0.61 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3dlu h GLU 35 CO -0.49 0.37 -0.04 0.93 -1.40 0.00 0.00 179.01 178.38 3dlu h GLU 36 N 0.22 0.79 -0.38 2.33 5.08 -1.58 -1.77 114.58 119.27 3dlu h GLU 36 Ca 0.04 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 3dlu h GLU 36 Cb 0.38 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3dlu h GLU 36 CO 0.02 0.88 0.04 0.82 -1.00 0.00 0.00 179.01 179.77 3dlu h ILE 37 N 0.62 1.25 -0.51 3.13 2.04 -0.48 -0.85 117.51 122.71 3dlu h ILE 37 Ca 0.12 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3dlu h ILE 37 Cb 0.55 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3dlu h ILE 37 CO 0.03 0.30 0.32 0.58 0.00 0.00 0.00 178.15 179.38 3dlu h VAL 38 N 0.47 1.15 -0.62 1.67 2.07 -1.18 0.11 116.25 119.91 3dlu h VAL 38 Ca 0.11 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3dlu h VAL 38 Cb 0.40 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3dlu h VAL 38 CO 0.01 0.15 0.41 -0.09 0.02 0.00 0.00 177.57 178.07 3dlu h ARG 39 N 0.68 0.83 -0.40 1.57 2.43 -1.12 -1.05 114.38 117.32 3dlu h ARG 39 Ca 0.18 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3dlu h ARG 39 Cb -0.03 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3dlu h ARG 39 CO -0.04 0.56 0.13 0.00 -1.51 0.00 0.00 179.97 179.11 3dlu h ALA 40 N 1.22 0.52 -0.76 2.80 0.00 -0.81 -0.94 119.26 121.30 3dlu h ALA 40 Ca 0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dlu h ALA 40 Cb -0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3dlu h ALA 40 CO -0.05 0.17 0.49 0.00 0.00 0.00 0.00 179.25 179.86 3dlu h ALA 41 N 0.97 0.97 -0.57 0.00 0.00 -0.68 0.35 119.26 120.31 3dlu h ALA 41 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3dlu h ALA 41 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dlu h ALA 41 CO -0.00 0.33 0.04 0.93 0.00 0.00 0.00 179.25 180.55 3dlu h GLU 42 N 0.99 0.98 -0.23 0.00 5.08 -0.91 0.13 114.58 120.62 3dlu h GLU 42 Ca 0.29 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3dlu h GLU 42 Cb -0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3dlu h GLU 42 CO -0.08 0.96 -0.03 0.93 -1.00 0.00 0.00 179.01 179.79 3dlu h GLU 43 N 0.87 0.34 -0.01 2.33 5.08 -0.51 -1.66 114.58 121.01 3dlu h GLU 43 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3dlu h GLU 43 Cb 0.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3dlu h GLU 43 CO 0.02 0.39 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 3dlu n LEU 44 N -4.32 0.68 -1.89 1.33 4.77 0.05 -4.90 117.00 112.72 3dlu n LEU 44 Ca 0.00 -0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 3dlu n LEU 44 Cb 0.22 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3dlu n LEU 44 CO 0.37 0.11 -0.21 0.29 -1.33 0.00 0.00 177.39 176.63 3dlu n LYS 45 N -0.46 -1.33 -2.76 3.23 5.02 -0.63 -5.01 118.16 116.22 3dlu n LYS 45 Ca 0.21 0.82 -0.33 0.00 -2.02 0.00 0.00 58.31 57.00 3dlu n LYS 45 Cb 0.22 -5.25 -0.06 0.00 -0.02 0.00 0.00 35.03 29.92 3dlu n LYS 45 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3dlu s PHE 46 N -2.83 3.33 -0.21 2.13 0.08 0.39 -4.95 117.98 115.91 3dlu s PHE 46 Ca 0.00 1.58 -0.20 0.00 0.12 0.00 0.00 56.93 58.43 3dlu s PHE 46 Cb 0.00 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 3dlu s PHE 46 CO 0.00 -0.15 0.59 0.21 -0.10 0.00 0.00 175.22 175.78 3dlu s LYS 47 N -3.32 4.18 -0.33 0.44 2.20 -0.02 -4.39 119.74 118.50 3dlu s LYS 47 Ca 0.61 0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 56.52 3dlu s LYS 47 Cb -0.09 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 3dlu s LYS 47 CO 0.16 -0.26 0.82 0.08 -0.36 0.00 0.00 175.35 175.79 3dlu s VAL 48 N 1.99 4.74 -0.20 4.02 1.01 -1.26 -0.37 120.40 130.33 3dlu s VAL 48 Ca 0.27 1.16 -0.05 0.00 0.00 0.00 0.00 61.98 63.36 3dlu s VAL 48 Cb -0.16 -4.20 -0.20 0.00 0.00 0.00 0.00 36.38 31.82 3dlu s VAL 48 CO 0.10 -0.33 0.02 -0.38 0.00 0.00 0.00 175.10 174.50 3dlu n ILE 49 N 5.66 1.61 -3.75 2.22 2.08 -0.22 -4.99 119.36 121.98 3dlu n ILE 49 Ca 0.04 -0.55 -0.13 0.00 0.56 0.00 0.00 62.75 62.68 3dlu n ILE 49 Cb 0.48 -1.63 -0.10 0.00 -0.75 0.00 0.00 39.64 37.64 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 -2.52 0.44 -0.09 0.38 3.52 -1.06 -4.95 118.95 114.66 3dlu s ARG 50 Ca -0.30 0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 3dlu s ARG 50 Cb 0.08 0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 3dlu s ARG 50 CO 0.66 -0.06 -0.01 0.08 -0.81 0.00 0.00 175.30 175.16 3dlu s VAL 51 N 0.05 0.48 -0.01 7.11 1.01 -1.26 -0.67 120.40 127.10 3dlu s VAL 51 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3dlu s VAL 51 Cb -0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3dlu s VAL 51 CO 0.01 0.23 -0.25 -0.70 0.00 0.00 0.00 175.10 174.39 3dlu s GLU 52 N 1.93 1.97 -0.13 2.72 -6.30 -0.60 -5.01 118.70 113.27 3dlu s GLU 52 Ca 0.04 -0.92 -0.08 0.00 -2.50 0.00 0.00 54.97 51.51 3dlu s GLU 52 Cb -0.13 -1.93 0.04 0.00 0.00 0.00 0.00 34.13 32.11 3dlu s GLU 52 CO -0.06 0.53 0.31 -2.00 0.02 0.00 0.00 175.26 174.06 3dlu s GLU 53 N -0.68 0.32 -0.10 4.30 2.12 -1.26 -1.77 118.70 121.62 3dlu s GLU 53 Ca 0.10 0.55 0.02 0.00 0.36 0.00 0.00 54.97 56.00 3dlu s GLU 53 Cb -0.10 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.33 3dlu s GLU 53 CO -0.00 -0.11 -0.16 0.34 -0.54 0.00 0.00 175.26 174.78 3dlu s ASP 54 N 0.85 2.46 -0.09 -1.70 -1.08 0.10 -4.97 116.67 112.24 3dlu s ASP 54 Ca -0.06 -0.44 0.04 0.00 -0.52 0.00 0.00 52.55 51.58 3dlu s ASP 54 Cb -0.07 -1.11 -0.00 0.00 -1.46 0.00 0.00 42.92 40.28 3dlu s ASP 54 CO -0.06 0.04 -0.23 -0.54 0.52 0.00 0.00 175.17 174.90 3dlu s LYS 55 N 0.85 2.88 0.04 4.34 1.02 -1.26 -0.33 119.74 127.28 3dlu s LYS 55 Ca -0.09 -0.84 0.08 0.00 0.02 0.00 0.00 55.97 55.13 3dlu s LYS 55 Cb -0.15 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 3dlu s LYS 55 CO 0.00 0.19 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.90 3dlu s LEU 56 N 0.31 2.40 0.00 3.17 1.43 0.85 -4.91 118.68 121.93 3dlu s LEU 56 Ca -0.17 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 3dlu s LEU 56 Cb -0.17 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3dlu s LEU 56 CO 0.08 0.26 0.00 -0.46 0.23 0.00 0.00 176.35 176.46 3dlu n ASN 57 N 1.71 0.00 -3.77 2.29 0.23 -1.26 -0.79 115.26 113.66 3dlu n ASN 57 Ca -0.17 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.71 3dlu n ASN 57 Cb 0.52 -0.02 -0.17 0.00 -2.08 0.00 0.00 39.78 38.04 3dlu n ASN 57 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3dlu s LEU 67 N 0.00 0.89 0.05 -4.53 1.43 -1.26 -5.22 118.68 110.04 3dlu s LEU 67 Ca 0.00 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 3dlu s LEU 67 Cb 0.00 -0.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.98 3dlu s LEU 67 CO 0.00 -0.14 1.14 -0.13 0.23 0.00 0.00 176.35 177.45 3dlu s ARG 68 N 1.35 4.47 -0.02 1.70 0.52 0.03 -5.04 118.95 121.96 3dlu s ARG 68 Ca -0.05 1.68 0.02 0.00 -0.52 0.00 0.00 55.73 56.86 3dlu s ARG 68 Cb -0.13 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 3dlu s ARG 68 CO -0.03 -0.19 -0.03 0.99 0.02 0.00 0.00 175.30 176.06 3dlu s THR 69 N 0.98 3.92 -0.02 0.02 2.01 -1.26 -0.11 115.64 121.18 3dlu s THR 69 Ca 0.57 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3dlu s THR 69 Cb -0.27 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.54 3dlu s THR 69 CO 0.29 0.43 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.25 3dlu s PHE 70 N -1.00 0.51 0.13 4.92 0.40 0.55 -4.98 117.98 118.51 3dlu s PHE 70 Ca 0.17 -0.10 -0.24 0.00 -0.60 0.00 0.00 56.93 56.16 3dlu s PHE 70 Cb -0.11 -0.40 0.08 0.00 0.51 0.00 0.00 43.02 43.10 3dlu s PHE 70 CO 0.07 -0.07 1.09 0.20 0.70 0.00 0.00 175.22 177.22 3dlu s GLY 71 N 0.28 -0.03 0.01 4.36 0.00 -1.26 0.03 107.32 110.72 3dlu s GLY 71 Ca -0.03 -0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.31 3dlu s GLY 71 CO -0.00 2.38 0.62 -3.16 0.00 0.00 0.00 173.10 172.93 3dlu s MET 72 N -2.33 1.07 -0.03 2.90 0.23 -0.73 -4.50 119.30 115.92 3dlu s MET 72 Ca 0.21 0.02 0.04 0.00 -1.03 0.00 0.00 55.69 54.92 3dlu s MET 72 Cb -0.01 0.50 -0.00 0.00 -1.53 0.00 0.00 34.83 33.78 3dlu s MET 72 CO 0.03 -0.37 -0.15 0.42 -2.03 0.00 0.00 175.02 172.92 3dlu s ILE 73 N -1.88 1.22 -0.19 3.16 1.09 -0.40 -1.56 121.20 122.64 3dlu s ILE 73 Ca -0.08 -0.61 -0.06 0.00 -1.10 0.00 0.00 60.65 58.80 3dlu s ILE 73 Cb -0.01 -1.05 -0.03 0.00 -1.06 0.00 0.00 42.46 40.31 3dlu s ILE 73 CO 0.04 0.36 0.04 -0.69 -0.10 0.00 0.00 174.94 174.58 3dlu s VAL 74 N 0.04 4.43 0.15 2.92 1.01 0.16 0.69 120.40 129.79 3dlu s VAL 74 Ca -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3dlu s VAL 74 Cb -0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3dlu s VAL 74 CO 0.01 0.44 -0.19 -0.76 0.00 0.00 0.00 175.10 174.61 3dlu s LEU 75 N 0.64 2.41 -0.17 3.92 1.43 -0.10 -1.05 118.68 125.76 3dlu s LEU 75 Ca 0.02 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3dlu s LEU 75 Cb -0.14 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.25 3dlu s LEU 75 CO 0.02 -0.02 -0.16 -1.61 0.23 0.00 0.00 176.35 174.81 3dlu s GLU 76 N -2.62 3.14 0.10 1.70 2.02 0.50 -1.61 118.70 121.93 3dlu s GLU 76 Ca 0.14 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.42 3dlu s GLU 76 Cb -0.07 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 3dlu s GLU 76 CO 0.06 -0.10 -0.16 0.45 0.02 0.00 0.00 175.26 175.53 3dlu s SER 77 N 1.08 2.01 0.52 -0.19 0.15 0.34 -0.84 113.70 116.76 3dlu s SER 77 Ca -0.00 -0.70 0.33 0.00 0.70 0.00 0.00 55.95 56.27 3dlu s SER 77 Cb -0.14 -0.08 1.36 0.00 -1.71 0.00 0.00 66.02 65.45 3dlu s SER 77 CO -0.05 -0.07 1.96 -0.65 1.20 0.00 0.00 173.24 175.63 3dlu h PRO 78 N 3.95 0.00 -6.21 5.44 0.11 -1.93 -1.11 132.00 132.25 3dlu h PRO 78 Ca -0.42 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.21 3dlu h PRO 78 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3dlu h PRO 78 CO 0.44 0.00 -0.41 0.71 -0.21 0.00 0.00 178.00 178.53 3dlu s TYR 79 N -3.64 2.87 1.02 0.65 2.02 -1.26 -4.54 117.35 114.47 3dlu s TYR 79 Ca 0.01 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.24 3dlu s TYR 79 Cb 0.09 -1.93 0.20 0.00 -0.40 0.00 0.00 41.96 39.92 3dlu s TYR 79 CO 0.52 0.07 1.10 0.20 -1.57 0.00 0.00 175.55 175.86 3dlu s GLY 80 N -4.06 1.56 0.15 0.71 0.00 -1.26 -2.63 107.32 101.79 3dlu s GLY 80 Ca 0.44 -0.43 -0.16 0.00 0.00 0.00 0.00 44.72 44.56 3dlu s GLY 80 CO 0.28 0.21 1.76 1.70 0.00 0.00 0.00 173.10 177.05 3dlu h LYS 81 N -1.98 0.57 0.24 2.90 3.64 -1.97 -1.53 116.57 118.45 3dlu h LYS 81 Ca -0.54 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3dlu h LYS 81 Cb 1.33 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3dlu h LYS 81 CO 0.56 0.45 -0.23 0.77 -2.27 0.00 0.00 179.45 178.72 3dlu h SER 82 N 0.54 -0.63 -0.98 4.20 0.02 -2.00 0.17 113.55 114.88 3dlu h SER 82 Ca 0.15 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3dlu h SER 82 Cb 0.03 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3dlu h SER 82 CO -0.03 -0.35 0.62 0.50 -1.14 0.00 0.00 176.83 176.44 3dlu h LYS 83 N -0.51 1.30 -0.67 3.45 3.64 -1.94 -2.54 116.57 119.31 3dlu h LYS 83 Ca -0.01 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 3dlu h LYS 83 Cb 0.47 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3dlu h LYS 83 CO -0.05 0.88 0.18 0.77 -2.27 0.00 0.00 179.45 178.96 3dlu h SER 84 N 1.33 1.01 -0.68 4.20 0.02 -0.70 -1.69 113.55 117.04 3dlu h SER 84 Ca 0.35 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3dlu h SER 84 Cb -0.11 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.13 3dlu h SER 84 CO -0.07 0.97 0.35 -0.07 -1.14 0.00 0.00 176.83 176.87 3dlu h LEU 85 N 1.00 0.87 -0.44 5.07 3.38 -0.43 -0.62 115.31 124.14 3dlu h LEU 85 Ca 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dlu h LEU 85 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dlu h LEU 85 CO -0.00 0.74 0.24 0.11 0.09 0.00 0.00 178.44 179.62 3dlu h LYS 86 N 0.94 0.61 -0.64 1.13 1.57 -1.15 -0.21 116.57 118.82 3dlu h LYS 86 Ca 0.24 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3dlu h LYS 86 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3dlu h LYS 86 CO -0.03 0.49 0.22 -0.07 -0.57 0.00 0.00 179.45 179.49 3dlu h LEU 87 N 0.57 0.89 -0.29 2.94 3.38 -0.99 -2.10 115.31 119.70 3dlu h LEU 87 Ca 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3dlu h LEU 87 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3dlu h LEU 87 CO -0.02 0.82 -0.02 0.40 0.09 0.00 0.00 178.44 179.70 3dlu h ILE 88 N 0.93 1.26 -0.57 1.22 2.04 -0.79 -2.19 117.51 119.42 3dlu h ILE 88 Ca 0.21 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.13 3dlu h ILE 88 Cb 0.23 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 3dlu h ILE 88 CO -0.01 0.32 0.31 0.00 0.00 0.00 0.00 178.15 178.76 3dlu h ALA 89 N 0.82 0.74 -0.61 1.87 0.00 -0.73 -1.13 119.26 120.22 3dlu h ALA 89 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dlu h ALA 89 Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3dlu h ALA 89 CO 0.02 -0.02 0.32 0.37 0.00 0.00 0.00 179.25 179.94 3dlu h GLN 90 N 0.59 0.86 -0.55 0.00 4.15 -1.29 -1.21 115.11 117.66 3dlu h GLN 90 Ca 0.25 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3dlu h GLN 90 Cb 0.12 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3dlu h GLN 90 CO -0.15 0.67 0.18 -0.22 -1.93 0.00 0.00 178.83 177.38 3dlu h LYS 91 N 0.83 0.82 -0.34 1.69 1.63 -0.89 -1.07 116.57 119.23 3dlu h LYS 91 Ca 0.21 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 3dlu h LYS 91 Cb 0.07 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3dlu h LYS 91 CO -0.03 0.70 -0.02 0.82 -3.45 0.00 0.00 179.45 177.47 3dlu h ILE 92 N 0.80 1.26 -0.57 2.00 2.04 -0.66 -0.50 117.51 121.88 3dlu h ILE 92 Ca 0.19 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 65.10 3dlu h ILE 92 Cb 0.22 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3dlu h ILE 92 CO -0.01 0.33 0.25 -0.09 0.00 0.00 0.00 178.15 178.63 3dlu h ARG 93 N 0.42 0.44 -0.58 2.37 2.43 -0.97 -1.15 114.38 117.34 3dlu h ARG 93 Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3dlu h ARG 93 Cb 0.49 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3dlu h ARG 93 CO 0.02 0.29 0.36 0.93 -1.51 0.00 0.00 179.97 180.06 3dlu h GLU 94 N 0.46 0.79 -0.43 0.20 5.08 -0.83 -1.22 114.58 118.62 3dlu h GLU 94 Ca 0.28 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dlu h GLU 94 Cb 0.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3dlu h GLU 94 CO -0.25 0.56 0.28 0.74 -1.00 0.00 0.00 179.01 179.35 3dlu h PHE 95 N 0.79 0.55 -0.62 4.33 0.04 -0.63 -1.50 116.94 119.90 3dlu h PHE 95 Ca 0.21 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.92 3dlu h PHE 95 Cb -0.03 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3dlu h PHE 95 CO -0.02 0.36 0.13 0.00 -0.60 0.00 0.00 178.31 178.17 3dlu h ARG 96 N 0.58 1.01 -0.46 1.51 3.08 -0.91 -2.18 114.38 117.02 3dlu h ARG 96 Ca 0.16 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3dlu h ARG 96 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3dlu h ARG 96 CO -0.03 0.93 0.08 0.00 -1.07 0.00 0.00 179.97 179.88 3dlu h ARG 97 N 0.92 0.70 0.00 0.04 3.08 -1.09 -3.51 114.38 114.51 3dlu h ARG 97 Ca 0.19 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3dlu h ARG 97 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3dlu h ARG 97 CO 0.01 0.66 0.00 0.54 -1.07 0.00 0.00 179.97 180.10