#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll s LYS 2 N 0.00 1.60 0.04 0.03 2.47 -0.93 -0.30 119.74 122.66 3dll s LYS 2 Ca 0.00 -0.29 -0.00 0.00 -1.56 0.00 0.00 55.97 54.11 3dll s LYS 2 Cb 0.00 -1.66 0.01 0.00 -1.46 0.00 0.00 37.83 34.72 3dll s LYS 2 CO 0.00 -0.27 0.06 -0.89 0.16 0.00 0.00 175.35 174.41 3dll n ILE 3 N 4.92 0.00 0.00 5.43 2.08 -0.63 0.27 119.36 131.43 3dll n ILE 3 Ca -0.13 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.11 3dll n ILE 3 Cb 0.50 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.77 3dll n ILE 3 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 3dll n LYS 4 N -1.12 0.00 -1.44 0.38 2.85 -0.42 -4.04 118.16 114.36 3dll n LYS 4 Ca 0.01 0.00 -0.49 0.00 -1.05 0.00 0.00 58.31 56.78 3dll n LYS 4 Cb 0.03 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.33 3dll n LYS 4 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3dll n LEU 5 N 0.00 1.80 -2.59 -5.58 7.94 -1.10 -1.90 117.00 115.56 3dll n LEU 5 Ca 0.00 0.30 -0.23 0.00 -1.11 0.00 0.00 56.01 54.98 3dll n LEU 5 Cb 0.00 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 42.73 3dll n LEU 5 CO 0.00 -0.83 0.11 1.33 -1.11 0.00 0.00 177.39 176.89 3dll n VAL 6 N 7.26 2.07 -3.15 1.96 0.24 -1.15 -2.82 118.33 122.75 3dll n VAL 6 Ca 0.45 -4.60 0.06 0.00 -2.04 0.00 0.00 64.34 58.21 3dll n VAL 6 Cb 0.22 -0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 31.73 3dll n VAL 6 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dll s ARG 7 N -3.41 0.02 0.16 7.34 1.81 -1.26 -4.85 118.95 118.77 3dll s ARG 7 Ca 0.43 0.03 -0.17 0.00 -1.72 0.00 0.00 55.73 54.30 3dll s ARG 7 Cb 0.40 0.02 -0.11 0.00 -0.45 0.00 0.00 34.95 34.81 3dll s ARG 7 CO -0.13 -0.02 0.27 0.45 -0.68 0.00 0.00 175.30 175.19 3dll n SER 8 N 5.45 -1.09 0.19 0.23 2.88 -1.26 -4.77 113.62 115.25 3dll n SER 8 Ca -0.08 0.69 0.13 0.00 -1.33 0.00 0.00 58.87 58.28 3dll n SER 8 Cb 0.55 -0.61 0.34 0.00 -0.75 0.00 0.00 64.21 63.74 3dll n SER 8 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3dll h VAL 9 N 0.54 0.00 -2.24 2.46 2.07 -2.00 -3.47 116.25 113.62 3dll h VAL 9 Ca -0.20 -0.71 -0.59 0.00 0.82 0.00 0.00 66.70 66.02 3dll h VAL 9 Cb 0.95 1.69 0.18 0.00 -1.52 0.00 0.00 31.29 32.58 3dll h VAL 9 CO 0.36 0.00 -1.01 -0.38 0.02 0.00 0.00 177.57 176.56 3dll n ILE 10 N -2.77 0.52 -0.71 4.57 5.41 -1.26 -1.89 119.36 123.23 3dll n ILE 10 Ca 0.04 -0.50 -0.01 0.00 1.00 0.00 0.00 62.75 63.28 3dll n ILE 10 Cb 0.44 -0.16 -0.00 0.00 -0.71 0.00 0.00 39.64 39.20 3dll n ILE 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dll n GLY 11 N 2.38 0.11 3.95 7.39 0.00 -1.26 -4.93 105.19 112.82 3dll n GLY 11 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3dll n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dll s ARG 12 N -1.44 3.28 0.26 1.61 1.81 -0.79 -5.10 118.95 118.57 3dll s ARG 12 Ca 0.00 -0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 52.85 3dll s ARG 12 Cb 0.00 -2.81 -0.09 0.00 -0.45 0.00 0.00 34.95 31.60 3dll s ARG 12 CO 0.00 0.35 1.10 -2.14 -0.68 0.00 0.00 175.30 173.93 3dll s PRO 13 N -3.99 4.64 0.19 3.54 0.02 -1.26 -4.86 135.00 133.28 3dll s PRO 13 Ca 0.36 1.78 -0.22 0.00 0.02 0.00 0.00 61.00 62.94 3dll s PRO 13 Cb -0.09 -3.21 0.10 0.00 0.02 0.00 0.00 34.50 31.32 3dll s PRO 13 CO 0.29 0.19 1.44 0.41 -0.33 0.00 0.00 177.00 179.00 3dll n GLY 14 N 1.40 -2.13 0.02 0.52 0.00 -1.26 -0.02 105.19 103.72 3dll n GLY 14 Ca -0.00 1.07 -0.01 0.00 0.00 0.00 0.00 46.02 47.08 3dll n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dll n ASN 15 N -5.28 -0.05 -0.21 1.61 4.13 -1.26 0.90 115.26 115.10 3dll n ASN 15 Ca 0.06 0.59 -0.00 0.00 1.68 0.00 0.00 54.58 56.91 3dll n ASN 15 Cb 0.32 -0.27 0.10 0.00 -1.54 0.00 0.00 39.78 38.39 3dll n ASN 15 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3dll h GLN 16 N 0.00 0.45 0.00 3.52 4.20 -0.72 -3.23 115.11 119.33 3dll h GLN 16 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3dll h GLN 16 Cb 0.02 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3dll h GLN 16 CO -0.04 0.30 0.00 0.28 -0.67 0.00 0.00 178.83 178.69 3dll n VAL 17 N -4.95 0.00 -0.30 -0.54 0.31 0.26 -1.13 118.33 111.97 3dll n VAL 17 Ca 0.08 0.73 0.23 0.00 -0.01 0.00 0.00 64.34 65.37 3dll n VAL 17 Cb 0.25 -1.56 0.35 0.00 -0.91 0.00 0.00 33.84 31.98 3dll n VAL 17 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3dll n LYS 18 N -0.30 -0.00 0.00 5.55 4.76 -0.80 0.85 118.16 128.22 3dll n LYS 18 Ca 0.00 0.48 -0.01 0.00 -2.87 0.00 0.00 58.31 55.91 3dll n LYS 18 Cb 0.00 -1.08 -0.00 0.00 -1.84 0.00 0.00 35.03 32.10 3dll n LYS 18 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3dll h THR 19 N 0.00 0.00 -1.47 -0.18 2.02 -1.52 -2.22 112.91 109.55 3dll h THR 19 Ca 0.41 -0.37 0.45 0.00 0.77 0.00 0.00 66.41 67.66 3dll h THR 19 Cb 1.61 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 3dll h THR 19 CO -0.02 0.00 1.00 0.58 0.37 0.00 0.00 175.52 177.45 3dll h VAL 20 N -0.42 0.17 0.35 3.16 2.07 0.20 0.84 116.25 122.63 3dll h VAL 20 Ca -0.01 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3dll h VAL 20 Cb 0.04 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3dll h VAL 20 CO 0.01 0.01 -0.17 -0.61 0.02 0.00 0.00 177.57 176.83 3dll h GLN 21 N 0.07 -0.46 -0.22 1.57 4.15 -1.17 -3.00 115.11 116.05 3dll h GLN 21 Ca 0.79 0.03 0.02 0.00 0.77 0.00 0.00 58.65 60.26 3dll h GLN 21 Cb 2.79 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 30.55 3dll h GLN 21 CO -0.22 -0.31 -0.14 0.00 -1.93 0.00 0.00 178.83 176.24 3dll h ALA 22 N -1.74 -0.14 -0.25 3.38 0.00 0.12 -1.28 119.26 119.34 3dll h ALA 22 Ca -0.05 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dll h ALA 22 Cb 0.36 1.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 3dll h ALA 22 CO 0.08 -0.24 -0.11 1.28 0.00 0.00 0.00 179.25 180.26 3dll n LEU 23 N -3.51 -0.19 0.00 0.00 4.77 0.42 -4.72 117.00 113.77 3dll n LEU 23 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3dll n LEU 23 Cb 0.06 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3dll n LEU 23 CO -0.03 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 3dll n GLY 24 N -1.10 -0.87 3.64 -0.72 0.00 -0.48 -5.11 105.19 100.54 3dll n GLY 24 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3dll n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dll s LEU 25 N 0.00 4.09 -0.02 0.99 1.43 -1.14 -4.94 118.68 119.08 3dll s LEU 25 Ca 0.00 0.22 0.12 0.00 -1.03 0.00 0.00 54.13 53.43 3dll s LEU 25 Cb 0.00 -2.26 -0.18 0.00 0.03 0.00 0.00 46.19 43.78 3dll s LEU 25 CO 0.00 -0.03 0.24 0.54 0.23 0.00 0.00 176.35 177.33 3dll n ARG 26 N 4.66 0.52 -3.68 1.70 1.74 -1.26 -4.41 116.66 115.92 3dll n ARG 26 Ca -0.12 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 56.73 3dll n ARG 26 Cb 0.52 -1.28 -0.07 0.00 -1.02 0.00 0.00 32.46 30.60 3dll n ARG 26 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3dll s LYS 27 N -2.78 0.86 0.59 5.56 1.02 -1.26 -5.13 119.74 118.60 3dll s LYS 27 Ca -0.04 -0.27 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 3dll s LYS 27 Cb 0.07 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.73 3dll s LYS 27 CO 0.49 -0.28 1.09 0.96 -0.92 0.00 0.00 175.35 176.69 3dll s ILE 28 N -2.06 3.44 0.00 2.17 -0.00 -1.26 -2.73 121.20 120.76 3dll s ILE 28 Ca -0.08 0.76 0.00 0.00 -0.00 0.00 0.00 60.65 61.34 3dll s ILE 28 Cb -0.02 -3.27 0.00 0.00 -0.00 0.00 0.00 42.46 39.17 3dll s ILE 28 CO 0.01 -0.32 0.00 0.61 -0.00 0.00 0.00 174.94 175.23 3dll n GLY 29 N -0.42 2.08 3.68 6.27 0.00 -1.13 -5.03 105.19 110.64 3dll n GLY 29 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3dll n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dll s ASP 30 N -1.55 2.98 0.00 1.61 1.11 -1.11 -4.91 116.67 114.81 3dll s ASP 30 Ca 0.00 1.54 0.00 0.00 0.18 0.00 0.00 52.55 54.27 3dll s ASP 30 Cb 0.00 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.79 3dll s ASP 30 CO 0.00 -2.95 0.00 -1.54 1.18 0.00 0.00 175.17 171.86 3dll n SER 31 N -4.09 0.00 -3.67 0.27 3.41 -1.26 -2.73 113.62 105.54 3dll n SER 31 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 3dll n SER 31 Cb 0.55 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 3dll n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dll s ARG 32 N -2.00 1.54 -0.36 4.33 1.70 -1.26 -4.92 118.95 117.98 3dll s ARG 32 Ca 0.00 -0.77 -0.20 0.00 -0.47 0.00 0.00 55.73 54.29 3dll s ARG 32 Cb 0.00 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 3dll s ARG 32 CO 0.00 -0.69 0.60 -2.00 -1.08 0.00 0.00 175.30 172.14 3dll s GLU 33 N -3.85 3.62 -0.17 3.89 2.56 -1.26 -1.60 118.70 121.90 3dll s GLU 33 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.97 54.91 3dll s GLU 33 Cb -0.03 -3.82 -0.05 0.00 2.00 0.00 0.00 34.13 32.23 3dll s GLU 33 CO -0.02 -0.74 0.12 0.54 -0.56 0.00 0.00 175.26 174.60 3dll s VAL 34 N 2.63 5.35 0.00 3.70 0.11 0.59 -4.92 120.40 127.86 3dll s VAL 34 Ca 0.23 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 3dll s VAL 34 Cb -0.15 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 3dll s VAL 34 CO 0.15 0.51 0.00 -1.54 -3.33 0.00 0.00 175.10 170.89 3dll n SER 35 N 2.94 0.00 -0.31 3.54 3.41 -1.26 -1.16 113.62 120.78 3dll n SER 35 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3dll n SER 35 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3dll n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3dll n ASP 36 N 0.00 0.00 -4.78 4.04 -0.08 -1.26 -3.97 116.55 110.50 3dll n ASP 36 Ca 0.00 -1.18 -0.35 0.00 -1.51 0.00 0.00 54.79 51.76 3dll n ASP 36 Cb 0.00 -0.04 -0.02 0.00 2.34 0.00 0.00 41.12 43.41 3dll n ASP 36 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3dll s THR 37 N 0.00 3.43 0.27 5.18 2.01 -1.26 -4.70 115.64 120.57 3dll s THR 37 Ca 0.00 0.91 -0.04 0.00 0.31 0.00 0.00 61.69 62.87 3dll s THR 37 Cb 0.00 -3.38 0.32 0.00 0.01 0.00 0.00 72.50 69.45 3dll s THR 37 CO 0.00 -0.17 1.62 1.55 -0.69 0.00 0.00 174.62 176.93 3dll h PRO 38 N 1.45 0.09 -0.05 4.92 0.13 -1.99 0.25 132.00 136.81 3dll h PRO 38 Ca -0.50 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3dll h PRO 38 Cb 1.24 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3dll h PRO 38 CO 0.58 0.06 -0.09 0.00 -0.23 0.00 0.00 178.00 178.33 3dll h ALA 39 N 1.79 -0.42 -0.85 -0.56 0.00 -1.98 1.06 119.26 118.30 3dll h ALA 39 Ca 0.48 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.59 3dll h ALA 39 Cb 0.90 0.73 -0.12 0.00 0.00 0.00 0.00 17.79 19.29 3dll h ALA 39 CO -0.73 -0.46 0.30 0.28 0.00 0.00 0.00 179.25 178.64 3dll h VAL 40 N -0.07 0.46 0.77 0.00 2.07 -1.14 0.53 116.25 118.87 3dll h VAL 40 Ca 0.01 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3dll h VAL 40 Cb 0.10 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3dll h VAL 40 CO -0.08 0.06 -0.37 0.03 0.02 0.00 0.00 177.57 177.23 3dll h ARG 41 N 0.33 -0.99 -0.30 1.57 3.08 0.54 -2.82 114.38 115.78 3dll h ARG 41 Ca 0.51 0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.69 3dll h ARG 41 Cb 0.96 0.23 -0.08 0.00 0.08 0.00 0.00 29.97 31.15 3dll h ARG 41 CO -0.54 -0.64 -0.40 0.78 -1.07 0.00 0.00 179.97 178.09 3dll h GLY 42 N -1.17 -0.55 -0.49 0.04 0.00 0.22 -0.77 103.07 100.34 3dll h GLY 42 Ca -0.11 0.51 0.08 0.00 0.00 0.00 0.00 47.33 47.81 3dll h GLY 42 CO 0.17 -0.20 -0.19 1.03 0.00 0.00 0.00 176.54 177.35 3dll n MET 43 N -5.42 -0.11 0.00 4.80 2.81 0.18 -1.67 117.12 117.70 3dll n MET 43 Ca -0.02 0.75 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 3dll n MET 43 Cb 0.35 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 3dll n MET 43 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3dll n VAL 44 N -4.72 0.00 0.00 2.03 0.31 -0.41 -4.20 118.33 111.33 3dll n VAL 44 Ca 0.05 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 3dll n VAL 44 Cb 0.20 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3dll n VAL 44 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3dll n LYS 45 N 0.00 0.00 0.00 5.55 3.00 -0.53 0.21 118.16 126.39 3dll n LYS 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3dll n LYS 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3dll n LYS 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3dll n THR 46 N 0.00 0.01 -2.00 3.15 -2.24 -0.67 -0.62 114.28 111.91 3dll n THR 46 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dll n THR 46 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3dll n THR 46 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3dll n VAL 47 N 0.43 0.00 0.00 2.28 0.24 0.57 -4.69 118.33 117.15 3dll n VAL 47 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3dll n VAL 47 Cb 0.06 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 3dll n VAL 47 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3dll n LYS 48 N 0.00 0.00 -0.15 7.34 4.81 0.20 -2.46 118.16 127.90 3dll n LYS 48 Ca 0.00 0.62 0.16 0.00 -0.87 0.00 0.00 58.31 58.22 3dll n LYS 48 Cb 0.52 -1.17 0.25 0.00 0.02 0.00 0.00 35.03 34.65 3dll n LYS 48 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3dll n HIS 49 N -1.62 0.00 0.00 5.64 1.44 -1.26 -2.76 115.22 116.66 3dll n HIS 49 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3dll n HIS 49 Cb 0.00 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 29.96 3dll n HIS 49 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3dll n LEU 50 N -2.37 0.44 -4.56 2.39 4.32 -1.03 -4.85 117.00 111.34 3dll n LEU 50 Ca 0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.72 3dll n LEU 50 Cb 0.80 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.57 3dll n LEU 50 CO 0.13 0.00 1.45 -1.48 -1.22 0.00 0.00 177.39 176.27 3dll s LEU 51 N -0.48 3.33 0.50 2.23 2.34 -1.11 -2.91 118.68 122.58 3dll s LEU 51 Ca 0.00 0.33 -0.23 0.00 0.06 0.00 0.00 54.13 54.29 3dll s LEU 51 Cb 0.00 -2.79 -0.07 0.00 -0.56 0.00 0.00 46.19 42.77 3dll s LEU 51 CO 0.00 -2.05 1.34 1.21 -1.06 0.00 0.00 176.35 175.79 3dll n GLU 52 N 8.98 1.85 -4.22 1.48 2.13 -0.80 -4.58 120.64 125.48 3dll n GLU 52 Ca 0.16 0.67 -0.32 0.00 0.66 0.00 0.00 57.16 58.34 3dll n GLU 52 Cb 0.50 -2.53 -0.08 0.00 0.27 0.00 0.00 31.44 29.60 3dll n GLU 52 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dll s VAL 53 N -1.26 4.13 0.00 6.31 1.01 -1.26 -1.31 120.40 128.03 3dll s VAL 53 Ca 0.67 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3dll s VAL 53 Cb -0.44 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3dll s VAL 53 CO 0.53 0.27 0.00 1.67 0.00 0.00 0.00 175.10 177.57 3dll n GLN 54 N 1.05 0.00 0.00 2.72 7.27 0.76 -4.95 117.38 124.22 3dll n GLN 54 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 3dll n GLN 54 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 3dll n GLN 54 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52