#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dct s GLU 2 N 0.00 3.48 -0.11 3.17 0.41 -1.26 -4.94 118.70 119.46 2dct s GLU 2 Ca 0.00 0.19 -0.04 0.00 -0.41 0.00 0.00 54.97 54.71 2dct s GLU 2 Cb 0.00 -4.03 0.06 0.00 -1.78 0.00 0.00 34.13 28.38 2dct s GLU 2 CO 0.00 -1.71 0.21 -1.50 -0.49 0.00 0.00 175.26 171.77 2dct s ILE 3 N 4.98 -0.33 0.08 -1.63 2.07 -1.26 -5.13 121.20 119.97 2dct s ILE 3 Ca 0.42 0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.99 2dct s ILE 3 Cb -0.08 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 2dct s ILE 3 CO 0.24 0.13 -0.07 -0.54 -1.91 0.00 0.00 174.94 172.79 2dct s LYS 4 N 2.30 0.71 -0.47 3.50 1.02 -1.26 -5.09 119.74 120.45 2dct s LYS 4 Ca 0.02 -1.10 -0.21 0.00 0.02 0.00 0.00 55.97 54.69 2dct s LYS 4 Cb -0.12 -0.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.96 2dct s LYS 4 CO -0.07 0.02 0.72 0.34 -0.92 0.00 0.00 175.35 175.43 2dct s ASP 5 N -2.43 6.32 0.12 2.83 -1.08 -1.26 -4.96 116.67 116.21 2dct s ASP 5 Ca 0.03 -0.41 -0.28 0.00 -0.52 0.00 0.00 52.55 51.37 2dct s ASP 5 Cb -0.01 -2.35 -0.07 0.00 -1.46 0.00 0.00 42.92 39.03 2dct s ASP 5 CO -0.02 -0.91 1.61 -0.07 0.52 0.00 0.00 175.17 176.31 2dct h LEU 6 N 10.00 -0.95 -1.31 -1.34 3.38 -2.01 -2.82 115.31 120.25 2dct h LEU 6 Ca -0.26 0.12 0.14 0.00 0.09 0.00 0.00 57.88 57.97 2dct h LEU 6 Cb 1.09 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 2dct h LEU 6 CO 0.95 -0.40 0.56 0.11 0.09 0.00 0.00 178.44 179.76 2dct h LYS 7 N -0.51 0.66 0.00 1.13 1.57 -1.98 0.84 116.57 118.29 2dct h LYS 7 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dct h LYS 7 Cb 0.57 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2dct h LYS 7 CO -0.23 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 2dct h ARG 8 N 0.68 0.00 0.00 3.15 3.08 -1.93 -1.68 114.38 117.69 2dct h ARG 8 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2dct h ARG 8 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2dct h ARG 8 CO -0.19 0.00 -0.59 -0.07 -1.07 0.00 0.00 179.97 178.05 2dct h LEU 9 N 0.00 0.00 -9.66 3.04 3.38 -0.82 -3.47 115.31 107.78 2dct h LEU 9 Ca 0.00 -0.09 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 2dct h LEU 9 Cb 0.23 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.03 2dct h LEU 9 CO 0.00 0.05 0.96 0.00 0.09 0.00 0.00 178.44 179.54 2dct s ALA 10 N -3.23 3.87 -0.09 1.53 0.00 -0.63 -4.98 121.76 118.23 2dct s ALA 10 Ca 0.05 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 2dct s ALA 10 Cb 0.11 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.59 2dct s ALA 10 CO 0.72 -0.88 0.03 1.03 0.00 0.00 0.00 175.76 176.66 2dct s ARG 11 N 1.00 0.36 -0.05 0.00 1.81 -1.26 -5.09 118.95 115.72 2dct s ARG 11 Ca 0.72 0.09 -0.16 0.00 -1.72 0.00 0.00 55.73 54.67 2dct s ARG 11 Cb -0.48 -1.10 -0.05 0.00 -0.45 0.00 0.00 34.95 32.88 2dct s ARG 11 CO 0.33 -0.40 0.42 0.71 -0.68 0.00 0.00 175.30 175.68 2dct s TYR 12 N 2.03 3.64 -0.23 -0.53 2.02 -1.26 -4.66 117.35 118.36 2dct s TYR 12 Ca 0.04 0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 57.63 2dct s TYR 12 Cb -0.13 -2.37 -0.01 0.00 -0.40 0.00 0.00 41.96 39.04 2dct s TYR 12 CO -0.05 0.47 -0.03 1.21 -1.57 0.00 0.00 175.55 175.58 2dct s ASN 13 N -0.44 4.43 0.43 2.29 3.84 -1.26 -4.99 114.94 119.23 2dct s ASN 13 Ca 0.24 -0.39 0.15 0.00 0.21 0.00 0.00 52.86 53.07 2dct s ASN 13 Cb -0.16 -1.76 1.04 0.00 -0.55 0.00 0.00 41.25 39.82 2dct s ASN 13 CO 0.12 -0.03 1.94 -0.65 -2.79 0.00 0.00 177.10 175.69 2dct h PRO 14 N 8.13 0.41 -0.36 0.43 0.11 -1.99 -2.71 132.00 136.02 2dct h PRO 14 Ca -0.41 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 2dct h PRO 14 Cb 1.16 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2dct h PRO 14 CO 0.60 0.27 -0.32 1.49 -0.21 0.00 0.00 178.00 179.83 2dct h GLU 15 N 0.42 0.86 -2.47 1.05 4.81 -2.03 -3.48 114.58 113.75 2dct h GLU 15 Ca 0.34 -0.44 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2dct h GLU 15 Cb 0.74 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.00 2dct h GLU 15 CO -0.10 1.08 0.42 -1.59 -0.73 0.00 0.00 179.01 178.09 2dct s LYS 16 N -4.43 1.01 0.83 1.92 -2.85 -1.02 -5.10 119.74 110.10 2dct s LYS 16 Ca -0.12 -0.42 -0.13 0.00 -1.00 0.00 0.00 55.97 54.30 2dct s LYS 16 Cb 0.10 0.44 0.07 0.00 -2.06 0.00 0.00 37.83 36.38 2dct s LYS 16 CO 0.86 -0.45 1.02 0.00 0.10 0.00 0.00 175.35 176.88 2dct n MET 17 N -0.32 0.07 -4.70 1.78 0.00 -1.26 -4.04 117.12 108.65 2dct n MET 17 Ca -0.10 0.10 -0.27 0.00 0.00 0.00 0.00 57.70 57.43 2dct n MET 17 Cb 0.62 -2.29 -0.14 0.00 0.00 0.00 0.00 33.22 31.41 2dct n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dct s ALA 18 N -2.18 1.95 -0.26 3.17 0.00 -0.37 -4.91 121.76 119.16 2dct s ALA 18 Ca 0.70 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 2dct s ALA 18 Cb -0.28 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2dct s ALA 18 CO 0.54 0.45 -0.01 0.15 0.00 0.00 0.00 175.76 176.89 2dct s LYS 19 N -1.27 2.97 -0.39 0.00 1.02 -1.26 -0.15 119.74 120.65 2dct s LYS 19 Ca 0.09 -0.91 -0.08 0.00 0.02 0.00 0.00 55.97 55.09 2dct s LYS 19 Cb -0.09 -3.13 0.06 0.00 -0.52 0.00 0.00 37.83 34.15 2dct s LYS 19 CO 0.02 -0.40 0.21 0.42 -0.92 0.00 0.00 175.35 174.68 2dct s ILE 20 N 1.40 4.10 0.21 2.17 -1.09 0.15 -4.93 121.20 123.21 2dct s ILE 20 Ca 0.01 -1.29 -0.31 0.00 -2.23 0.00 0.00 60.65 56.83 2dct s ILE 20 Cb -0.17 -3.44 -0.11 0.00 -1.58 0.00 0.00 42.46 37.16 2dct s ILE 20 CO -0.02 -0.39 1.60 -2.84 -1.23 0.00 0.00 174.94 172.06 2dct s PRO 21 N 1.42 4.18 -0.17 2.79 0.02 -1.26 -0.32 135.00 141.65 2dct s PRO 21 Ca 0.02 2.47 -0.14 0.00 0.02 0.00 0.00 61.00 63.36 2dct s PRO 21 Cb -0.21 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.12 2dct s PRO 21 CO 0.03 -0.63 -0.08 0.28 -0.33 0.00 0.00 177.00 176.27 2dct n VAL 22 N 3.39 1.47 -4.38 3.83 0.31 0.00 -4.88 118.33 118.08 2dct n VAL 22 Ca 0.12 0.10 -0.23 0.00 -0.01 0.00 0.00 64.34 64.32 2dct n VAL 22 Cb 0.38 -2.25 -0.11 0.00 -0.91 0.00 0.00 33.84 30.95 2dct n VAL 22 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2dct s PHE 23 N -2.35 2.01 -0.38 3.52 0.08 -1.17 -5.03 117.98 114.66 2dct s PHE 23 Ca -0.22 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.30 2dct s PHE 23 Cb 0.04 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 2dct s PHE 23 CO 0.37 0.43 0.20 -1.14 -0.10 0.00 0.00 175.22 174.98 2dct s GLN 24 N -2.90 2.78 0.02 0.44 0.74 -1.26 -4.40 119.66 115.08 2dct s GLN 24 Ca 0.19 -1.13 0.07 0.00 0.05 0.00 0.00 55.36 54.54 2dct s GLN 24 Cb -0.06 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 2dct s GLN 24 CO 0.09 -0.72 -0.20 0.45 -0.55 0.00 0.00 175.29 174.36 2dct s SER 25 N 1.58 2.33 0.00 6.67 0.15 -1.26 -5.00 113.70 118.18 2dct s SER 25 Ca 0.02 -0.45 0.28 0.00 0.70 0.00 0.00 55.95 56.50 2dct s SER 25 Cb -0.20 -0.22 1.13 0.00 -1.71 0.00 0.00 66.02 65.03 2dct s SER 25 CO 0.06 0.18 1.84 -0.62 1.20 0.00 0.00 173.24 175.90 2dct n GLU 26 N 2.14 0.17 0.00 5.44 1.02 -1.26 -3.85 120.64 124.30 2dct n GLU 26 Ca -0.16 -0.04 0.03 0.00 -0.02 0.00 0.00 57.16 56.97 2dct n GLU 26 Cb 0.53 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 2dct n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dct n ARG 27 N -1.38 1.40 -3.69 3.49 1.74 -1.26 -4.42 116.66 112.53 2dct n ARG 27 Ca 0.09 -0.63 -0.02 0.00 -0.77 0.00 0.00 57.85 56.52 2dct n ARG 27 Cb 0.32 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.72 2dct n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dct s MET 28 N -0.83 0.89 -0.11 5.56 0.23 -1.25 -3.06 119.30 120.73 2dct s MET 28 Ca 0.06 -0.48 -0.00 0.00 -1.03 0.00 0.00 55.69 54.23 2dct s MET 28 Cb 0.05 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.63 2dct s MET 28 CO 0.13 -0.41 -0.09 -0.51 -2.03 0.00 0.00 175.02 172.11 2dct s LEU 29 N -2.92 3.00 -0.43 0.18 1.43 0.12 -4.06 118.68 116.00 2dct s LEU 29 Ca 0.13 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2dct s LEU 29 Cb 0.01 -1.68 0.14 0.00 0.03 0.00 0.00 46.19 44.69 2dct s LEU 29 CO -0.00 0.25 0.25 -0.47 0.23 0.00 0.00 176.35 176.60 2dct s TYR 30 N -0.12 1.70 0.34 0.29 5.04 -1.26 -0.73 117.35 122.61 2dct s TYR 30 Ca 0.00 -2.27 0.09 0.00 -2.44 0.00 0.00 57.07 52.46 2dct s TYR 30 Cb -0.13 -1.64 -0.06 0.00 0.35 0.00 0.00 41.96 40.48 2dct s TYR 30 CO 0.03 -0.79 -0.05 -0.51 -1.34 0.00 0.00 175.55 172.89 2dct s ASP 31 N 0.43 3.94 -0.09 4.32 1.01 0.04 -0.82 116.67 125.50 2dct s ASP 31 Ca 0.19 -1.09 -0.01 0.00 0.71 0.00 0.00 52.55 52.35 2dct s ASP 31 Cb -0.21 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.25 2dct s ASP 31 CO -0.02 -0.20 -0.03 -0.76 0.21 0.00 0.00 175.17 174.37 2dct s LEU 32 N -3.65 3.36 -0.22 1.23 1.43 0.56 0.54 118.68 121.93 2dct s LEU 32 Ca 0.33 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2dct s LEU 32 Cb 0.01 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 2dct s LEU 32 CO 0.18 0.34 -0.06 -0.31 0.23 0.00 0.00 176.35 176.73 2dct s TYR 33 N -0.66 2.95 -0.38 0.29 1.51 0.45 0.32 117.35 121.84 2dct s TYR 33 Ca 0.10 -1.03 -0.09 0.00 -1.01 0.00 0.00 57.07 55.05 2dct s TYR 33 Cb -0.12 -2.09 0.05 0.00 -0.11 0.00 0.00 41.96 39.69 2dct s TYR 33 CO 0.02 -0.58 0.19 0.00 -1.11 0.00 0.00 175.55 174.07 2dct s ALA 34 N 1.46 3.20 -0.20 3.71 0.00 0.78 -0.83 121.76 129.87 2dct s ALA 34 Ca 0.05 -1.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.12 2dct s ALA 34 Cb -0.14 -2.50 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 2dct s ALA 34 CO -0.04 -1.46 -0.09 -0.51 0.00 0.00 0.00 175.76 173.66 2dct s LEU 35 N 1.45 2.67 0.67 0.00 1.02 0.27 -1.23 118.68 123.53 2dct s LEU 35 Ca 0.01 -0.46 -0.08 0.00 0.02 0.00 0.00 54.13 53.62 2dct s LEU 35 Cb -0.21 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.38 2dct s LEU 35 CO 0.04 -0.01 1.01 -0.76 0.02 0.00 0.00 176.35 176.65 2dct s LEU 36 N 1.38 2.96 0.28 1.79 1.43 -1.26 -0.19 118.68 125.06 2dct s LEU 36 Ca 0.05 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 2dct s LEU 36 Cb -0.14 -3.48 -0.14 0.00 0.03 0.00 0.00 46.19 42.46 2dct s LEU 36 CO -0.06 -1.37 1.18 -2.65 0.23 0.00 0.00 176.35 173.69 2dct n PRO 37 N -2.86 1.66 -0.03 1.29 -0.02 -1.26 -1.09 135.00 132.69 2dct n PRO 37 Ca 0.06 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2dct n PRO 37 Cb 0.59 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2dct n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dct n GLY 38 N 1.42 2.50 3.93 -1.23 0.00 0.80 -5.01 105.19 107.59 2dct n GLY 38 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2dct n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dct s GLN 39 N -0.15 3.48 -0.00 1.61 -0.21 -0.25 -4.85 119.66 119.28 2dct s GLN 39 Ca 0.00 -0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.00 2dct s GLN 39 Cb 0.00 -2.52 0.10 0.00 1.00 0.00 0.00 33.01 31.60 2dct s GLN 39 CO 0.00 -0.05 0.99 0.00 -2.12 0.00 0.00 175.29 174.11 2dct s ALA 40 N -2.54 -1.87 -0.38 6.09 0.00 -1.26 -0.50 121.76 121.30 2dct s ALA 40 Ca 0.44 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 2dct s ALA 40 Cb -0.10 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.41 2dct s ALA 40 CO 0.40 -0.78 0.23 -1.14 0.00 0.00 0.00 175.76 174.48 2dct s GLN 41 N -2.97 2.95 0.56 0.00 0.74 0.14 -4.76 119.66 116.31 2dct s GLN 41 Ca 0.08 -1.01 -0.20 0.00 0.05 0.00 0.00 55.36 54.28 2dct s GLN 41 Cb -0.01 -3.80 -0.06 0.00 1.10 0.00 0.00 33.01 30.24 2dct s GLN 41 CO -0.05 -0.68 1.00 1.63 -0.55 0.00 0.00 175.29 176.63 2dct n LYS 42 N 5.05 1.04 -1.98 1.67 5.02 -1.26 -2.22 118.16 125.48 2dct n LYS 42 Ca -0.12 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 2dct n LYS 42 Cb 0.47 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 2dct n LYS 42 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dct s VAL 43 N -1.46 2.93 0.14 -0.18 1.01 -1.26 -4.62 120.40 116.97 2dct s VAL 43 Ca 0.73 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 2dct s VAL 43 Cb -0.44 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2dct s VAL 43 CO 0.49 0.03 0.30 -1.00 0.00 0.00 0.00 175.10 174.92 2dct s HIS 44 N 1.74 0.18 -0.10 5.22 3.76 -0.32 -4.86 115.29 120.92 2dct s HIS 44 Ca 0.70 -0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 55.05 2dct s HIS 44 Cb -0.41 0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.29 2dct s HIS 44 CO 0.31 -0.69 -0.04 0.08 -0.85 0.00 0.00 174.74 173.55 2dct s VAL 45 N -3.90 3.90 -0.33 -0.90 1.01 -1.26 -0.70 120.40 118.22 2dct s VAL 45 Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2dct s VAL 45 Cb 0.03 -2.64 0.10 0.00 0.00 0.00 0.00 36.38 33.88 2dct s VAL 45 CO -0.05 0.57 0.11 -2.28 0.00 0.00 0.00 175.10 173.45 2dct s HIS 46 N -0.52 2.14 0.23 5.22 2.46 -1.26 -4.99 115.29 118.57 2dct s HIS 46 Ca 0.08 -2.07 0.28 0.00 0.47 0.00 0.00 55.06 53.81 2dct s HIS 46 Cb -0.12 -1.97 1.22 0.00 -0.13 0.00 0.00 32.58 31.57 2dct s HIS 46 CO 0.02 -0.88 1.95 0.93 -2.47 0.00 0.00 174.74 174.29 2dct h GLU 47 N 7.81 0.00 -0.01 2.88 5.08 -1.92 -3.01 114.58 125.41 2dct h GLU 47 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2dct h GLU 47 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2dct h GLU 47 CO 0.48 0.15 -0.00 0.41 -1.00 0.00 0.00 179.01 179.05 2dct n GLY 48 N -0.16 -0.19 3.33 -3.84 0.00 -1.26 -4.44 105.19 98.63 2dct n GLY 48 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2dct n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dct s SER 49 N -2.01 -0.06 -0.05 1.61 1.04 -1.20 -4.23 113.70 108.79 2dct s SER 49 Ca 0.39 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 2dct s SER 49 Cb 0.21 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 2dct s SER 49 CO 0.34 -0.87 0.02 -1.81 0.98 0.00 0.00 173.24 171.91 2dct s ASP 50 N -2.88 5.35 0.03 7.02 1.11 0.14 -2.33 116.67 125.11 2dct s ASP 50 Ca 0.09 0.12 0.05 0.00 0.18 0.00 0.00 52.55 52.99 2dct s ASP 50 Cb 0.03 -1.50 -0.02 0.00 1.07 0.00 0.00 42.92 42.50 2dct s ASP 50 CO -0.07 0.34 -0.15 -0.75 1.18 0.00 0.00 175.17 175.72 2dct s LYS 51 N -1.22 1.03 -0.08 8.23 2.20 0.13 -0.77 119.74 129.25 2dct s LYS 51 Ca 0.17 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 2dct s LYS 51 Cb -0.12 -1.05 0.02 0.00 -1.51 0.00 0.00 37.83 35.17 2dct s LYS 51 CO 0.07 0.26 -0.10 0.08 -0.36 0.00 0.00 175.35 175.30 2dct s VAL 52 N -0.79 1.02 -0.18 4.02 1.01 0.64 0.76 120.40 126.89 2dct s VAL 52 Ca 0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2dct s VAL 52 Cb -0.08 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2dct s VAL 52 CO 0.01 0.34 0.11 -0.31 0.00 0.00 0.00 175.10 175.26 2dct s TYR 53 N 1.08 3.40 -0.09 5.22 2.02 0.36 -1.08 117.35 128.26 2dct s TYR 53 Ca -0.07 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 2dct s TYR 53 Cb -0.14 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2dct s TYR 53 CO -0.01 0.34 -0.12 -0.47 -1.57 0.00 0.00 175.55 173.72 2dct s TYR 54 N 0.08 1.58 -0.35 2.71 5.04 0.67 0.24 117.35 127.33 2dct s TYR 54 Ca 0.08 -0.68 -0.27 0.00 -2.44 0.00 0.00 57.07 53.77 2dct s TYR 54 Cb -0.11 -1.19 0.01 0.00 0.35 0.00 0.00 41.96 41.02 2dct s TYR 54 CO -0.00 -0.38 0.96 0.00 -1.34 0.00 0.00 175.55 174.78 2dct s ALA 55 N 1.00 3.45 -0.11 3.97 0.00 -0.17 0.52 121.76 130.42 2dct s ALA 55 Ca -0.08 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 2dct s ALA 55 Cb -0.15 -3.55 -0.27 0.00 0.00 0.00 0.00 23.12 19.15 2dct s ALA 55 CO -0.01 -1.52 0.47 -0.07 0.00 0.00 0.00 175.76 174.64 2dct h LEU 56 N 10.00 0.41 -7.63 0.00 3.38 -1.03 0.52 115.31 120.96 2dct h LEU 56 Ca -0.22 -0.88 -0.17 0.00 0.09 0.00 0.00 57.88 56.70 2dct h LEU 56 Cb 1.08 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.45 2dct h LEU 56 CO 0.99 1.74 -0.50 -0.70 0.09 0.00 0.00 178.44 180.05 2dct s GLU 57 N -2.52 0.31 2.43 1.13 2.56 -0.55 -4.75 118.70 117.31 2dct s GLU 57 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.97 54.76 2dct s GLU 57 Cb 0.06 0.14 0.00 0.00 2.00 0.00 0.00 34.13 36.33 2dct s GLU 57 CO 0.77 -0.06 0.00 0.41 -0.56 0.00 0.00 175.26 175.82 2dct n GLY 58 N 2.39 -0.15 3.10 -1.50 0.00 -1.26 0.09 105.19 107.86 2dct n GLY 58 Ca -0.16 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 2dct n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dct s GLU 59 N 0.00 0.49 0.11 1.61 -1.05 -1.26 -3.21 118.70 115.38 2dct s GLU 59 Ca 0.00 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 54.38 2dct s GLU 59 Cb 0.00 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 2dct s GLU 59 CO 0.00 -0.12 -0.07 0.14 0.95 0.00 0.00 175.26 176.16 2dct s VAL 60 N -1.54 0.78 -0.34 1.83 -7.23 -1.03 -4.60 120.40 108.27 2dct s VAL 60 Ca -0.14 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 57.90 2dct s VAL 60 Cb -0.07 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2dct s VAL 60 CO 0.01 -0.85 0.52 -0.69 -0.31 0.00 0.00 175.10 173.78 2dct s VAL 61 N -3.55 5.01 -0.15 1.32 1.01 0.77 -0.22 120.40 124.59 2dct s VAL 61 Ca 0.13 0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 2dct s VAL 61 Cb 0.05 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2dct s VAL 61 CO -0.04 -0.19 0.15 0.54 0.00 0.00 0.00 175.10 175.56 2dct s VAL 62 N 2.41 5.45 -0.11 2.92 0.11 0.48 -1.21 120.40 130.45 2dct s VAL 62 Ca 0.19 0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 2dct s VAL 62 Cb -0.15 -3.44 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 2dct s VAL 62 CO 0.13 0.54 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.66 2dct s ARG 63 N -0.45 3.11 -0.10 1.54 3.52 0.58 -0.65 118.95 126.51 2dct s ARG 63 Ca 0.13 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 2dct s ARG 63 Cb -0.12 -2.46 0.02 0.00 -1.56 0.00 0.00 34.95 30.84 2dct s ARG 63 CO 0.02 0.26 -0.08 0.08 -0.81 0.00 0.00 175.30 174.78 2dct s VAL 64 N 0.18 0.99 0.00 7.11 1.01 -0.34 -1.41 120.40 127.94 2dct s VAL 64 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2dct s VAL 64 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2dct s VAL 64 CO 0.06 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2dct n GLY 65 N 4.74 2.06 2.08 4.51 0.00 0.16 -2.22 105.19 116.51 2dct n GLY 65 Ca -0.14 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2dct n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dct n GLU 66 N 13.15 2.37 -4.25 1.61 -0.58 -1.26 -4.69 120.64 126.98 2dct n GLU 66 Ca 0.00 -3.04 -0.19 0.00 -0.42 0.00 0.00 57.16 53.51 2dct n GLU 66 Cb 0.00 -2.14 -0.13 0.00 -0.57 0.00 0.00 31.44 28.60 2dct n GLU 66 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2dct s GLU 67 N -3.26 0.86 0.09 3.49 2.12 -0.94 -5.14 118.70 115.92 2dct s GLU 67 Ca 0.55 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 55.11 2dct s GLU 67 Cb 0.47 -0.87 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 2dct s GLU 67 CO 0.10 0.20 -0.22 -1.21 -0.54 0.00 0.00 175.26 173.59 2dct s GLU 68 N -1.45 1.25 0.07 4.30 2.02 -1.26 -1.20 118.70 122.43 2dct s GLU 68 Ca -0.00 -1.13 -0.13 0.00 0.02 0.00 0.00 54.97 53.72 2dct s GLU 68 Cb -0.09 -1.51 0.02 0.00 0.10 0.00 0.00 34.13 32.64 2dct s GLU 68 CO 0.02 0.36 0.29 0.00 0.02 0.00 0.00 175.26 175.95 2dct s ALA 69 N -1.05 -0.61 -0.39 5.21 0.00 0.18 -4.97 121.76 120.13 2dct s ALA 69 Ca 0.08 -0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.63 2dct s ALA 69 Cb -0.10 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.48 2dct s ALA 69 CO 0.04 -0.48 0.83 -1.17 0.00 0.00 0.00 175.76 174.97 2dct s LEU 70 N -2.42 4.11 -0.79 0.00 2.96 -1.26 -0.38 118.68 120.88 2dct s LEU 70 Ca -0.01 0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.98 2dct s LEU 70 Cb 0.01 -3.08 0.11 0.00 0.50 0.00 0.00 46.19 43.72 2dct s LEU 70 CO -0.07 -0.84 1.02 -0.22 -1.32 0.00 0.00 176.35 174.93 2dct s LEU 71 N 3.30 4.84 0.53 -0.68 2.96 0.69 -4.94 118.68 125.38 2dct s LEU 71 Ca 0.33 -1.59 -0.04 0.00 -0.22 0.00 0.00 54.13 52.62 2dct s LEU 71 Cb -0.12 -2.40 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 2dct s LEU 71 CO 0.20 -1.21 0.81 0.00 -1.32 0.00 0.00 176.35 174.82 2dct s ALA 72 N 3.20 3.47 0.16 5.97 0.00 -1.26 -2.47 121.76 130.84 2dct s ALA 72 Ca 0.27 -0.81 -0.33 0.00 0.00 0.00 0.00 51.96 51.08 2dct s ALA 72 Cb -0.11 -2.44 -0.16 0.00 0.00 0.00 0.00 23.12 20.42 2dct s ALA 72 CO -0.01 -0.60 1.24 -2.30 0.00 0.00 0.00 175.76 174.09 2dct n PRO 73 N -2.37 1.29 -0.03 0.00 -0.02 -1.20 -1.29 135.00 131.38 2dct n PRO 73 Ca 0.03 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2dct n PRO 73 Cb 0.57 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2dct n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dct n GLY 74 N 2.18 1.06 3.90 -1.23 0.00 0.17 -4.98 105.19 106.29 2dct n GLY 74 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2dct n GLY 74 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dct s MET 75 N -0.64 3.47 -0.02 1.61 -1.94 -0.41 -4.91 119.30 116.46 2dct s MET 75 Ca 0.00 -0.25 0.06 0.00 -1.71 0.00 0.00 55.69 53.78 2dct s MET 75 Cb 0.00 -3.10 -0.01 0.00 2.01 0.00 0.00 34.83 33.73 2dct s MET 75 CO 0.00 0.67 -0.19 0.00 -0.01 0.00 0.00 175.02 175.49 2dct s ALA 76 N -1.30 1.63 -0.07 3.03 0.00 -1.26 -1.00 121.76 122.80 2dct s ALA 76 Ca 0.27 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2dct s ALA 76 Cb -0.13 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 2dct s ALA 76 CO 0.17 0.37 -0.22 0.00 0.00 0.00 0.00 175.76 176.08 2dct s ALA 77 N -0.32 1.97 -0.23 0.00 0.00 0.14 -4.94 121.76 118.37 2dct s ALA 77 Ca 0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 2dct s ALA 77 Cb -0.09 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 2dct s ALA 77 CO 0.00 0.34 0.25 0.12 0.00 0.00 0.00 175.76 176.47 2dct s PHE 78 N 0.06 3.33 -0.63 0.00 5.36 -1.26 -0.49 117.98 124.35 2dct s PHE 78 Ca -0.08 0.36 0.02 0.00 -0.96 0.00 0.00 56.93 56.27 2dct s PHE 78 Cb -0.14 -2.38 0.16 0.00 -0.34 0.00 0.00 43.02 40.31 2dct s PHE 78 CO 0.05 0.01 0.41 0.00 -1.46 0.00 0.00 175.22 174.23 2dct s ALA 79 N 1.24 3.59 0.73 11.12 0.00 0.23 -4.97 121.76 133.70 2dct s ALA 79 Ca 0.12 -3.46 -0.14 0.00 0.00 0.00 0.00 51.96 48.48 2dct s ALA 79 Cb -0.14 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.67 2dct s ALA 79 CO 0.06 -2.07 1.15 -1.25 0.00 0.00 0.00 175.76 173.65 2dct s PRO 80 N -0.62 2.27 0.22 0.00 0.04 -1.26 -0.70 135.00 134.95 2dct s PRO 80 Ca 0.20 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 2dct s PRO 80 Cb -0.18 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 2dct s PRO 80 CO -0.06 -1.69 1.07 0.00 0.04 0.00 0.00 177.00 176.37 2dct n ALA 81 N -2.89 -0.63 0.00 8.56 0.00 -0.99 -1.63 120.51 122.93 2dct n ALA 81 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2dct n ALA 81 Cb 0.51 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2dct n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dct n GLY 82 N 1.70 3.08 3.70 0.00 0.00 -1.14 -4.94 105.19 107.58 2dct n GLY 82 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2dct n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dct s ALA 83 N -2.41 3.34 0.38 4.61 0.00 -0.65 -4.83 121.76 122.20 2dct s ALA 83 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 2dct s ALA 83 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 2dct s ALA 83 CO 0.00 -0.43 1.32 -1.25 0.00 0.00 0.00 175.76 175.40 2dct s PRO 84 N 1.56 4.12 0.11 0.00 0.04 -1.26 -4.55 135.00 135.02 2dct s PRO 84 Ca 0.46 2.22 -0.18 0.00 0.04 0.00 0.00 61.00 63.55 2dct s PRO 84 Cb -0.19 -2.89 0.04 0.00 0.04 0.00 0.00 34.50 31.51 2dct s PRO 84 CO 0.20 -0.39 0.44 -3.38 0.04 0.00 0.00 177.00 173.91 2dct s HIS 85 N -1.20 -0.28 0.01 0.56 -3.43 0.12 0.41 115.29 111.47 2dct s HIS 85 Ca 0.54 0.05 -0.29 0.00 -0.80 0.00 0.00 55.06 54.56 2dct s HIS 85 Cb -0.40 0.30 0.10 0.00 -1.43 0.00 0.00 32.58 31.16 2dct s HIS 85 CO 0.52 -0.69 1.26 0.20 -2.00 0.00 0.00 174.74 174.02 2dct s GLY 86 N -2.60 -0.24 -0.04 -1.38 0.00 -0.50 -1.17 107.32 101.39 2dct s GLY 86 Ca 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.00 2dct s GLY 86 CO -0.10 2.71 0.10 -1.34 0.00 0.00 0.00 173.10 174.48 2dct s VAL 87 N -2.24 -0.00 -0.02 1.40 -7.23 -0.94 -0.31 120.40 111.05 2dct s VAL 87 Ca 0.21 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.42 2dct s VAL 87 Cb 0.02 -0.15 0.00 0.00 0.56 0.00 0.00 36.38 36.81 2dct s VAL 87 CO -0.02 0.01 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.11 2dct s ARG 88 N 0.16 0.73 -0.55 4.82 3.52 -0.35 0.24 118.95 127.52 2dct s ARG 88 Ca -0.01 -0.23 -0.20 0.00 -0.13 0.00 0.00 55.73 55.16 2dct s ARG 88 Cb -0.02 -0.71 0.07 0.00 -1.56 0.00 0.00 34.95 32.73 2dct s ARG 88 CO -0.00 0.09 0.72 1.21 -0.81 0.00 0.00 175.30 176.50 2dct s ASN 89 N 0.17 6.22 0.00 -2.12 3.84 0.35 -0.16 114.94 123.24 2dct s ASN 89 Ca -0.02 -1.00 0.24 0.00 0.21 0.00 0.00 52.86 52.29 2dct s ASN 89 Cb -0.07 -2.32 0.26 0.00 -0.55 0.00 0.00 41.25 38.57 2dct s ASN 89 CO 0.00 -1.05 1.30 -0.62 -2.79 0.00 0.00 177.10 173.95 2dct n GLU 90 N 6.51 2.32 -2.04 0.43 1.02 -1.26 -0.14 120.64 127.47 2dct n GLU 90 Ca -0.06 -1.92 -0.29 0.00 -0.02 0.00 0.00 57.16 54.87 2dct n GLU 90 Cb 0.45 -1.47 0.18 0.00 -0.02 0.00 0.00 31.44 30.58 2dct n GLU 90 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dct s SER 91 N -1.94 3.27 -0.09 1.62 1.04 -1.26 -4.88 113.70 111.46 2dct s SER 91 Ca 0.30 0.14 0.18 0.00 0.48 0.00 0.00 55.95 57.05 2dct s SER 91 Cb 0.20 -0.22 0.65 0.00 0.10 0.00 0.00 66.02 66.75 2dct s SER 91 CO 0.30 -2.62 1.56 0.00 0.98 0.00 0.00 173.24 173.47 2dct n ALA 92 N -3.63 2.87 -2.33 5.32 0.00 -1.26 -4.42 120.51 117.07 2dct n ALA 92 Ca 0.15 -1.57 -0.15 0.00 0.00 0.00 0.00 53.44 51.87 2dct n ALA 92 Cb 0.60 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 2dct n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dct s SER 93 N -1.02 1.89 0.76 0.00 0.01 -1.26 -4.88 113.70 109.20 2dct s SER 93 Ca 0.47 -0.96 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 2dct s SER 93 Cb 0.30 -0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.55 2dct s SER 93 CO 0.24 -0.27 1.16 -2.84 0.41 0.00 0.00 173.24 171.94 2dct s PRO 94 N -3.45 2.05 -0.03 12.44 0.02 -1.26 -4.19 135.00 140.59 2dct s PRO 94 Ca 0.15 1.58 0.02 0.00 0.02 0.00 0.00 61.00 62.77 2dct s PRO 94 Cb 0.00 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2dct s PRO 94 CO 0.02 -1.87 -0.09 0.00 -0.33 0.00 0.00 177.00 174.73 2dct s ALA 95 N -2.30 0.84 -0.11 -1.55 0.00 0.73 -4.22 121.76 115.15 2dct s ALA 95 Ca 0.70 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.36 2dct s ALA 95 Cb -0.25 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2dct s ALA 95 CO 0.48 0.13 -0.17 -1.17 0.00 0.00 0.00 175.76 175.04 2dct s LEU 96 N 0.21 1.80 0.11 0.00 2.96 0.11 -0.56 118.68 123.30 2dct s LEU 96 Ca -0.03 -0.45 0.10 0.00 -0.22 0.00 0.00 54.13 53.53 2dct s LEU 96 Cb -0.08 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 2dct s LEU 96 CO 0.00 0.04 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.05 2dct s LEU 97 N 0.89 2.28 -0.32 -0.68 1.43 -0.01 -0.36 118.68 121.91 2dct s LEU 97 Ca -0.08 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.20 2dct s LEU 97 Cb -0.15 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2dct s LEU 97 CO -0.00 0.18 0.21 -0.22 0.23 0.00 0.00 176.35 176.75 2dct s LEU 98 N -1.85 4.34 -0.18 1.79 2.96 0.18 -0.41 118.68 125.51 2dct s LEU 98 Ca 0.13 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 2dct s LEU 98 Cb -0.10 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.51 2dct s LEU 98 CO 0.05 -0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.04 2dct s VAL 99 N 1.69 2.58 -0.13 1.68 1.01 0.19 -0.23 120.40 127.18 2dct s VAL 99 Ca 0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2dct s VAL 99 Cb -0.17 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2dct s VAL 99 CO 0.09 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.90 2dct s VAL 100 N 1.14 3.28 -0.08 2.92 1.01 -0.25 -0.78 120.40 127.65 2dct s VAL 100 Ca 0.01 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2dct s VAL 100 Cb -0.14 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2dct s VAL 100 CO -0.06 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.50 2dct s THR 101 N 0.31 1.55 -0.03 3.92 2.01 0.09 -0.26 115.64 123.23 2dct s THR 101 Ca -0.08 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 2dct s THR 101 Cb -0.15 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.02 2dct s THR 101 CO 0.05 0.45 0.06 0.00 -0.69 0.00 0.00 174.62 174.48 2dct s ALA 102 N 0.46 -0.06 1.00 7.40 0.00 0.05 0.10 121.76 130.72 2dct s ALA 102 Ca -0.15 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2dct s ALA 102 Cb -0.16 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2dct s ALA 102 CO 0.06 -0.09 0.07 -0.35 0.00 0.00 0.00 175.76 175.45 2dct n PRO 103 N 3.76 -0.31 -2.18 0.00 -0.04 -1.26 0.23 135.00 135.20 2dct n PRO 103 Ca -0.22 -0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 62.71 2dct n PRO 103 Cb 0.54 -0.08 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 2dct n PRO 103 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2dct s ARG 104 N -3.16 4.27 0.00 0.54 3.52 -1.17 -4.65 118.95 118.30 2dct s ARG 104 Ca 0.04 2.01 0.05 0.00 -0.13 0.00 0.00 55.73 57.71 2dct s ARG 104 Cb -0.00 -3.60 0.33 0.00 -1.56 0.00 0.00 34.95 30.12 2dct s ARG 104 CO 0.03 -0.61 0.80 -2.30 -0.81 0.00 0.00 175.30 172.41