#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 3.29 -0.05 2.12 2.02 -1.26 -5.02 118.70 119.80 2dct s GLU 2 Ca 0.00 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.59 2dct s GLU 2 Cb 0.00 -3.93 0.02 0.00 0.10 0.00 0.00 34.13 30.31 2dct s GLU 2 CO 0.00 -0.93 -0.08 -1.50 0.02 0.00 0.00 175.26 172.76 2dct s ILE 3 N 2.63 0.84 0.03 -1.63 2.07 -1.26 -5.14 121.20 118.75 2dct s ILE 3 Ca 0.20 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 59.16 2dct s ILE 3 Cb -0.15 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 2dct s ILE 3 CO 0.17 0.29 -0.09 -0.54 -1.91 0.00 0.00 174.94 172.87 2dct s LYS 4 N 0.77 0.58 -0.58 3.50 1.02 -1.26 -5.08 119.74 118.69 2dct s LYS 4 Ca -0.13 -0.64 -0.21 0.00 0.02 0.00 0.00 55.97 55.00 2dct s LYS 4 Cb -0.15 -0.45 0.06 0.00 -0.52 0.00 0.00 37.83 36.78 2dct s LYS 4 CO 0.02 0.10 0.82 0.34 -0.92 0.00 0.00 175.35 175.71 2dct s ASP 5 N -1.20 6.23 0.17 2.83 -1.08 -1.26 -4.95 116.67 117.42 2dct s ASP 5 Ca -0.05 -0.86 -0.19 0.00 -0.52 0.00 0.00 52.55 50.93 2dct s ASP 5 Cb -0.08 -2.37 0.11 0.00 -1.46 0.00 0.00 42.92 39.12 2dct s ASP 5 CO 0.01 -1.18 1.62 -0.07 0.52 0.00 0.00 175.17 176.07 2dct h LEU 6 N 10.56 -0.76 -0.98 -1.34 3.38 -2.01 -2.17 115.31 122.00 2dct h LEU 6 Ca -0.28 0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.97 2dct h LEU 6 Cb 1.08 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 42.15 2dct h LEU 6 CO 1.08 -0.25 0.61 0.11 0.09 0.00 0.00 178.44 180.09 2dct h LYS 7 N -0.14 0.97 0.00 1.13 6.56 -1.99 0.19 116.57 123.29 2dct h LYS 7 Ca 0.21 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2dct h LYS 7 Cb 0.46 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 2dct h LYS 7 CO -0.52 0.64 0.00 0.54 -2.06 0.00 0.00 179.45 178.06 2dct n ARG 8 N -4.62 0.02 0.07 3.15 1.74 -0.82 -1.67 116.66 114.54 2dct n ARG 8 Ca 0.18 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.74 2dct n ARG 8 Cb 0.31 -1.54 0.08 0.00 -1.02 0.00 0.00 32.46 30.29 2dct n ARG 8 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dct h LEU 9 N 0.00 0.00 -9.60 0.55 3.38 -0.93 -3.47 115.31 105.24 2dct h LEU 9 Ca 0.00 -0.15 -0.55 0.00 0.09 0.00 0.00 57.88 57.27 2dct h LEU 9 Cb 0.16 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.97 2dct h LEU 9 CO 0.00 0.08 0.91 0.00 0.09 0.00 0.00 178.44 179.51 2dct n ALA 10 N -1.97 2.17 -2.91 1.53 0.00 -0.67 -5.00 120.51 113.66 2dct n ALA 10 Ca 0.02 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 2dct n ALA 10 Cb 0.48 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.36 2dct n ALA 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dct s ARG 11 N 0.96 0.09 -0.08 0.00 1.81 -1.26 -5.11 118.95 115.36 2dct s ARG 11 Ca 0.76 -0.11 0.04 0.00 -1.72 0.00 0.00 55.73 54.70 2dct s ARG 11 Cb -0.58 0.03 -0.02 0.00 -0.45 0.00 0.00 34.95 33.94 2dct s ARG 11 CO 0.36 -0.01 -0.19 0.71 -0.68 0.00 0.00 175.30 175.49 2dct s TYR 12 N -0.31 2.62 -0.25 -0.53 2.02 -1.26 -4.66 117.35 114.98 2dct s TYR 12 Ca -0.03 -0.56 -0.10 0.00 -0.37 0.00 0.00 57.07 56.00 2dct s TYR 12 Cb -0.02 -1.68 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 2dct s TYR 12 CO -0.00 -0.12 0.15 1.21 -1.57 0.00 0.00 175.55 175.22 2dct s ASN 13 N -0.15 5.93 0.47 2.29 3.84 -1.26 -4.98 114.94 121.09 2dct s ASN 13 Ca -0.02 0.04 0.26 0.00 0.21 0.00 0.00 52.86 53.34 2dct s ASN 13 Cb -0.14 -2.07 1.08 0.00 -0.55 0.00 0.00 41.25 39.57 2dct s ASN 13 CO 0.04 0.04 1.89 1.55 -2.79 0.00 0.00 177.10 177.83 2dct h PRO 14 N 7.73 0.00 0.00 0.43 0.13 -1.98 -3.18 132.00 135.13 2dct h PRO 14 Ca -0.37 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.55 2dct h PRO 14 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2dct h PRO 14 CO 0.62 0.18 -1.11 0.93 -0.23 0.00 0.00 178.00 178.40 2dct h GLU 15 N 0.00 0.00 -2.25 0.86 4.39 -2.03 -3.48 114.58 112.06 2dct h GLU 15 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 2dct h GLU 15 Cb 0.64 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.15 2dct h GLU 15 CO 0.02 0.73 0.51 -1.59 -1.16 0.00 0.00 179.01 177.52 2dct s LYS 16 N -2.75 0.86 0.27 2.33 -2.85 -1.20 -5.11 119.74 111.29 2dct s LYS 16 Ca -0.00 -0.36 -0.29 0.00 -1.00 0.00 0.00 55.97 54.33 2dct s LYS 16 Cb 0.09 0.37 -0.14 0.00 -2.06 0.00 0.00 37.83 36.09 2dct s LYS 16 CO 0.81 -0.38 1.02 -0.12 0.10 0.00 0.00 175.35 176.77 2dct n MET 17 N -0.28 1.30 -3.56 1.78 0.00 -1.26 -4.07 117.12 111.02 2dct n MET 17 Ca -0.08 0.46 -0.37 0.00 -0.00 0.00 0.00 57.70 57.71 2dct n MET 17 Cb 0.61 -1.83 -0.07 0.00 0.00 0.00 0.00 33.22 31.94 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 -0.94 3.64 -0.27 -5.12 0.00 -0.48 -4.89 121.76 113.69 2dct s ALA 18 Ca 0.60 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 2dct s ALA 18 Cb -0.72 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2dct s ALA 18 CO 0.59 0.22 0.02 0.21 0.00 0.00 0.00 175.76 176.80 2dct s LYS 19 N 0.00 3.03 -0.36 0.00 2.20 -1.26 -0.67 119.74 122.69 2dct s LYS 19 Ca 0.18 -0.88 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 2dct s LYS 19 Cb -0.14 -3.21 0.10 0.00 -1.51 0.00 0.00 37.83 33.07 2dct s LYS 19 CO 0.06 -0.41 0.09 0.42 -0.36 0.00 0.00 175.35 175.16 2dct s ILE 20 N 1.44 2.67 0.21 5.43 1.01 0.84 -4.97 121.20 127.83 2dct s ILE 20 Ca 0.02 -2.16 -0.32 0.00 0.00 0.00 0.00 60.65 58.19 2dct s ILE 20 Cb -0.17 -2.87 -0.12 0.00 0.01 0.00 0.00 42.46 39.31 2dct s ILE 20 CO -0.00 -0.58 1.73 -2.84 0.00 0.00 0.00 174.94 173.25 2dct s PRO 21 N 1.01 4.12 -0.17 2.79 0.02 -1.26 -0.37 135.00 141.14 2dct s PRO 21 Ca 0.08 2.62 -0.25 0.00 0.02 0.00 0.00 61.00 63.47 2dct s PRO 21 Cb -0.20 -3.09 -0.22 0.00 0.02 0.00 0.00 34.50 31.01 2dct s PRO 21 CO -0.06 -0.76 0.47 0.28 -0.33 0.00 0.00 177.00 176.60 2dct h VAL 22 N 3.83 1.31 -3.68 3.83 2.07 -0.81 -3.46 116.25 119.34 2dct h VAL 22 Ca -0.43 -2.22 -0.38 0.00 0.82 0.00 0.00 66.70 64.48 2dct h VAL 22 Cb 1.20 2.71 -0.19 0.00 -1.52 0.00 0.00 31.29 33.50 2dct h VAL 22 CO 0.96 0.44 -0.75 -0.36 0.02 0.00 0.00 177.57 177.88 2dct s PHE 23 N -2.28 1.26 -0.54 1.57 0.08 -1.13 -5.02 117.98 111.91 2dct s PHE 23 Ca -0.23 -0.57 -0.11 0.00 0.12 0.00 0.00 56.93 56.13 2dct s PHE 23 Cb 0.01 -0.67 0.14 0.00 -0.57 0.00 0.00 43.02 41.93 2dct s PHE 23 CO 0.62 0.08 0.44 -0.65 -0.10 0.00 0.00 175.22 175.62 2dct s GLN 24 N -2.57 2.74 -0.06 0.44 -1.52 -1.26 -4.30 119.66 113.13 2dct s GLN 24 Ca 0.06 -1.90 0.02 0.00 -1.95 0.00 0.00 55.36 51.59 2dct s GLN 24 Cb -0.05 -4.06 -0.03 0.00 -0.22 0.00 0.00 33.01 28.65 2dct s GLN 24 CO 0.02 -1.24 -0.09 0.45 -0.25 0.00 0.00 175.29 174.18 2dct s SER 25 N 2.67 4.46 0.19 5.90 0.15 -1.25 -4.99 113.70 120.84 2dct s SER 25 Ca 0.07 -0.08 0.25 0.00 0.70 0.00 0.00 55.95 56.90 2dct s SER 25 Cb -0.25 -1.09 0.90 0.00 -1.71 0.00 0.00 66.02 63.88 2dct s SER 25 CO -0.01 0.35 1.75 -0.62 1.20 0.00 0.00 173.24 175.91 2dct n GLU 26 N 2.27 0.19 0.00 5.44 1.02 -1.26 -3.42 120.64 124.89 2dct n GLU 26 Ca -0.18 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 2dct n GLU 26 Cb 0.53 -1.78 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.13 0.33 -3.63 3.49 5.12 -1.26 -4.56 116.66 114.01 2dct n ARG 27 Ca 0.04 -0.08 -0.05 0.00 -1.93 0.00 0.00 57.85 55.82 2dct n ARG 27 Cb 0.33 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 30.09 2dct n ARG 27 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dct s MET 28 N -3.25 0.99 -0.15 5.56 0.23 -1.22 -3.75 119.30 117.71 2dct s MET 28 Ca 0.01 -0.48 -0.07 0.00 -1.03 0.00 0.00 55.69 54.12 2dct s MET 28 Cb 0.15 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.79 2dct s MET 28 CO 0.88 -0.44 0.11 -0.51 -2.03 0.00 0.00 175.02 173.02 2dct s LEU 29 N -2.73 4.15 -0.37 0.18 1.43 0.14 -3.86 118.68 117.62 2dct s LEU 29 Ca 0.09 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2dct s LEU 29 Cb -0.01 -2.03 0.13 0.00 0.03 0.00 0.00 46.19 44.31 2dct s LEU 29 CO -0.03 0.30 0.19 -0.47 0.23 0.00 0.00 176.35 176.57 2dct s TYR 30 N -0.39 1.42 0.33 0.29 5.04 -1.25 -0.93 117.35 121.86 2dct s TYR 30 Ca 0.11 -1.92 0.10 0.00 -2.44 0.00 0.00 57.07 52.92 2dct s TYR 30 Cb -0.12 -1.49 -0.06 0.00 0.35 0.00 0.00 41.96 40.64 2dct s TYR 30 CO 0.01 -0.82 -0.11 -0.51 -1.34 0.00 0.00 175.55 172.78 2dct s ASP 31 N 0.98 3.65 -0.11 4.32 1.01 0.50 -0.07 116.67 126.96 2dct s ASP 31 Ca 0.15 -1.17 -0.00 0.00 0.71 0.00 0.00 52.55 52.24 2dct s ASP 31 Cb -0.22 -0.33 -0.02 0.00 1.01 0.00 0.00 42.92 43.36 2dct s ASP 31 CO -0.08 -0.17 -0.08 -0.76 0.21 0.00 0.00 175.17 174.29 2dct s LEU 32 N -3.58 3.04 -0.23 1.23 1.43 0.50 0.77 118.68 121.84 2dct s LEU 32 Ca 0.32 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 2dct s LEU 32 Cb 0.01 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2dct s LEU 32 CO 0.16 0.26 -0.01 -0.31 0.23 0.00 0.00 176.35 176.67 2dct s TYR 33 N -0.18 2.99 -0.36 0.29 1.51 0.25 -0.11 117.35 121.74 2dct s TYR 33 Ca 0.02 -0.83 -0.09 0.00 -1.01 0.00 0.00 57.07 55.16 2dct s TYR 33 Cb -0.13 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2dct s TYR 33 CO 0.03 -0.51 0.17 0.00 -1.11 0.00 0.00 175.55 174.13 2dct s ALA 34 N 1.51 3.18 -0.20 3.71 0.00 0.16 -0.83 121.76 129.29 2dct s ALA 34 Ca 0.06 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 2dct s ALA 34 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 2dct s ALA 34 CO -0.02 -1.40 -0.07 -0.51 0.00 0.00 0.00 175.76 173.77 2dct s LEU 35 N 1.48 2.83 0.63 0.00 1.02 0.31 -1.39 118.68 123.57 2dct s LEU 35 Ca 0.01 -0.39 -0.09 0.00 0.02 0.00 0.00 54.13 53.68 2dct s LEU 35 Cb -0.20 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.31 2dct s LEU 35 CO 0.05 0.02 0.99 -0.76 0.02 0.00 0.00 176.35 176.66 2dct s LEU 36 N 1.25 3.12 0.34 1.79 1.43 -1.26 -0.27 118.68 125.07 2dct s LEU 36 Ca 0.03 0.97 -0.27 0.00 -1.03 0.00 0.00 54.13 53.83 2dct s LEU 36 Cb -0.14 -3.82 -0.13 0.00 0.03 0.00 0.00 46.19 42.13 2dct s LEU 36 CO -0.02 -1.13 1.10 -2.65 0.23 0.00 0.00 176.35 173.88 2dct n PRO 37 N -2.75 1.60 -0.12 1.29 -0.02 -1.26 -1.24 135.00 132.50 2dct n PRO 37 Ca 0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2dct n PRO 37 Cb 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.06 2.59 3.94 -1.23 0.00 0.73 -5.01 105.19 107.27 2dct n GLY 38 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.06 2.89 0.06 1.61 -0.21 -0.37 -4.84 119.66 118.74 2dct s GLN 39 Ca 0.00 -0.30 -0.28 0.00 0.02 0.00 0.00 55.36 54.81 2dct s GLN 39 Cb 0.00 -2.40 0.09 0.00 1.00 0.00 0.00 33.01 31.70 2dct s GLN 39 CO 0.00 -0.57 0.97 0.00 -2.12 0.00 0.00 175.29 173.57 2dct s ALA 40 N -2.81 -1.80 -0.41 6.09 0.00 -1.26 -0.46 121.76 121.11 2dct s ALA 40 Ca 0.52 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 2dct s ALA 40 Cb -0.10 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.52 2dct s ALA 40 CO 0.41 -0.87 0.30 -1.14 0.00 0.00 0.00 175.76 174.46 2dct s GLN 41 N -3.10 2.97 0.61 0.00 0.74 0.32 -4.49 119.66 116.70 2dct s GLN 41 Ca 0.09 -1.03 -0.18 0.00 0.05 0.00 0.00 55.36 54.30 2dct s GLN 41 Cb -0.01 -3.98 -0.06 0.00 1.10 0.00 0.00 33.01 30.06 2dct s GLN 41 CO -0.03 -0.76 0.68 1.63 -0.55 0.00 0.00 175.29 176.26 2dct n LYS 42 N 5.16 0.60 -1.65 1.67 5.02 -1.26 -2.87 118.16 124.82 2dct n LYS 42 Ca -0.11 0.24 -0.45 0.00 -2.02 0.00 0.00 58.31 55.96 2dct n LYS 42 Cb 0.47 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 2dct n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dct n VAL 43 N -1.83 1.12 -4.09 -0.18 0.31 -1.26 -4.69 118.33 107.70 2dct n VAL 43 Ca 0.12 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.08 2dct n VAL 43 Cb 0.48 -1.34 -0.09 0.00 -0.91 0.00 0.00 33.84 31.98 2dct n VAL 43 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2dct s HIS 44 N -0.26 0.67 -0.05 3.52 2.46 0.59 -4.91 115.29 117.32 2dct s HIS 44 Ca 0.67 -1.10 0.01 0.00 0.47 0.00 0.00 55.06 55.11 2dct s HIS 44 Cb -0.68 -0.38 0.02 0.00 -0.13 0.00 0.00 32.58 31.41 2dct s HIS 44 CO 0.52 -0.51 -0.04 0.08 -2.47 0.00 0.00 174.74 172.33 2dct s VAL 45 N -3.99 0.52 -0.38 0.89 1.01 -1.26 -0.66 120.40 116.52 2dct s VAL 45 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 2dct s VAL 45 Cb 0.07 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 35.98 2dct s VAL 45 CO -0.02 0.23 0.17 -1.00 0.00 0.00 0.00 175.10 174.47 2dct s HIS 46 N 1.00 3.46 0.51 5.22 3.76 -1.26 -4.96 115.29 123.01 2dct s HIS 46 Ca -0.10 -2.09 0.15 0.00 -0.15 0.00 0.00 55.06 52.88 2dct s HIS 46 Cb -0.14 -2.89 1.22 0.00 1.11 0.00 0.00 32.58 31.88 2dct s HIS 46 CO -0.00 -0.90 2.14 0.93 -0.85 0.00 0.00 174.74 176.05 2dct h GLU 47 N 8.11 0.07 0.00 1.40 3.07 -1.92 0.29 114.58 125.60 2dct h GLU 47 Ca -0.17 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2dct h GLU 47 Cb 1.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 2dct h GLU 47 CO 0.67 0.04 -0.16 0.41 -1.40 0.00 0.00 179.01 178.57 2dct n GLY 48 N -1.53 3.78 3.02 -3.84 0.00 -1.26 -4.08 105.19 101.27 2dct n GLY 48 Ca -0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 2dct n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dct s SER 49 N -2.43 0.83 0.10 1.61 0.01 -1.20 -4.18 113.70 108.44 2dct s SER 49 Ca 0.25 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 2dct s SER 49 Cb 0.22 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 2dct s SER 49 CO 0.01 -0.05 0.31 -1.81 0.41 0.00 0.00 173.24 172.11 2dct s ASP 50 N -0.86 6.45 -0.01 2.44 1.11 0.11 -2.82 116.67 123.10 2dct s ASP 50 Ca -0.03 0.48 0.03 0.00 0.18 0.00 0.00 52.55 53.20 2dct s ASP 50 Cb -0.06 -2.05 -0.01 0.00 1.07 0.00 0.00 42.92 41.88 2dct s ASP 50 CO 0.00 0.12 -0.08 -0.75 1.18 0.00 0.00 175.17 175.63 2dct s LYS 51 N -2.49 0.68 -0.07 8.23 2.20 0.12 -0.68 119.74 127.73 2dct s LYS 51 Ca 0.37 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.69 2dct s LYS 51 Cb -0.13 -0.66 0.02 0.00 -1.51 0.00 0.00 37.83 35.56 2dct s LYS 51 CO 0.25 0.18 -0.10 0.08 -0.36 0.00 0.00 175.35 175.39 2dct s VAL 52 N -0.22 1.02 -0.11 4.02 1.01 0.97 0.68 120.40 127.77 2dct s VAL 52 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2dct s VAL 52 Cb -0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2dct s VAL 52 CO -0.00 0.34 0.07 -0.31 0.00 0.00 0.00 175.10 175.20 2dct s TYR 53 N 0.89 3.38 -0.06 5.22 2.02 0.37 -0.82 117.35 128.34 2dct s TYR 53 Ca -0.11 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2dct s TYR 53 Cb -0.15 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 2dct s TYR 53 CO 0.01 0.56 -0.04 -0.47 -1.57 0.00 0.00 175.55 174.04 2dct s TYR 54 N -0.79 0.89 -0.53 2.71 5.04 0.40 0.24 117.35 125.31 2dct s TYR 54 Ca 0.13 -0.30 -0.27 0.00 -2.44 0.00 0.00 57.07 54.18 2dct s TYR 54 Cb -0.12 -0.83 0.03 0.00 0.35 0.00 0.00 41.96 41.40 2dct s TYR 54 CO 0.03 -0.29 1.10 0.00 -1.34 0.00 0.00 175.55 175.05 2dct s ALA 55 N 1.33 3.10 -0.06 3.97 0.00 0.01 0.23 121.76 130.35 2dct s ALA 55 Ca -0.04 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 2dct s ALA 55 Cb -0.14 -3.90 -0.30 0.00 0.00 0.00 0.00 23.12 18.79 2dct s ALA 55 CO -0.02 -2.43 0.89 -0.07 0.00 0.00 0.00 175.76 174.13 2dct h LEU 56 N 11.40 0.40 -7.89 0.00 3.38 -1.19 0.95 115.31 122.37 2dct h LEU 56 Ca -0.24 -0.95 -0.17 0.00 0.09 0.00 0.00 57.88 56.61 2dct h LEU 56 Cb 1.06 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.46 2dct h LEU 56 CO 1.13 1.32 -0.65 -1.61 0.09 0.00 0.00 178.44 178.72 2dct s GLU 57 N -2.47 0.30 2.28 1.13 2.02 -0.74 -4.68 118.70 116.55 2dct s GLU 57 Ca -0.14 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.38 2dct s GLU 57 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.35 2dct s GLU 57 CO 0.81 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.44 2dct n GLY 58 N 1.80 -0.39 3.09 -1.39 0.00 -1.26 -0.85 105.19 106.20 2dct n GLY 58 Ca -0.22 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 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 0.51 0.06 1.61 -1.05 -1.26 -2.81 118.70 115.76 2dct s GLU 59 Ca 0.00 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 2dct s GLU 59 Cb 0.00 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2dct s GLU 59 CO 0.00 -0.12 -0.05 0.14 0.95 0.00 0.00 175.26 176.18 2dct s VAL 60 N -1.94 0.42 -0.32 1.83 -7.23 -0.92 -4.61 120.40 107.63 2dct s VAL 60 Ca -0.11 -1.69 -0.19 0.00 -1.81 0.00 0.00 61.98 58.18 2dct s VAL 60 Cb -0.05 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 2dct s VAL 60 CO -0.01 -0.84 0.58 -0.69 -0.31 0.00 0.00 175.10 173.83 2dct s VAL 61 N -3.29 4.97 -0.17 1.32 1.01 0.65 -0.12 120.40 124.77 2dct s VAL 61 Ca 0.05 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 2dct s VAL 61 Cb 0.03 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2dct s VAL 61 CO -0.06 -0.15 0.13 0.54 0.00 0.00 0.00 175.10 175.56 2dct s VAL 62 N 2.52 5.41 -0.15 2.92 0.11 0.52 -0.95 120.40 130.79 2dct s VAL 62 Ca 0.23 0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 59.44 2dct s VAL 62 Cb -0.15 -3.43 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2dct s VAL 62 CO 0.12 0.50 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.73 2dct s ARG 63 N -0.11 3.57 -0.14 1.54 3.52 0.55 -0.79 118.95 127.09 2dct s ARG 63 Ca 0.10 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 55.09 2dct s ARG 63 Cb -0.11 -2.83 0.05 0.00 -1.56 0.00 0.00 34.95 30.49 2dct s ARG 63 CO 0.00 0.21 0.06 0.08 -0.81 0.00 0.00 175.30 174.84 2dct s VAL 64 N 0.42 0.13 0.00 7.11 1.01 0.38 -1.60 120.40 127.85 2dct s VAL 64 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2dct s VAL 64 Cb -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2dct s VAL 64 CO 0.04 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2dct n GLY 65 N 5.21 3.04 0.29 4.51 0.00 0.64 -1.72 105.19 117.15 2dct n GLY 65 Ca -0.07 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 13.69 1.38 -4.37 1.61 1.02 -1.26 -4.82 120.64 127.89 2dct n GLU 66 Ca 0.00 -0.57 -0.24 0.00 -0.02 0.00 0.00 57.16 56.33 2dct n GLU 66 Cb 0.00 -1.32 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 2dct n GLU 66 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dct s GLU 67 N -1.88 1.37 0.00 3.49 2.02 -0.70 -5.13 118.70 117.88 2dct s GLU 67 Ca 0.28 -1.46 0.03 0.00 0.02 0.00 0.00 54.97 53.85 2dct s GLU 67 Cb 0.14 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.82 2dct s GLU 67 CO 0.22 0.32 -0.11 -1.21 0.02 0.00 0.00 175.26 174.51 2dct s GLU 68 N -2.74 0.86 0.08 1.61 2.02 -1.26 -0.47 118.70 118.80 2dct s GLU 68 Ca 0.18 -0.44 -0.08 0.00 0.02 0.00 0.00 54.97 54.64 2dct s GLU 68 Cb -0.07 -0.83 -0.00 0.00 0.10 0.00 0.00 34.13 33.33 2dct s GLU 68 CO 0.08 0.22 0.18 0.00 0.02 0.00 0.00 175.26 175.76 2dct s ALA 69 N -0.37 -0.21 -0.27 5.21 0.00 0.03 -4.96 121.76 121.19 2dct s ALA 69 Ca 0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 2dct s ALA 69 Cb -0.05 0.44 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 2dct s ALA 69 CO -0.00 -0.48 0.83 -1.17 0.00 0.00 0.00 175.76 174.94 2dct s LEU 70 N -2.74 4.07 -0.75 0.00 2.96 -1.26 -0.35 118.68 120.61 2dct s LEU 70 Ca 0.03 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 54.64 2dct s LEU 70 Cb 0.04 -3.16 0.14 0.00 0.50 0.00 0.00 46.19 43.70 2dct s LEU 70 CO -0.10 -0.58 0.86 -0.22 -1.32 0.00 0.00 176.35 174.99 2dct s LEU 71 N 2.94 5.54 0.60 -0.68 2.96 0.83 -4.94 118.68 125.93 2dct s LEU 71 Ca 0.34 -1.86 -0.05 0.00 -0.22 0.00 0.00 54.13 52.34 2dct s LEU 71 Cb -0.15 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.25 2dct s LEU 71 CO 0.10 -1.00 0.90 0.00 -1.32 0.00 0.00 176.35 175.03 2dct s ALA 72 N 2.21 3.34 0.23 5.97 0.00 -1.26 -2.18 121.76 130.06 2dct s ALA 72 Ca 0.20 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 2dct s ALA 72 Cb -0.15 -2.55 -0.15 0.00 0.00 0.00 0.00 23.12 20.28 2dct s ALA 72 CO -0.01 -0.85 1.19 -2.30 0.00 0.00 0.00 175.76 173.79 2dct n PRO 73 N -2.59 1.47 -0.28 0.00 -0.02 -1.12 -1.18 135.00 131.28 2dct n PRO 73 Ca 0.05 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2dct n PRO 73 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.81 1.43 3.87 -1.23 0.00 0.33 -4.98 105.19 106.40 2dct n GLY 74 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.37 3.31 0.05 1.61 -1.94 -0.32 -4.91 119.30 116.74 2dct s MET 75 Ca 0.00 -0.38 0.08 0.00 -1.71 0.00 0.00 55.69 53.68 2dct s MET 75 Cb 0.00 -3.02 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 2dct s MET 75 CO 0.00 0.66 -0.23 0.00 -0.01 0.00 0.00 175.02 175.45 2dct s ALA 76 N -1.29 1.93 -0.04 3.03 0.00 -1.26 -0.81 121.76 123.32 2dct s ALA 76 Ca 0.26 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2dct s ALA 76 Cb -0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 2dct s ALA 76 CO 0.18 0.44 -0.14 0.00 0.00 0.00 0.00 175.76 176.23 2dct s ALA 77 N -0.83 1.30 -0.23 0.00 0.00 0.14 -4.96 121.76 117.18 2dct s ALA 77 Ca 0.09 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 2dct s ALA 77 Cb -0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2dct s ALA 77 CO 0.02 0.23 0.09 0.12 0.00 0.00 0.00 175.76 176.22 2dct s PHE 78 N 0.07 3.17 -0.50 0.00 5.36 -1.26 -0.48 117.98 124.34 2dct s PHE 78 Ca -0.03 -0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 55.80 2dct s PHE 78 Cb -0.10 -2.20 0.13 0.00 -0.34 0.00 0.00 43.02 40.51 2dct s PHE 78 CO 0.01 -0.12 0.29 0.00 -1.46 0.00 0.00 175.22 173.95 2dct s ALA 79 N 1.14 3.32 0.74 11.12 0.00 0.21 -4.98 121.76 133.31 2dct s ALA 79 Ca 0.05 -2.92 -0.13 0.00 0.00 0.00 0.00 51.96 48.95 2dct s ALA 79 Cb -0.14 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.59 2dct s ALA 79 CO 0.04 -1.94 1.13 -1.25 0.00 0.00 0.00 175.76 173.74 2dct s PRO 80 N 0.45 2.27 0.19 0.00 0.04 -1.26 -0.70 135.00 135.98 2dct s PRO 80 Ca 0.13 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 2dct s PRO 80 Cb -0.22 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.28 2dct s PRO 80 CO -0.04 -1.67 1.01 0.00 0.04 0.00 0.00 177.00 176.34 2dct n ALA 81 N -2.99 -1.27 0.00 8.56 0.00 -1.13 -1.43 120.51 122.26 2dct n ALA 81 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2dct n ALA 81 Cb 0.52 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.80 2.98 3.69 0.00 0.00 0.10 -4.94 105.19 108.82 2dct n GLY 82 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 3.44 0.37 4.61 0.00 -0.51 -4.82 121.76 122.79 2dct s ALA 83 Ca 0.00 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 2dct s ALA 83 Cb 0.00 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 2dct s ALA 83 CO 0.00 -0.64 1.33 -1.25 0.00 0.00 0.00 175.76 175.19 2dct s PRO 84 N 1.89 4.17 0.07 0.00 0.04 -1.26 -4.58 135.00 135.33 2dct s PRO 84 Ca 0.55 2.24 -0.15 0.00 0.04 0.00 0.00 61.00 63.68 2dct s PRO 84 Cb -0.24 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.39 2dct s PRO 84 CO 0.23 -0.35 0.35 -3.38 0.04 0.00 0.00 177.00 173.89 2dct s HIS 85 N -1.19 -0.15 0.08 0.56 -3.43 0.17 -0.26 115.29 111.08 2dct s HIS 85 Ca 0.52 -0.04 -0.27 0.00 -0.80 0.00 0.00 55.06 54.48 2dct s HIS 85 Cb -0.40 0.15 0.09 0.00 -1.43 0.00 0.00 32.58 30.99 2dct s HIS 85 CO 0.53 -0.58 1.12 0.20 -2.00 0.00 0.00 174.74 174.01 2dct s GLY 86 N -2.32 -0.25 -0.01 -1.38 0.00 -0.63 -0.30 107.32 102.44 2dct s GLY 86 Ca -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.96 2dct s GLY 86 CO -0.06 0.73 0.03 -1.34 0.00 0.00 0.00 173.10 172.46 2dct s VAL 87 N -2.72 0.00 -0.05 1.40 -7.23 -1.14 -0.33 120.40 110.33 2dct s VAL 87 Ca 0.15 -0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.32 2dct s VAL 87 Cb 0.01 -0.07 0.01 0.00 0.56 0.00 0.00 36.38 36.89 2dct s VAL 87 CO 0.00 -0.01 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.55 2dct s ARG 88 N -0.02 1.31 -0.69 4.82 0.52 -0.12 -0.52 118.95 124.24 2dct s ARG 88 Ca -0.00 -0.34 -0.21 0.00 -0.52 0.00 0.00 55.73 54.66 2dct s ARG 88 Cb -0.00 -1.15 0.10 0.00 0.52 0.00 0.00 34.95 34.41 2dct s ARG 88 CO 0.00 0.06 0.91 1.21 0.02 0.00 0.00 175.30 177.50 2dct s ASN 89 N 0.50 6.28 0.00 0.23 3.84 0.39 -0.25 114.94 125.93 2dct s ASN 89 Ca -0.09 -1.37 0.21 0.00 0.21 0.00 0.00 52.86 51.82 2dct s ASN 89 Cb -0.13 -2.37 0.53 0.00 -0.55 0.00 0.00 41.25 38.72 2dct s ASN 89 CO 0.02 -1.25 1.45 -0.62 -2.79 0.00 0.00 177.10 173.90 2dct n GLU 90 N 6.98 2.35 -2.41 0.43 1.02 -1.26 -0.20 120.64 127.55 2dct n GLU 90 Ca 0.00 -2.06 -0.25 0.00 -0.02 0.00 0.00 57.16 54.84 2dct n GLU 90 Cb 0.45 -1.48 0.11 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.32 4.33 0.00 1.62 1.04 -1.26 -4.90 113.70 113.20 2dct s SER 91 Ca 0.39 -0.07 0.22 0.00 0.48 0.00 0.00 55.95 56.96 2dct s SER 91 Cb 0.21 -0.36 0.52 0.00 0.10 0.00 0.00 66.02 66.50 2dct s SER 91 CO 0.29 -1.88 1.44 0.00 0.98 0.00 0.00 173.24 174.08 2dct n ALA 92 N -2.95 2.45 -2.44 5.32 0.00 -1.26 -4.33 120.51 117.30 2dct n ALA 92 Ca 0.13 -0.85 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 2dct n ALA 92 Cb 0.60 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.48 3.27 0.84 0.00 0.01 -1.26 -4.83 113.70 110.25 2dct s SER 93 Ca 0.37 -0.99 -0.11 0.00 1.31 0.00 0.00 55.95 56.53 2dct s SER 93 Cb 0.21 -0.25 0.10 0.00 0.21 0.00 0.00 66.02 66.29 2dct s SER 93 CO 0.30 -0.00 1.10 -2.84 0.41 0.00 0.00 173.24 172.21 2dct s PRO 94 N -3.38 1.71 0.03 12.44 0.02 -1.26 -4.23 135.00 140.33 2dct s PRO 94 Ca 0.26 1.22 0.03 0.00 0.02 0.00 0.00 61.00 62.53 2dct s PRO 94 Cb -0.04 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 2dct s PRO 94 CO 0.12 -2.04 -0.10 0.00 -0.33 0.00 0.00 177.00 174.65 2dct s ALA 95 N -2.83 0.77 -0.08 -1.55 0.00 0.62 -4.23 121.76 114.46 2dct s ALA 95 Ca 0.63 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 2dct s ALA 95 Cb -0.19 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2dct s ALA 95 CO 0.57 0.11 -0.05 -1.17 0.00 0.00 0.00 175.76 175.23 2dct s LEU 96 N -0.97 1.02 0.06 0.00 2.96 -0.03 -0.53 118.68 121.19 2dct s LEU 96 Ca -0.02 -0.20 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 2dct s LEU 96 Cb -0.07 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 2dct s LEU 96 CO 0.01 -0.13 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.92 2dct s LEU 97 N 1.61 2.39 -0.32 -0.68 1.43 -0.01 -0.60 118.68 122.50 2dct s LEU 97 Ca 0.01 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 2dct s LEU 97 Cb -0.13 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2dct s LEU 97 CO -0.05 0.24 0.25 -0.22 0.23 0.00 0.00 176.35 176.80 2dct s LEU 98 N -1.50 4.35 -0.17 1.79 2.96 0.14 -0.58 118.68 125.67 2dct s LEU 98 Ca 0.14 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2dct s LEU 98 Cb -0.10 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.42 2dct s LEU 98 CO 0.04 -0.20 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.98 2dct s VAL 99 N 1.80 2.02 -0.14 1.68 1.01 0.23 -0.45 120.40 126.55 2dct s VAL 99 Ca 0.08 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2dct s VAL 99 Cb -0.17 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2dct s VAL 99 CO 0.11 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 174.98 2dct s VAL 100 N 1.19 3.62 -0.09 2.92 1.01 0.00 -0.37 120.40 128.68 2dct s VAL 100 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2dct s VAL 100 Cb -0.14 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2dct s VAL 100 CO -0.10 0.51 -0.12 -0.89 0.00 0.00 0.00 175.10 174.50 2dct s THR 101 N 0.29 1.19 -0.05 3.92 2.01 -0.10 -0.02 115.64 122.88 2dct s THR 101 Ca -0.06 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2dct s THR 101 Cb -0.15 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.27 2dct s THR 101 CO 0.04 0.38 0.10 0.00 -0.69 0.00 0.00 174.62 174.45 2dct s ALA 102 N 1.06 -0.15 1.02 7.40 0.00 0.14 0.29 121.76 131.52 2dct s ALA 102 Ca -0.07 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 2dct s ALA 102 Cb -0.15 -0.35 0.15 0.00 0.00 0.00 0.00 23.12 22.78 2dct s ALA 102 CO -0.01 -0.13 0.83 -0.35 0.00 0.00 0.00 175.76 176.11 2dct n PRO 103 N 4.04 -1.07 -1.89 0.00 -0.04 -1.26 0.06 135.00 134.84 2dct n PRO 103 Ca -0.25 -1.29 -0.42 0.00 -0.04 0.00 0.00 63.50 61.50 2dct n PRO 103 Cb 0.52 -0.91 -0.03 0.00 -0.04 0.00 0.00 33.50 33.05 2dct n PRO 103 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dct s ARG 104 N -4.83 4.20 0.00 0.54 0.52 -1.25 -4.74 118.95 113.39 2dct s ARG 104 Ca 0.48 2.42 0.20 0.00 -0.52 0.00 0.00 55.73 58.32 2dct s ARG 104 Cb -0.02 -3.11 1.22 0.00 0.52 0.00 0.00 34.95 33.56 2dct s ARG 104 CO 0.34 -0.60 1.60 -0.35 0.02 0.00 0.00 175.30 176.32