#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djm s ILE 7 N 0.00 4.95 -0.15 3.57 1.01 -1.26 -2.59 121.20 126.73 3djm s ILE 7 Ca 0.00 1.32 -0.05 0.00 0.00 0.00 0.00 60.65 61.92 3djm s ILE 7 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3djm s ILE 7 CO 0.00 0.04 0.03 -0.13 0.00 0.00 0.00 174.94 174.88 3djm s ARG 8 N 2.31 3.60 -0.18 2.79 3.00 0.47 -4.97 118.95 125.98 3djm s ARG 8 Ca 0.31 -0.38 -0.02 0.00 0.00 0.00 0.00 55.73 55.64 3djm s ARG 8 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 34.95 31.75 3djm s ARG 8 CO 0.09 0.42 -0.10 -0.51 0.00 0.00 0.00 175.30 175.21 3djm s LEU 9 N -0.08 2.74 0.15 2.53 1.43 -1.26 -1.14 118.68 123.06 3djm s LEU 9 Ca 0.05 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3djm s LEU 9 Cb -0.12 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3djm s LEU 9 CO 0.02 0.07 -0.13 -0.13 0.23 0.00 0.00 176.35 176.40 3djm s ARG 10 N 0.94 1.13 -0.04 1.70 0.52 -0.38 -4.97 118.95 117.86 3djm s ARG 10 Ca -0.02 -1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 53.50 3djm s ARG 10 Cb -0.15 -0.92 -0.04 0.00 0.52 0.00 0.00 34.95 34.36 3djm s ARG 10 CO -0.00 0.16 1.27 0.21 0.02 0.00 0.00 175.30 176.95 3djm s LYS 11 N -3.21 4.33 -0.13 3.54 2.20 -1.26 -0.07 119.74 125.14 3djm s LYS 11 Ca 0.15 1.77 -0.29 0.00 -0.36 0.00 0.00 55.97 57.24 3djm s LYS 11 Cb -0.02 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3djm s LYS 11 CO 0.04 -0.49 1.37 0.00 -0.36 0.00 0.00 175.35 175.91 3djm s ALA 12 N 2.27 3.65 0.28 3.13 0.00 0.28 -4.80 121.76 126.57 3djm s ALA 12 Ca 0.59 0.60 -0.28 0.00 0.00 0.00 0.00 51.96 52.86 3djm s ALA 12 Cb -0.27 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.10 3djm s ALA 12 CO 0.24 -1.22 0.97 -1.83 0.00 0.00 0.00 175.76 173.92 3djm s GLU 13 N 3.59 4.70 1.60 0.00 -1.05 -1.26 -4.48 118.70 121.79 3djm s GLU 13 Ca 0.60 1.48 0.00 0.00 -0.15 0.00 0.00 54.97 56.90 3djm s GLU 13 Cb -0.25 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 3djm s GLU 13 CO 0.19 0.36 0.00 0.41 0.95 0.00 0.00 175.26 177.17 3djm n GLY 14 N 1.07 -1.59 3.68 -3.83 0.00 -1.26 -4.82 105.19 98.45 3djm n GLY 14 Ca -0.00 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 3djm n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djm s LYS 15 N 0.00 4.19 -0.04 1.61 2.20 -1.26 -4.44 119.74 121.99 3djm s LYS 15 Ca 0.00 0.14 0.05 0.00 -0.36 0.00 0.00 55.97 55.79 3djm s LYS 15 Cb 0.00 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3djm s LYS 15 CO 0.00 0.04 -0.17 -1.58 -0.36 0.00 0.00 175.35 173.29 3djm s TRP 16 N 1.06 2.63 0.03 4.03 0.52 -0.12 -0.38 118.94 126.70 3djm s TRP 16 Ca 0.17 -0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.15 3djm s TRP 16 Cb -0.14 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 3djm s TRP 16 CO 0.07 0.14 -0.21 0.08 0.02 0.00 0.00 176.95 177.05 3djm s VAL 17 N -0.71 1.71 -0.09 4.03 1.01 -0.09 -0.89 120.40 125.37 3djm s VAL 17 Ca 0.11 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3djm s VAL 17 Cb -0.10 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3djm s VAL 17 CO 0.00 0.27 -0.21 -0.51 0.00 0.00 0.00 175.10 174.65 3djm s ILE 18 N -0.74 1.83 0.23 2.22 1.10 0.24 -1.78 121.20 124.31 3djm s ILE 18 Ca 0.08 -0.89 -0.10 0.00 -0.51 0.00 0.00 60.65 59.22 3djm s ILE 18 Cb -0.09 -1.59 -0.01 0.00 0.15 0.00 0.00 42.46 40.92 3djm s ILE 18 CO 0.01 0.51 0.40 0.00 -2.11 0.00 0.00 174.94 173.75 3djm s ARG 19 N 0.36 1.46 0.00 3.50 1.70 -0.33 -0.77 118.95 124.87 3djm s ARG 19 Ca -0.16 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 53.78 3djm s ARG 19 Cb -0.17 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 3djm s ARG 19 CO 0.07 -0.58 0.00 0.25 -1.08 0.00 0.00 175.30 173.96 3djm n THR 20 N -0.35 0.00 0.99 4.99 -2.24 -0.35 -0.71 114.28 116.60 3djm n THR 20 Ca -0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 3djm n THR 20 Cb 0.63 -0.54 0.54 0.00 -2.10 0.00 0.00 70.33 68.86 3djm n THR 20 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3djm n ASP 21 N -2.08 0.00 0.00 3.42 5.75 -1.26 -4.06 116.55 118.32 3djm n ASP 21 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 3djm n ASP 21 Cb 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3djm n ASP 21 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3djm n SER 22 N -1.34 0.09 -3.61 -1.12 3.41 -1.26 -5.11 113.62 104.67 3djm n SER 22 Ca 0.09 -0.88 -0.13 0.00 -0.26 0.00 0.00 58.87 57.69 3djm n SER 22 Cb 0.20 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 3djm n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djm s ALA 23 N -0.01 -1.16 -0.28 7.33 0.00 -1.26 -5.01 121.76 121.38 3djm s ALA 23 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 3djm s ALA 23 Cb 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 3djm s ALA 23 CO 0.00 -0.51 0.17 0.08 0.00 0.00 0.00 175.76 175.50 3djm s VAL 24 N -2.67 5.12 -0.29 0.00 1.01 -1.26 -1.21 120.40 121.09 3djm s VAL 24 Ca -0.04 0.07 0.22 0.00 0.00 0.00 0.00 61.98 62.23 3djm s VAL 24 Cb -0.00 -3.45 -0.20 0.00 0.00 0.00 0.00 36.38 32.72 3djm s VAL 24 CO -0.04 0.24 0.77 0.18 0.00 0.00 0.00 175.10 176.25 3djm n LEU 25 N 5.04 0.42 -3.62 3.92 4.77 0.05 -4.92 117.00 122.66 3djm n LEU 25 Ca -0.14 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.78 3djm n LEU 25 Cb 0.52 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3djm n LEU 25 CO 0.33 -0.01 0.84 -0.83 -1.33 0.00 0.00 177.39 176.39 3djm s GLY 26 N -4.15 -0.08 -0.03 -0.72 0.00 -0.74 -0.44 107.32 101.15 3djm s GLY 26 Ca -0.02 2.67 0.02 0.00 0.00 0.00 0.00 44.72 47.39 3djm s GLY 26 CO 0.85 1.62 -0.09 -0.54 0.00 0.00 0.00 173.10 174.94 3djm s GLU 27 N -0.20 1.07 -0.03 2.90 2.02 -1.19 -0.59 118.70 122.68 3djm s GLU 27 Ca 0.03 -0.32 -0.15 0.00 0.02 0.00 0.00 54.97 54.55 3djm s GLU 27 Cb -0.04 -0.98 0.03 0.00 0.10 0.00 0.00 34.13 33.24 3djm s GLU 27 CO -0.06 0.10 0.33 -0.08 0.02 0.00 0.00 175.26 175.57 3djm s THR 28 N 0.29 0.05 -2.84 3.63 -1.32 -0.07 -4.81 115.64 110.57 3djm s THR 28 Ca -0.05 -0.40 0.24 0.00 -1.21 0.00 0.00 61.69 60.27 3djm s THR 28 Cb -0.10 -0.62 0.26 0.00 -1.51 0.00 0.00 72.50 70.54 3djm s THR 28 CO 0.01 -0.22 1.30 0.18 -2.21 0.00 0.00 174.62 173.68 3djm n LEU 29 N 1.45 3.15 -2.12 9.08 4.77 -1.26 -0.95 117.00 131.12 3djm n LEU 29 Ca -0.20 -1.16 -0.08 0.00 -0.03 0.00 0.00 56.01 54.54 3djm n LEU 29 Cb 0.56 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 3djm n LEU 29 CO 0.21 0.58 0.11 0.59 -1.33 0.00 0.00 177.39 177.55 3djm n ASN 30 N 1.40 2.79 -4.76 -1.43 4.13 -1.26 -4.77 115.26 111.36 3djm n ASN 30 Ca 0.16 -2.89 -0.37 0.00 1.68 0.00 0.00 54.58 53.16 3djm n ASN 30 Cb 0.60 -0.41 0.01 0.00 -1.54 0.00 0.00 39.78 38.44 3djm n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djm s ALA 31 N -3.22 2.82 -0.10 5.41 0.00 -1.26 -4.58 121.76 120.82 3djm s ALA 31 Ca 0.38 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.36 3djm s ALA 31 Cb 0.37 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 3djm s ALA 31 CO -0.03 -0.89 -0.17 0.42 0.00 0.00 0.00 175.76 175.09 3djm s ILE 32 N -1.55 2.73 -0.22 0.00 1.01 -0.39 -0.56 121.20 122.22 3djm s ILE 32 Ca 0.69 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 3djm s ILE 32 Cb -0.30 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3djm s ILE 32 CO 0.35 0.55 0.30 -0.70 0.00 0.00 0.00 174.94 175.44 3djm s GLU 33 N 0.13 4.12 -0.21 2.79 2.12 0.90 -0.37 118.70 128.19 3djm s GLU 33 Ca -0.09 -0.00 -0.03 0.00 0.36 0.00 0.00 54.97 55.21 3djm s GLU 33 Cb -0.15 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 3djm s GLU 33 CO 0.05 -0.02 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.52 3djm s LEU 34 N 1.28 2.83 -0.15 2.70 0.20 -0.23 -1.26 118.68 124.04 3djm s LEU 34 Ca 0.14 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.57 3djm s LEU 34 Cb -0.14 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 43.91 3djm s LEU 34 CO 0.07 0.00 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.06 3djm s THR 35 N 1.34 2.40 -0.25 3.68 2.01 -0.29 -0.80 115.64 123.74 3djm s THR 35 Ca 0.04 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 3djm s THR 35 Cb -0.14 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.39 3djm s THR 35 CO -0.03 0.53 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.67 3djm s GLU 36 N 0.88 2.85 7.68 4.92 2.12 -1.26 -0.39 118.70 135.49 3djm s GLU 36 Ca -0.05 -0.97 0.00 0.00 0.36 0.00 0.00 54.97 54.31 3djm s GLU 36 Cb -0.15 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3djm s GLU 36 CO -0.02 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 3djm n GLY 37 N 4.68 3.42 1.38 -1.50 0.00 -1.07 -1.54 105.19 110.57 3djm n GLY 37 Ca -0.16 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.78 3djm n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3djm n SER 38 N 4.59 4.63 -4.77 1.61 3.41 -1.26 -5.00 113.62 116.83 3djm n SER 38 Ca 0.00 -2.72 -0.31 0.00 -0.26 0.00 0.00 58.87 55.58 3djm n SER 38 Cb 0.00 -0.57 0.09 0.00 -0.26 0.00 0.00 64.21 63.47 3djm n SER 38 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3djm s ARG 39 N -2.33 2.30 0.42 4.33 0.52 -0.59 -4.97 118.95 118.63 3djm s ARG 39 Ca 0.47 1.17 -0.26 0.00 -0.52 0.00 0.00 55.73 56.59 3djm s ARG 39 Cb 0.34 -1.90 -0.10 0.00 0.52 0.00 0.00 34.95 33.81 3djm s ARG 39 CO 0.17 -1.61 1.36 -0.25 0.02 0.00 0.00 175.30 174.98 3djm n ASP 40 N -3.47 2.99 -4.76 0.23 9.92 -1.26 -4.50 116.55 115.70 3djm n ASP 40 Ca 0.09 1.14 -0.36 0.00 -0.53 0.00 0.00 54.79 55.13 3djm n ASP 40 Cb 0.53 -1.55 0.03 0.00 -0.64 0.00 0.00 41.12 39.49 3djm n ASP 40 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3djm s PRO 41 N -2.25 3.08 -0.08 -0.24 0.04 -1.26 -4.69 135.00 129.59 3djm s PRO 41 Ca 0.60 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.48 3djm s PRO 41 Cb -0.49 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3djm s PRO 41 CO 0.59 -1.12 -0.20 0.08 0.04 0.00 0.00 177.00 176.39 3djm s VAL 42 N -1.61 2.45 -0.15 -0.36 1.01 0.02 -4.95 120.40 116.80 3djm s VAL 42 Ca 0.76 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 3djm s VAL 42 Cb -0.30 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3djm s VAL 42 CO 0.32 0.56 0.41 -0.63 0.00 0.00 0.00 175.10 175.76 3djm s ILE 43 N -0.04 5.22 -0.19 2.22 -1.09 -1.26 -1.07 121.20 124.98 3djm s ILE 43 Ca -0.06 0.78 -0.05 0.00 -2.23 0.00 0.00 60.65 59.09 3djm s ILE 43 Cb -0.15 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 3djm s ILE 43 CO 0.05 0.32 0.01 -0.31 -1.23 0.00 0.00 174.94 173.77 3djm s TYR 44 N 0.79 3.06 -0.16 3.97 1.51 0.50 -4.39 117.35 122.63 3djm s TYR 44 Ca 0.21 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.83 3djm s TYR 44 Cb -0.14 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 3djm s TYR 44 CO 0.08 -0.17 0.11 -0.06 -1.11 0.00 0.00 175.55 174.40 3djm s PHE 45 N 0.87 3.43 0.35 2.71 0.40 0.14 -1.26 117.98 124.62 3djm s PHE 45 Ca 0.01 0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 56.40 3djm s PHE 45 Cb -0.14 -2.05 -0.11 0.00 0.51 0.00 0.00 43.02 41.23 3djm s PHE 45 CO 0.02 0.43 1.40 -1.25 0.70 0.00 0.00 175.22 176.52 3djm s PRO 46 N -0.17 4.24 0.25 0.24 0.04 -1.26 -0.47 135.00 137.86 3djm s PRO 46 Ca 0.10 2.39 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 3djm s PRO 46 Cb -0.12 -3.03 0.34 0.00 0.04 0.00 0.00 34.50 31.73 3djm s PRO 46 CO 0.01 -0.36 1.88 -0.09 0.04 0.00 0.00 177.00 178.48 3djm h ARG 47 N 3.35 1.12 0.00 4.56 2.43 -1.93 -1.10 114.38 122.80 3djm h ARG 47 Ca -0.50 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3djm h ARG 47 Cb 1.23 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3djm h ARG 47 CO 0.66 0.74 0.00 1.05 -1.51 0.00 0.00 179.97 180.91 3djm h GLU 48 N 1.15 0.00 -0.20 0.20 4.11 -1.93 -0.95 114.58 116.95 3djm h GLU 48 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 3djm h GLU 48 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3djm h GLU 48 CO -0.14 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.69 3djm n ASP 49 N -2.44 3.03 -4.61 3.06 8.00 -0.42 -4.95 116.55 118.22 3djm n ASP 49 Ca -0.01 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.24 3djm n ASP 49 Cb 0.06 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 3djm n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3djm s VAL 50 N -1.54 3.83 0.45 2.53 1.01 -0.36 -3.19 120.40 123.13 3djm s VAL 50 Ca 0.30 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3djm s VAL 50 Cb 0.19 -2.62 -0.10 0.00 0.00 0.00 0.00 36.38 33.85 3djm s VAL 50 CO 0.27 0.51 0.98 0.00 0.00 0.00 0.00 175.10 176.87 3djm s ALA 51 N -0.91 2.98 -1.50 5.51 0.00 0.42 -4.99 121.76 123.26 3djm s ALA 51 Ca 0.15 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 3djm s ALA 51 Cb -0.11 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3djm s ALA 51 CO 0.04 -0.04 1.02 1.55 0.00 0.00 0.00 175.76 178.33 3djm n VAL 53 N -0.78 -2.17 -1.38 0.00 3.14 -1.26 -5.07 118.33 110.80 3djm n VAL 53 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 3djm n VAL 53 Cb 0.53 -3.05 0.00 0.00 -1.06 0.00 0.00 33.84 30.27 3djm n VAL 53 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3djm n PHE 55 N -4.75 -2.02 -4.48 1.45 3.01 -1.26 -5.03 117.46 104.38 3djm n PHE 55 Ca 0.04 1.07 -0.31 0.00 1.01 0.00 0.00 57.45 59.26 3djm n PHE 55 Cb 0.53 -1.86 -0.16 0.00 -0.01 0.00 0.00 39.48 37.98 3djm n PHE 55 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3djm s ASP 56 N -2.90 2.86 0.27 4.37 1.01 0.22 -4.95 116.67 117.55 3djm s ASP 56 Ca 0.00 -0.54 -0.30 0.00 0.71 0.00 0.00 52.55 52.42 3djm s ASP 56 Cb 0.00 -1.31 -0.11 0.00 1.01 0.00 0.00 42.92 42.51 3djm s ASP 56 CO 0.00 0.04 1.57 -0.75 0.21 0.00 0.00 175.17 176.23 3djm s LYS 57 N 0.98 4.16 0.28 8.23 2.20 -1.26 -0.49 119.74 133.85 3djm s LYS 57 Ca -0.04 2.51 0.05 0.00 -0.36 0.00 0.00 55.97 58.13 3djm s LYS 57 Cb -0.15 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 3djm s LYS 57 CO -0.04 -0.59 0.41 0.45 -0.36 0.00 0.00 175.35 175.22 3djm s SER 58 N 0.53 6.19 0.40 1.43 0.15 0.04 -4.85 113.70 117.59 3djm s SER 58 Ca 0.63 0.01 0.17 0.00 0.70 0.00 0.00 55.95 57.46 3djm s SER 58 Cb -0.46 -1.65 0.86 0.00 -1.71 0.00 0.00 66.02 63.05 3djm s SER 58 CO 0.45 -0.22 1.85 1.05 1.20 0.00 0.00 173.24 177.57 3djm h GLU 59 N 1.04 0.00 -6.78 5.44 9.09 -1.94 -3.43 114.58 118.00 3djm h GLU 59 Ca -0.50 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.39 3djm h GLU 59 Cb 1.24 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 28.41 3djm h GLU 59 CO 0.58 0.32 0.82 0.21 0.05 0.00 0.00 179.01 180.99 3djm s LYS 60 N -4.03 4.20 0.07 1.06 2.20 -1.26 -5.00 119.74 116.98 3djm s LYS 60 Ca -0.02 2.43 0.02 0.00 -0.36 0.00 0.00 55.97 58.04 3djm s LYS 60 Cb 0.13 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3djm s LYS 60 CO 0.69 -0.52 -0.07 0.14 -0.36 0.00 0.00 175.35 175.23 3djm s VAL 61 N -0.07 0.64 0.02 4.02 -7.23 -1.26 -3.20 120.40 113.32 3djm s VAL 61 Ca 0.61 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 3djm s VAL 61 Cb -0.45 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 3djm s VAL 61 CO 0.46 -0.64 -0.06 0.42 -0.31 0.00 0.00 175.10 174.97 3djm s THR 62 N -2.59 0.43 -0.16 5.32 -4.23 -0.99 -4.98 115.64 108.44 3djm s THR 62 Ca 0.02 -0.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.85 3djm s THR 62 Cb -0.02 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.34 3djm s THR 62 CO -0.02 -0.12 0.13 0.00 -0.54 0.00 0.00 174.62 174.07 3djm s ALA 63 N -0.69 3.76 -0.10 3.99 0.00 -1.26 -0.42 121.76 127.04 3djm s ALA 63 Ca -0.04 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3djm s ALA 63 Cb -0.06 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.00 3djm s ALA 63 CO 0.00 0.36 -0.21 0.00 0.00 0.00 0.00 175.76 175.92 3djm h PRO 65 N 6.92 0.00 0.03 0.00 0.11 -1.98 0.11 132.00 137.19 3djm h PRO 65 Ca -0.24 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.70 3djm h PRO 65 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3djm h PRO 65 CO 0.48 0.18 -0.89 -0.07 -0.21 0.00 0.00 178.00 177.49 3djm h LEU 66 N 0.00 0.11 0.07 2.35 3.38 -2.02 -3.42 115.31 115.78 3djm h LEU 66 Ca -0.00 -0.76 -0.34 0.00 0.09 0.00 0.00 57.88 56.87 3djm h LEU 66 Cb 0.31 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3djm h LEU 66 CO 0.02 1.37 -1.92 0.29 0.09 0.00 0.00 178.44 178.29 3djm n LYS 67 N -4.35 0.70 0.00 1.13 5.02 -1.23 -4.52 118.16 114.92 3djm n LYS 67 Ca -0.23 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3djm n LYS 67 Cb 0.68 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3djm n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3djm n GLY 68 N 1.83 0.18 3.65 0.72 0.00 0.03 -0.69 105.19 110.91 3djm n GLY 68 Ca -0.27 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.30 3djm n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3djm s GLU 69 N 0.00 4.14 -0.24 1.61 2.12 -1.26 -0.62 118.70 124.45 3djm s GLU 69 Ca 0.00 0.32 -0.22 0.00 0.36 0.00 0.00 54.97 55.43 3djm s GLU 69 Cb 0.00 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3djm s GLU 69 CO 0.00 -0.19 0.71 0.00 -0.54 0.00 0.00 175.26 175.24 3djm s ALA 70 N 1.78 3.61 0.16 6.30 0.00 0.44 -4.13 121.76 129.92 3djm s ALA 70 Ca 0.22 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.72 3djm s ALA 70 Cb -0.15 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 3djm s ALA 70 CO 0.09 -0.81 0.61 -1.12 0.00 0.00 0.00 175.76 174.53 3djm s SER 71 N 1.37 6.95 0.18 0.00 0.01 0.50 -2.33 113.70 120.39 3djm s SER 71 Ca 0.30 1.23 0.08 0.00 1.31 0.00 0.00 55.95 58.86 3djm s SER 71 Cb -0.15 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3djm s SER 71 CO 0.08 0.12 -0.01 -0.31 0.41 0.00 0.00 173.24 173.53 3djm s TYR 72 N -1.41 2.81 0.00 2.43 1.51 -1.19 -0.73 117.35 120.77 3djm s TYR 72 Ca 0.38 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 3djm s TYR 72 Cb -0.17 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 3djm s TYR 72 CO 0.20 0.53 -0.05 0.71 -1.11 0.00 0.00 175.55 175.82 3djm s TYR 73 N -1.79 0.44 0.02 2.71 1.51 0.29 -0.78 117.35 119.76 3djm s TYR 73 Ca 0.28 -0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.17 3djm s TYR 73 Cb -0.09 -0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 41.43 3djm s TYR 73 CO 0.18 -0.02 0.25 -1.12 -1.11 0.00 0.00 175.55 173.73 3djm s SER 74 N -0.26 6.44 -0.14 2.29 0.01 0.36 -1.80 113.70 120.59 3djm s SER 74 Ca 0.01 0.47 -0.01 0.00 1.31 0.00 0.00 55.95 57.72 3djm s SER 74 Cb -0.03 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 3djm s SER 74 CO -0.00 0.23 -0.10 -0.63 0.41 0.00 0.00 173.24 173.15 3djm s ILE 75 N -1.36 3.24 -0.14 1.44 1.01 -0.48 -0.61 121.20 124.31 3djm s ILE 75 Ca 0.29 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 3djm s ILE 75 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 3djm s ILE 75 CO 0.19 0.51 0.12 -0.69 0.00 0.00 0.00 174.94 175.06 3djm s VAL 76 N 0.48 5.30 0.00 2.92 1.01 -1.26 0.23 120.40 129.08 3djm s VAL 76 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3djm s VAL 76 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3djm s VAL 76 CO 0.04 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3djm n GLY 77 N 2.43 3.23 0.37 4.51 0.00 -0.48 -4.93 105.19 110.32 3djm n GLY 77 Ca -0.19 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.54 3djm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djm h ALA 78 N 1.44 1.55 -0.00 4.61 0.00 -1.98 -2.49 119.26 122.39 3djm h ALA 78 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3djm h ALA 78 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3djm h ALA 78 CO 0.00 0.27 -0.41 0.43 0.00 0.00 0.00 179.25 179.54 3djm n SER 79 N -4.54 0.44 0.00 0.00 7.64 -1.26 -5.05 113.62 110.86 3djm n SER 79 Ca 0.16 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3djm n SER 79 Cb 0.28 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3djm n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djm n GLY 80 N 1.49 0.74 3.77 0.23 0.00 -0.94 -5.06 105.19 105.42 3djm n GLY 80 Ca 0.06 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 3djm n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djm s THR 81 N -1.42 4.97 -0.56 2.61 2.01 -1.26 -1.39 115.64 120.60 3djm s THR 81 Ca 0.00 1.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.96 3djm s THR 81 Cb 0.00 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.74 3djm s THR 81 CO 0.00 0.43 0.62 -0.76 -0.69 0.00 0.00 174.62 174.22 3djm s LEU 82 N -0.22 5.63 0.06 4.42 1.43 0.14 -4.95 118.68 125.19 3djm s LEU 82 Ca 0.29 -1.51 -0.31 0.00 -1.03 0.00 0.00 54.13 51.57 3djm s LEU 82 Cb -0.17 -2.28 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 3djm s LEU 82 CO 0.15 -0.99 1.39 -0.75 0.23 0.00 0.00 176.35 176.38 3djm s LYS 83 N 2.28 4.31 -1.47 1.70 2.47 -1.26 -1.38 119.74 126.39 3djm s LYS 83 Ca 0.09 2.01 -0.12 0.00 -1.56 0.00 0.00 55.97 56.38 3djm s LYS 83 Cb -0.26 -3.42 0.08 0.00 -1.46 0.00 0.00 37.83 32.77 3djm s LYS 83 CO 0.06 -0.49 0.76 -0.25 0.16 0.00 0.00 175.35 175.58 3djm n ASP 84 N 4.66 -4.43 0.01 1.43 8.00 -1.23 -4.85 116.55 120.13 3djm n ASP 84 Ca 0.12 -0.62 0.13 0.00 0.71 0.00 0.00 54.79 55.13 3djm n ASP 84 Cb 0.43 -3.59 0.43 0.00 -0.02 0.00 0.00 41.12 38.38 3djm n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3djm n ALA 85 N -4.14 2.81 -2.34 2.24 0.00 -0.75 -4.79 120.51 113.54 3djm n ALA 85 Ca 0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3djm n ALA 85 Cb 0.54 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 3djm n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3djm s ALA 86 N -3.02 0.90 0.14 0.00 0.00 -0.93 -0.37 121.76 118.47 3djm s ALA 86 Ca 0.12 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 3djm s ALA 86 Cb 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3djm s ALA 86 CO 0.61 -0.18 0.25 1.67 0.00 0.00 0.00 175.76 178.11 3djm s TRP 87 N -3.08 0.30 -0.16 0.00 -2.14 -0.47 -0.55 118.94 112.85 3djm s TRP 87 Ca 0.07 -0.68 -0.13 0.00 2.66 0.00 0.00 56.10 58.01 3djm s TRP 87 Cb 0.02 -0.05 0.04 0.00 -3.10 0.00 0.00 33.47 30.38 3djm s TRP 87 CO -0.03 -0.65 0.41 0.45 -2.66 0.00 0.00 176.95 174.46 3djm s SER 88 N -2.93 -0.44 -0.78 -2.66 0.15 0.09 -1.18 113.70 105.95 3djm s SER 88 Ca 0.12 0.83 -0.20 0.00 0.70 0.00 0.00 55.95 57.41 3djm s SER 88 Cb 0.04 0.81 0.11 0.00 -1.71 0.00 0.00 66.02 65.28 3djm s SER 88 CO -0.04 -0.15 0.98 -0.31 1.20 0.00 0.00 173.24 174.91 3djm s TYR 89 N 0.47 3.01 -0.33 3.44 2.02 -1.26 -0.37 117.35 124.33 3djm s TYR 89 Ca -0.02 -1.11 0.20 0.00 -0.37 0.00 0.00 57.07 55.77 3djm s TYR 89 Cb -0.04 -4.21 0.23 0.00 -0.40 0.00 0.00 41.96 37.54 3djm s TYR 89 CO -0.02 -1.47 1.54 0.93 -1.57 0.00 0.00 175.55 174.95 3djm h GLU 90 N 9.05 0.00 -2.29 -0.62 5.08 -1.89 -1.67 114.58 122.24 3djm h GLU 90 Ca -0.06 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.72 3djm h GLU 90 Cb 1.05 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.91 3djm h GLU 90 CO 1.11 0.19 -0.96 0.43 -1.00 0.00 0.00 179.01 178.78 3djm n SER 91 N -3.14 0.44 -4.79 1.42 7.64 -1.26 -4.29 113.62 109.63 3djm n SER 91 Ca 0.03 -2.66 -0.33 0.00 1.01 0.00 0.00 58.87 56.92 3djm n SER 91 Cb 0.61 -0.61 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3djm n SER 91 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3djm s PRO 92 N -0.75 3.14 0.97 1.43 0.02 -1.26 -4.64 135.00 133.91 3djm s PRO 92 Ca 0.33 1.28 -0.12 0.00 0.02 0.00 0.00 61.00 62.52 3djm s PRO 92 Cb 0.09 -2.00 0.17 0.00 0.02 0.00 0.00 34.50 32.77 3djm s PRO 92 CO -0.15 -0.96 1.09 0.15 -0.33 0.00 0.00 177.00 176.79 3djm s LYS 93 N -4.05 0.69 0.28 5.54 1.02 0.13 -4.77 119.74 118.59 3djm s LYS 93 Ca 0.65 0.80 -0.30 0.00 0.02 0.00 0.00 55.97 57.14 3djm s LYS 93 Cb -0.18 -1.74 -0.12 0.00 -0.52 0.00 0.00 37.83 35.27 3djm s LYS 93 CO 0.38 -2.63 1.61 -1.91 -0.92 0.00 0.00 175.35 171.89 3djm n GLU 94 N -4.14 2.72 0.00 1.68 2.13 -1.26 -2.15 120.64 119.62 3djm n GLU 94 Ca 0.06 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.85 3djm n GLU 94 Cb 0.55 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.50 3djm n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3djm n GLY 95 N 2.36 3.36 0.91 8.31 0.00 -1.26 -4.90 105.19 113.97 3djm n GLY 95 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3djm n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3djm n LEU 96 N 0.00 3.91 0.29 0.99 4.77 -0.91 -4.71 117.00 121.33 3djm n LEU 96 Ca 0.00 -3.01 0.19 0.00 -0.03 0.00 0.00 56.01 53.16 3djm n LEU 96 Cb 0.00 -0.54 0.90 0.00 -2.33 0.00 0.00 43.42 41.45 3djm n LEU 96 CO 0.00 0.67 1.06 -0.33 -1.33 0.00 0.00 177.39 177.46 3djm h GLU 97 N 1.84 0.00 0.00 3.23 3.07 -1.86 -2.68 114.58 118.18 3djm h GLU 97 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3djm h GLU 97 Cb 1.45 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3djm h GLU 97 CO 0.22 0.00 -0.05 0.00 -1.40 0.00 0.00 179.01 177.79 3djm h ALA 98 N 2.02 1.70 -0.62 3.43 0.00 -1.96 -2.23 119.26 121.61 3djm h ALA 98 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3djm h ALA 98 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3djm h ALA 98 CO 0.00 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.75 3djm n ILE 99 N -4.16 1.79 -1.66 0.00 -5.35 -1.01 -4.95 119.36 104.02 3djm n ILE 99 Ca -0.03 -1.22 -0.47 0.00 -0.27 0.00 0.00 62.75 60.76 3djm n ILE 99 Cb 0.13 0.14 -0.04 0.00 -1.74 0.00 0.00 39.64 38.13 3djm n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3djm n ALA 100 N 1.03 1.06 -0.63 -1.28 0.00 -0.84 -1.10 120.51 118.75 3djm n ALA 100 Ca 0.25 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3djm n ALA 100 Cb 0.86 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3djm n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djm n GLY 101 N 4.66 1.62 3.79 0.00 0.00 -0.63 -4.96 105.19 109.68 3djm n GLY 101 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3djm n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3djm s TYR 102 N -3.58 2.90 -0.07 1.61 1.51 -0.26 -4.25 117.35 115.21 3djm s TYR 102 Ca 0.00 1.53 -0.02 0.00 -1.01 0.00 0.00 57.07 57.57 3djm s TYR 102 Cb 0.00 -3.06 -0.03 0.00 -0.11 0.00 0.00 41.96 38.75 3djm s TYR 102 CO 0.00 -1.22 0.02 -0.51 -1.11 0.00 0.00 175.55 172.74 3djm s LEU 103 N -4.40 3.69 0.28 -1.29 2.01 0.37 -4.10 118.68 115.24 3djm s LEU 103 Ca 0.65 0.15 0.08 0.00 0.01 0.00 0.00 54.13 55.03 3djm s LEU 103 Cb -0.17 -1.93 -0.06 0.00 0.01 0.00 0.00 46.19 44.04 3djm s LEU 103 CO 0.35 0.35 -0.11 0.00 1.01 0.00 0.00 176.35 177.96 3djm s ALA 104 N -0.96 2.49 0.01 4.21 0.00 -0.33 0.28 121.76 127.46 3djm s ALA 104 Ca 0.15 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.25 3djm s ALA 104 Cb -0.11 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3djm s ALA 104 CO 0.05 0.05 -0.10 -0.06 0.00 0.00 0.00 175.76 175.70 3djm s PHE 105 N -2.83 0.84 -0.02 0.00 0.40 -1.26 -1.37 117.98 113.75 3djm s PHE 105 Ca 0.29 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 56.08 3djm s PHE 105 Cb 0.01 -0.52 -0.05 0.00 0.51 0.00 0.00 43.02 42.96 3djm s PHE 105 CO 0.13 -0.01 1.46 0.00 0.70 0.00 0.00 175.22 177.49 3djm s ALA 106 N -0.51 3.61 -0.49 5.36 0.00 0.50 -4.91 121.76 125.31 3djm s ALA 106 Ca 0.01 0.88 0.25 0.00 0.00 0.00 0.00 51.96 53.10 3djm s ALA 106 Cb -0.05 -3.64 0.96 0.00 0.00 0.00 0.00 23.12 20.40 3djm s ALA 106 CO 0.00 -1.05 1.74 -1.00 0.00 0.00 0.00 175.76 175.46 3djm h PRO 107 N 8.22 0.00 0.00 0.00 0.13 -1.90 -2.86 132.00 135.59 3djm h PRO 107 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3djm h PRO 107 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3djm h PRO 107 CO 0.92 0.00 -0.04 0.38 -0.23 0.00 0.00 178.00 179.03 3djm h ASP 108 N 0.00 0.00 0.00 1.44 2.03 -1.98 -3.30 116.42 114.61 3djm h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3djm h ASP 108 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 3djm h ASP 108 CO 0.00 0.04 -0.07 0.00 -1.03 0.00 0.00 179.24 178.19 3djm s THR 110 N 0.00 0.63 -0.07 0.00 -4.23 -1.08 -4.73 115.64 106.15 3djm s THR 110 Ca 0.00 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 3djm s THR 110 Cb 0.00 -1.89 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 3djm s THR 110 CO 0.00 -0.67 -0.21 -0.75 -0.54 0.00 0.00 174.62 172.45 3djm s LYS 111 N -3.89 2.46 0.00 3.99 2.20 0.11 -4.50 119.74 120.11 3djm s LYS 111 Ca 0.18 -0.76 0.07 0.00 -0.36 0.00 0.00 55.97 55.10 3djm s LYS 111 Cb 0.06 -1.98 -0.02 0.00 -1.51 0.00 0.00 37.83 34.38 3djm s LYS 111 CO -0.01 0.22 -0.22 0.08 -0.36 0.00 0.00 175.35 175.06 3djm s VAL 112 N 0.19 1.79 0.00 4.02 1.01 -1.26 -1.19 120.40 124.96 3djm s VAL 112 Ca -0.11 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.81 3djm s VAL 112 Cb -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3djm s VAL 112 CO 0.05 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3djm n GLY 113 N 2.28 0.51 3.77 4.51 0.00 -0.74 -5.00 105.19 110.52 3djm n GLY 113 Ca -0.16 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 3djm n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3djm s GLN 114 N -2.00 4.71 0.00 1.61 0.74 -1.26 -0.92 119.66 122.54 3djm s GLN 114 Ca 0.00 1.37 0.27 0.00 0.05 0.00 0.00 55.36 57.05 3djm s GLN 114 Cb 0.00 -3.09 1.61 0.00 1.10 0.00 0.00 33.01 32.63 3djm s GLN 114 CO 0.00 0.44 1.96 0.98 -0.55 0.00 0.00 175.29 178.12