#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 2.38 -0.12 3.57 1.01 -1.26 -1.99 121.20 124.79 3djm s ILE 7 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 3djm s ILE 7 Cb 0.00 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3djm s ILE 7 CO 0.00 0.54 -0.01 -0.60 0.00 0.00 0.00 174.94 174.87 3djm s ARG 8 N 0.54 3.34 -0.17 2.79 3.52 0.08 -4.98 118.95 124.07 3djm s ARG 8 Ca -0.12 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3djm s ARG 8 Cb -0.17 -2.88 -0.00 0.00 -1.56 0.00 0.00 34.95 30.34 3djm s ARG 8 CO 0.04 0.49 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.38 3djm s LEU 9 N -0.29 2.60 0.16 -0.88 1.43 -1.26 -1.26 118.68 119.18 3djm s LEU 9 Ca 0.06 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 3djm s LEU 9 Cb -0.12 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3djm s LEU 9 CO 0.02 0.07 -0.14 -0.13 0.23 0.00 0.00 176.35 176.40 3djm s ARG 10 N 0.92 1.16 -0.02 1.70 0.52 -0.34 -4.96 118.95 117.92 3djm s ARG 10 Ca -0.03 -1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 53.49 3djm s ARG 10 Cb -0.15 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 3djm s ARG 10 CO -0.01 0.18 1.25 0.21 0.02 0.00 0.00 175.30 176.95 3djm s LYS 11 N -3.11 4.35 -0.11 3.54 2.20 -1.26 -0.05 119.74 125.29 3djm s LYS 11 Ca 0.15 1.77 -0.30 0.00 -0.36 0.00 0.00 55.97 57.23 3djm s LYS 11 Cb -0.03 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 3djm s LYS 11 CO 0.04 -0.43 1.33 0.00 -0.36 0.00 0.00 175.35 175.93 3djm s ALA 12 N 1.99 3.62 0.23 3.13 0.00 0.13 -4.79 121.76 126.07 3djm s ALA 12 Ca 0.58 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 3djm s ALA 12 Cb -0.27 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 3djm s ALA 12 CO 0.25 -1.12 1.08 -1.83 0.00 0.00 0.00 175.76 174.13 3djm s GLU 13 N 3.27 4.65 1.61 0.00 -1.05 -1.26 -4.51 118.70 121.41 3djm s GLU 13 Ca 0.59 1.72 0.00 0.00 -0.15 0.00 0.00 54.97 57.13 3djm s GLU 13 Cb -0.25 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.20 3djm s GLU 13 CO 0.19 0.20 0.00 0.41 0.95 0.00 0.00 175.26 177.02 3djm n GLY 14 N 1.58 -1.63 3.67 -3.83 0.00 -1.26 -4.82 105.19 98.90 3djm n GLY 14 Ca 0.00 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.07 1.61 2.20 -1.26 -4.47 119.74 121.93 3djm s LYS 15 Ca 0.00 0.28 0.02 0.00 -0.36 0.00 0.00 55.97 55.91 3djm s LYS 15 Cb 0.00 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 3djm s LYS 15 CO 0.00 -0.06 -0.12 -1.58 -0.36 0.00 0.00 175.35 173.23 3djm s TRP 16 N 1.37 2.79 0.08 4.03 0.52 -0.02 -0.10 118.94 127.60 3djm s TRP 16 Ca 0.21 -0.17 0.10 0.00 0.02 0.00 0.00 56.10 56.25 3djm s TRP 16 Cb -0.15 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 3djm s TRP 16 CO 0.09 0.17 -0.26 0.08 0.02 0.00 0.00 176.95 177.05 3djm s VAL 17 N -0.58 2.09 -0.09 4.03 1.01 -0.02 -0.98 120.40 125.87 3djm s VAL 17 Ca 0.08 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.60 3djm s VAL 17 Cb -0.11 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3djm s VAL 17 CO 0.01 0.23 -0.18 -0.51 0.00 0.00 0.00 175.10 174.65 3djm s ILE 18 N -0.91 1.64 0.25 2.22 1.10 -0.13 -1.70 121.20 123.66 3djm s ILE 18 Ca 0.12 -0.77 -0.12 0.00 -0.51 0.00 0.00 60.65 59.37 3djm s ILE 18 Cb -0.10 -1.44 -0.01 0.00 0.15 0.00 0.00 42.46 41.06 3djm s ILE 18 CO 0.03 0.47 0.46 0.00 -2.11 0.00 0.00 174.94 173.79 3djm s ARG 19 N 0.52 1.54 0.08 3.50 1.70 -0.27 -1.32 118.95 124.71 3djm s ARG 19 Ca -0.16 -1.29 0.01 0.00 -0.47 0.00 0.00 55.73 53.81 3djm s ARG 19 Cb -0.17 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 3djm s ARG 19 CO 0.06 -0.64 0.07 0.25 -1.08 0.00 0.00 175.30 173.97 3djm n THR 20 N -0.38 0.00 1.11 4.99 -2.24 -0.61 -0.45 114.28 116.70 3djm n THR 20 Ca -0.01 -0.32 0.11 0.00 -2.27 0.00 0.00 64.05 61.56 3djm n THR 20 Cb 0.62 -0.53 0.59 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.16 0.00 0.00 3.42 5.75 -1.26 -4.05 116.55 118.24 3djm n ASP 21 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 3djm n ASP 21 Cb 0.09 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.26 0.10 -3.68 -1.12 3.41 -1.26 -5.11 113.62 104.70 3djm n SER 22 Ca 0.11 -0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 58.07 3djm n SER 22 Cb 0.17 0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.11 -0.98 -0.29 7.33 0.00 -1.26 -5.04 121.76 121.42 3djm s ALA 23 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 3djm s ALA 23 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3djm s ALA 23 CO 0.00 -0.43 0.27 0.08 0.00 0.00 0.00 175.76 175.68 3djm s VAL 24 N -2.35 5.25 -0.24 0.00 1.01 -1.26 -1.57 120.40 121.23 3djm s VAL 24 Ca -0.06 0.22 0.22 0.00 0.00 0.00 0.00 61.98 62.36 3djm s VAL 24 Cb -0.01 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.54 3djm s VAL 24 CO -0.02 0.14 0.78 0.18 0.00 0.00 0.00 175.10 176.19 3djm n LEU 25 N 5.19 0.43 -3.62 3.92 4.77 -0.44 -4.92 117.00 122.32 3djm n LEU 25 Ca -0.12 0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 3djm n LEU 25 Cb 0.51 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3djm n LEU 25 CO 0.36 -0.05 0.83 -0.83 -1.33 0.00 0.00 177.39 176.37 3djm s GLY 26 N -4.26 -0.10 -0.04 -0.72 0.00 -0.85 -0.70 107.32 100.66 3djm s GLY 26 Ca -0.03 2.65 0.03 0.00 0.00 0.00 0.00 44.72 47.37 3djm s GLY 26 CO 0.85 1.62 -0.11 -0.54 0.00 0.00 0.00 173.10 174.93 3djm s GLU 27 N -0.18 1.27 -0.01 2.90 2.02 -1.20 -0.95 118.70 122.54 3djm s GLU 27 Ca 0.03 -0.36 -0.12 0.00 0.02 0.00 0.00 54.97 54.54 3djm s GLU 27 Cb -0.04 -1.13 0.02 0.00 0.10 0.00 0.00 34.13 33.08 3djm s GLU 27 CO -0.06 0.09 0.24 -0.08 0.02 0.00 0.00 175.26 175.48 3djm s THR 28 N 0.37 0.06 -2.30 3.63 -1.32 -0.15 -4.83 115.64 111.09 3djm s THR 28 Ca -0.07 -0.52 0.21 0.00 -1.21 0.00 0.00 61.69 60.11 3djm s THR 28 Cb -0.12 -0.53 0.38 0.00 -1.51 0.00 0.00 72.50 70.72 3djm s THR 28 CO 0.02 -0.28 1.34 0.18 -2.21 0.00 0.00 174.62 173.66 3djm n LEU 29 N 1.48 3.29 -1.95 9.08 4.77 -1.26 -0.85 117.00 131.57 3djm n LEU 29 Ca -0.21 -1.47 -0.05 0.00 -0.03 0.00 0.00 56.01 54.25 3djm n LEU 29 Cb 0.56 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3djm n LEU 29 CO 0.21 0.70 0.12 0.59 -1.33 0.00 0.00 177.39 177.69 3djm n ASN 30 N 1.36 2.42 -4.76 -1.43 5.03 -1.26 -4.79 115.26 111.81 3djm n ASN 30 Ca 0.17 -2.82 -0.36 0.00 0.87 0.00 0.00 54.58 52.44 3djm n ASN 30 Cb 0.57 -0.41 0.01 0.00 -1.02 0.00 0.00 39.78 38.93 3djm n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3djm s ALA 31 N -2.86 2.77 -0.11 5.41 0.00 -1.26 -4.57 121.76 121.13 3djm s ALA 31 Ca 0.37 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.33 3djm s ALA 31 Cb 0.37 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3djm s ALA 31 CO -0.05 -0.93 -0.14 0.42 0.00 0.00 0.00 175.76 175.06 3djm s ILE 32 N -1.57 2.98 -0.25 0.00 1.01 -0.38 -0.70 121.20 122.29 3djm s ILE 32 Ca 0.71 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 3djm s ILE 32 Cb -0.30 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3djm s ILE 32 CO 0.34 0.54 0.22 -0.70 0.00 0.00 0.00 174.94 175.34 3djm s GLU 33 N 0.17 4.05 -0.23 2.79 2.12 0.92 -0.43 118.70 128.10 3djm s GLU 33 Ca -0.08 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.02 3djm s GLU 33 Cb -0.15 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 3djm s GLU 33 CO 0.05 -0.04 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.55 3djm s LEU 34 N 1.35 3.05 -0.16 2.70 0.20 -0.33 -1.20 118.68 124.28 3djm s LEU 34 Ca 0.10 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.55 3djm s LEU 34 Cb -0.14 -1.78 -0.00 0.00 -0.43 0.00 0.00 46.19 43.83 3djm s LEU 34 CO 0.07 -0.03 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.06 3djm s THR 35 N 1.51 2.66 -0.33 3.68 2.01 -0.39 -0.88 115.64 123.89 3djm s THR 35 Ca 0.06 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 3djm s THR 35 Cb -0.15 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.29 3djm s THR 35 CO -0.02 0.51 0.07 -0.70 -0.69 0.00 0.00 174.62 173.80 3djm s GLU 36 N 0.85 2.48 2.93 4.92 2.12 -1.26 -0.74 118.70 129.99 3djm s GLU 36 Ca -0.05 -1.28 0.00 0.00 0.36 0.00 0.00 54.97 54.00 3djm s GLU 36 Cb -0.15 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3djm s GLU 36 CO -0.01 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 3djm n GLY 37 N 4.71 2.30 0.31 -1.50 0.00 -0.84 -1.92 105.19 108.25 3djm n GLY 37 Ca -0.12 0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 6.24 1.62 -4.88 1.61 3.41 -1.26 -4.98 113.62 115.38 3djm n SER 38 Ca 0.00 -1.29 -0.30 0.00 -0.26 0.00 0.00 58.87 57.02 3djm n SER 38 Cb 0.00 0.63 0.02 0.00 -0.26 0.00 0.00 64.21 64.60 3djm n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djm s ARG 39 N -2.66 3.38 0.40 4.33 1.70 -0.81 -4.99 118.95 120.29 3djm s ARG 39 Ca 0.15 0.56 -0.27 0.00 -0.47 0.00 0.00 55.73 55.70 3djm s ARG 39 Cb 0.17 -2.12 -0.10 0.00 -0.57 0.00 0.00 34.95 32.33 3djm s ARG 39 CO 0.67 -0.64 1.46 -0.25 -1.08 0.00 0.00 175.30 175.46 3djm n ASP 40 N -2.73 3.59 -4.74 -2.89 8.00 -1.26 -4.45 116.55 112.07 3djm n ASP 40 Ca 0.05 1.20 -0.37 0.00 0.71 0.00 0.00 54.79 56.38 3djm n ASP 40 Cb 0.55 -1.61 0.05 0.00 -0.02 0.00 0.00 41.12 40.09 3djm n ASP 40 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3djm s PRO 41 N -2.18 2.89 -0.09 -0.24 0.04 -1.26 -4.79 135.00 129.36 3djm s PRO 41 Ca 0.55 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.65 3djm s PRO 41 Cb -0.47 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 3djm s PRO 41 CO 0.62 -1.33 -0.21 0.08 0.04 0.00 0.00 177.00 176.21 3djm s VAL 42 N -1.44 2.42 -0.15 -0.36 1.01 -0.06 -4.95 120.40 116.87 3djm s VAL 42 Ca 0.77 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 3djm s VAL 42 Cb -0.36 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3djm s VAL 42 CO 0.39 0.56 0.36 -0.63 0.00 0.00 0.00 175.10 175.78 3djm s ILE 43 N 0.08 5.26 -0.20 2.22 -1.09 -1.26 -1.19 121.20 125.02 3djm s ILE 43 Ca -0.09 0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 3djm s ILE 43 Cb -0.15 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 3djm s ILE 43 CO 0.06 0.35 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.80 3djm s TYR 44 N 0.64 3.03 -0.18 3.97 1.51 0.43 -4.40 117.35 122.36 3djm s TYR 44 Ca 0.20 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.71 3djm s TYR 44 Cb -0.14 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 3djm s TYR 44 CO 0.06 -0.23 0.14 -0.06 -1.11 0.00 0.00 175.55 174.36 3djm s PHE 45 N 0.94 3.46 0.36 2.71 0.40 0.11 -1.26 117.98 124.70 3djm s PHE 45 Ca 0.01 0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 56.45 3djm s PHE 45 Cb -0.14 -2.11 -0.11 0.00 0.51 0.00 0.00 43.02 41.17 3djm s PHE 45 CO 0.02 0.40 1.44 -1.25 0.70 0.00 0.00 175.22 176.52 3djm s PRO 46 N 0.02 4.18 0.29 0.24 0.04 -1.26 -0.63 135.00 137.88 3djm s PRO 46 Ca 0.10 2.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.60 3djm s PRO 46 Cb -0.11 -3.00 0.48 0.00 0.04 0.00 0.00 34.50 31.91 3djm s PRO 46 CO -0.00 -0.44 1.90 -0.09 0.04 0.00 0.00 177.00 178.42 3djm h ARG 47 N 3.23 1.06 0.00 4.56 2.43 -1.94 -1.43 114.38 122.29 3djm h ARG 47 Ca -0.50 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3djm h ARG 47 Cb 1.23 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3djm h ARG 47 CO 0.65 0.70 0.00 1.05 -1.51 0.00 0.00 179.97 180.86 3djm h GLU 48 N 1.09 0.00 -0.33 0.20 4.11 -1.94 -1.68 114.58 116.03 3djm h GLU 48 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 3djm h GLU 48 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3djm h GLU 48 CO -0.15 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.68 3djm n ASP 49 N -2.60 3.26 -4.65 3.06 8.00 -0.54 -4.94 116.55 118.13 3djm n ASP 49 Ca -0.01 -1.94 -0.31 0.00 0.71 0.00 0.00 54.79 53.24 3djm n ASP 49 Cb 0.14 -0.21 -0.09 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 -1.41 3.88 0.40 2.53 1.01 -0.63 -3.27 120.40 122.91 3djm s VAL 50 Ca 0.34 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 3djm s VAL 50 Cb 0.20 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 3djm s VAL 50 CO 0.28 0.26 0.88 0.00 0.00 0.00 0.00 175.10 176.52 3djm s ALA 51 N -1.16 3.14 -1.48 5.51 0.00 0.13 -5.00 121.76 122.91 3djm s ALA 51 Ca 0.21 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 3djm s ALA 51 Cb -0.11 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.06 3djm s ALA 51 CO 0.13 0.17 1.04 1.55 0.00 0.00 0.00 175.76 178.65 3djm n VAL 53 N -0.63 -2.37 -1.19 0.00 3.14 -1.26 -5.07 118.33 110.96 3djm n VAL 53 Ca 0.06 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3djm n VAL 53 Cb 0.54 -3.20 0.00 0.00 -1.06 0.00 0.00 33.84 30.12 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 -4.78 -1.19 -4.27 1.45 3.01 -1.26 -5.04 117.46 105.39 3djm n PHE 55 Ca 0.03 0.63 -0.32 0.00 1.01 0.00 0.00 57.45 58.80 3djm n PHE 55 Cb 0.54 -1.31 -0.16 0.00 -0.01 0.00 0.00 39.48 38.54 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 -3.10 2.98 0.29 4.37 1.01 0.08 -4.95 116.67 117.34 3djm s ASP 56 Ca 0.00 -0.59 -0.30 0.00 0.71 0.00 0.00 52.55 52.37 3djm s ASP 56 Cb 0.00 -1.38 -0.11 0.00 1.01 0.00 0.00 42.92 42.44 3djm s ASP 56 CO 0.00 0.01 1.62 -0.75 0.21 0.00 0.00 175.17 176.26 3djm s LYS 57 N 1.18 4.11 0.36 8.23 2.20 -1.26 -0.92 119.74 133.64 3djm s LYS 57 Ca 0.01 2.60 0.07 0.00 -0.36 0.00 0.00 55.97 58.28 3djm s LYS 57 Cb -0.14 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.16 3djm s LYS 57 CO -0.09 -0.66 0.51 0.45 -0.36 0.00 0.00 175.35 175.20 3djm s SER 58 N 0.57 5.88 0.30 1.43 0.15 -0.18 -4.87 113.70 116.98 3djm s SER 58 Ca 0.65 -0.22 0.13 0.00 0.70 0.00 0.00 55.95 57.21 3djm s SER 58 Cb -0.48 -1.11 0.42 0.00 -1.71 0.00 0.00 66.02 63.15 3djm s SER 58 CO 0.47 -0.53 1.63 -0.33 1.20 0.00 0.00 173.24 175.68 3djm h GLU 59 N 0.80 0.00 -6.88 5.44 5.08 -1.94 -3.43 114.58 113.65 3djm h GLU 59 Ca -0.44 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.38 3djm h GLU 59 Cb 1.26 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.61 3djm h GLU 59 CO 0.51 0.56 0.84 0.21 -1.00 0.00 0.00 179.01 180.12 3djm s LYS 60 N -3.56 4.11 0.03 2.33 2.20 -1.26 -4.99 119.74 118.59 3djm s LYS 60 Ca -0.01 2.59 -0.00 0.00 -0.36 0.00 0.00 55.97 58.19 3djm s LYS 60 Cb 0.12 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 3djm s LYS 60 CO 0.74 -0.59 -0.03 0.14 -0.36 0.00 0.00 175.35 175.25 3djm s VAL 61 N -0.59 0.16 0.05 4.02 -7.23 -1.26 -3.30 120.40 112.25 3djm s VAL 61 Ca 0.58 -1.14 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 3djm s VAL 61 Cb -0.47 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 3djm s VAL 61 CO 0.56 -0.62 -0.10 0.42 -0.31 0.00 0.00 175.10 175.05 3djm s THR 62 N -2.07 0.78 -0.13 5.32 -4.23 -0.99 -4.98 115.64 109.34 3djm s THR 62 Ca -0.10 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.27 3djm s THR 62 Cb -0.06 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 3djm s THR 62 CO -0.03 -0.26 0.07 0.00 -0.54 0.00 0.00 174.62 173.87 3djm s ALA 63 N -1.20 3.55 -0.12 3.99 0.00 -1.26 -0.86 121.76 125.86 3djm s ALA 63 Ca -0.05 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3djm s ALA 63 Cb -0.09 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.24 3djm s ALA 63 CO 0.01 0.47 -0.12 0.00 0.00 0.00 0.00 175.76 176.12 3djm h PRO 65 N 7.78 0.12 0.11 0.00 0.11 -1.99 -1.36 132.00 136.76 3djm h PRO 65 Ca -0.33 -0.01 -0.35 0.00 0.11 0.00 0.00 66.00 65.42 3djm h PRO 65 Cb 1.15 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3djm h PRO 65 CO 0.48 0.08 -1.95 1.28 -0.21 0.00 0.00 178.00 177.68 3djm n LEU 66 N -4.37 2.36 -0.10 2.35 4.77 -1.26 -4.69 117.00 116.06 3djm n LEU 66 Ca 0.15 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3djm n LEU 66 Cb 0.74 -0.92 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 3djm n LEU 66 CO 0.36 0.78 -1.15 0.29 -1.33 0.00 0.00 177.39 176.34 3djm n LYS 67 N -3.41 0.68 0.00 3.23 5.02 -1.02 -4.61 118.16 118.05 3djm n LYS 67 Ca -0.29 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3djm n LYS 67 Cb 1.05 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 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 1.91 0.22 3.64 0.72 0.00 -0.54 -0.69 105.19 110.44 3djm n GLY 68 Ca -0.36 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.32 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 4.06 -0.23 1.61 2.12 -1.26 -0.96 118.70 124.04 3djm s GLU 69 Ca 0.00 -0.06 -0.21 0.00 0.36 0.00 0.00 54.97 55.07 3djm s GLU 69 Cb 0.00 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3djm s GLU 69 CO 0.00 -0.10 0.64 0.00 -0.54 0.00 0.00 175.26 175.26 3djm s ALA 70 N 1.54 3.59 0.17 6.30 0.00 -0.04 -4.11 121.76 129.21 3djm s ALA 70 Ca 0.13 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 3djm s ALA 70 Cb -0.15 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 3djm s ALA 70 CO 0.08 -0.72 0.60 -1.12 0.00 0.00 0.00 175.76 174.60 3djm s SER 71 N 1.36 6.87 0.20 0.00 0.01 0.34 -2.36 113.70 120.12 3djm s SER 71 Ca 0.28 1.16 0.08 0.00 1.31 0.00 0.00 55.95 58.78 3djm s SER 71 Cb -0.16 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 3djm s SER 71 CO 0.09 0.07 -0.01 -0.31 0.41 0.00 0.00 173.24 173.49 3djm s TYR 72 N -1.51 2.79 0.01 2.43 1.51 -1.21 -0.71 117.35 120.66 3djm s TYR 72 Ca 0.40 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.30 3djm s TYR 72 Cb -0.15 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3djm s TYR 72 CO 0.20 0.54 -0.04 0.71 -1.11 0.00 0.00 175.55 175.85 3djm s TYR 73 N -1.87 0.32 -0.00 2.71 1.51 0.36 -1.01 117.35 119.36 3djm s TYR 73 Ca 0.28 -0.15 -0.06 0.00 -1.01 0.00 0.00 57.07 56.13 3djm s TYR 73 Cb -0.09 -0.20 -0.05 0.00 -0.11 0.00 0.00 41.96 41.51 3djm s TYR 73 CO 0.19 -0.03 0.25 -1.12 -1.11 0.00 0.00 175.55 173.73 3djm s SER 74 N -0.38 6.48 -0.13 2.29 0.01 -0.10 -1.82 113.70 120.04 3djm s SER 74 Ca -0.02 0.53 -0.00 0.00 1.31 0.00 0.00 55.95 57.77 3djm s SER 74 Cb -0.03 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 3djm s SER 74 CO -0.00 0.26 -0.12 -0.63 0.41 0.00 0.00 173.24 173.16 3djm s ILE 75 N -1.29 3.13 -0.07 1.44 1.01 -0.69 -0.74 121.20 123.98 3djm s ILE 75 Ca 0.27 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 3djm s ILE 75 Cb -0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3djm s ILE 75 CO 0.16 0.52 0.22 -0.69 0.00 0.00 0.00 174.94 175.15 3djm s VAL 76 N 0.32 5.37 0.26 2.92 1.01 -1.26 0.26 120.40 129.27 3djm s VAL 76 Ca -0.10 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 3djm s VAL 76 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.74 3djm s VAL 76 CO 0.05 0.57 0.38 0.61 0.00 0.00 0.00 175.10 176.72 3djm n GLY 77 N 1.81 2.21 0.38 4.51 0.00 -0.73 -4.92 105.19 108.45 3djm n GLY 77 Ca -0.17 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.50 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 1.89 2.01 -0.00 4.61 0.00 -1.98 -1.27 119.26 124.51 3djm h ALA 78 Ca -0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3djm h ALA 78 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3djm h ALA 78 CO 0.27 -0.23 -0.41 0.43 0.00 0.00 0.00 179.25 179.31 3djm n SER 79 N -4.51 0.68 0.00 0.00 7.64 -1.26 -5.06 113.62 111.11 3djm n SER 79 Ca 0.16 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.57 3djm n SER 79 Cb 0.52 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 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 1.44 0.60 3.72 0.23 0.00 -0.48 -5.05 105.19 105.66 3djm n GLY 80 Ca 0.08 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.90 4.90 -0.70 2.61 2.01 -1.26 -1.77 115.64 120.52 3djm s THR 81 Ca 0.00 1.64 -0.18 0.00 0.31 0.00 0.00 61.69 63.46 3djm s THR 81 Cb 0.00 -4.13 0.13 0.00 0.01 0.00 0.00 72.50 68.52 3djm s THR 81 CO 0.00 0.27 0.78 -0.76 -0.69 0.00 0.00 174.62 174.22 3djm s LEU 82 N 0.56 5.67 0.06 4.42 1.43 0.14 -4.95 118.68 126.00 3djm s LEU 82 Ca 0.41 -1.82 -0.31 0.00 -1.03 0.00 0.00 54.13 51.38 3djm s LEU 82 Cb -0.19 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.66 3djm s LEU 82 CO 0.22 -0.98 1.55 -0.75 0.23 0.00 0.00 176.35 176.62 3djm s LYS 83 N 2.09 4.23 -1.38 1.70 2.47 -1.26 -1.71 119.74 125.88 3djm s LYS 83 Ca 0.16 2.20 -0.09 0.00 -1.56 0.00 0.00 55.97 56.69 3djm s LYS 83 Cb -0.18 -3.55 0.06 0.00 -1.46 0.00 0.00 37.83 32.70 3djm s LYS 83 CO 0.00 -0.66 0.57 -0.25 0.16 0.00 0.00 175.35 175.17 3djm n ASP 84 N 5.35 -4.49 0.03 1.43 8.00 -1.23 -4.85 116.55 120.78 3djm n ASP 84 Ca 0.15 -0.40 0.14 0.00 0.71 0.00 0.00 54.79 55.38 3djm n ASP 84 Cb 0.41 -3.67 0.52 0.00 -0.02 0.00 0.00 41.12 38.36 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 -3.65 2.47 -2.56 2.24 0.00 -0.76 -4.76 120.51 113.49 3djm n ALA 85 Ca -0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3djm n ALA 85 Cb 0.56 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.03 0.81 0.15 0.00 0.00 -0.87 -0.56 121.76 118.26 3djm s ALA 86 Ca 0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 3djm s ALA 86 Cb 0.17 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 3djm s ALA 86 CO 0.57 -0.09 0.14 1.67 0.00 0.00 0.00 175.76 178.05 3djm s TRP 87 N -2.30 0.73 -0.18 0.00 -2.14 -0.44 -0.49 118.94 114.12 3djm s TRP 87 Ca -0.00 -1.09 -0.16 0.00 2.66 0.00 0.00 56.10 57.52 3djm s TRP 87 Cb -0.04 -0.34 0.05 0.00 -3.10 0.00 0.00 33.47 30.04 3djm s TRP 87 CO -0.01 -0.60 0.47 0.45 -2.66 0.00 0.00 176.95 174.59 3djm s SER 88 N -3.03 -0.51 -0.78 -2.66 0.15 0.11 -1.24 113.70 105.74 3djm s SER 88 Ca 0.23 0.96 -0.20 0.00 0.70 0.00 0.00 55.95 57.64 3djm s SER 88 Cb 0.06 0.95 0.11 0.00 -1.71 0.00 0.00 66.02 65.43 3djm s SER 88 CO 0.02 -0.17 0.99 -0.31 1.20 0.00 0.00 173.24 174.97 3djm s TYR 89 N 0.41 2.99 -0.46 3.44 2.02 -1.26 -0.50 117.35 123.99 3djm s TYR 89 Ca -0.01 -1.09 0.23 0.00 -0.37 0.00 0.00 57.07 55.83 3djm s TYR 89 Cb -0.04 -4.22 0.36 0.00 -0.40 0.00 0.00 41.96 37.67 3djm s TYR 89 CO -0.01 -1.48 1.56 0.93 -1.57 0.00 0.00 175.55 174.98 3djm h GLU 90 N 9.07 0.00 -2.10 -0.62 5.08 -1.89 -2.16 114.58 121.95 3djm h GLU 90 Ca -0.06 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.73 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 0.00 -1.02 0.43 -1.00 0.00 0.00 179.01 178.53 3djm n SER 91 N -2.92 0.54 -4.76 1.42 7.64 -1.26 -4.32 113.62 109.96 3djm n SER 91 Ca 0.04 -2.74 -0.33 0.00 1.01 0.00 0.00 58.87 56.85 3djm n SER 91 Cb 0.52 -0.63 0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.14 2.66 0.98 1.43 0.02 -1.26 -4.67 135.00 133.02 3djm s PRO 92 Ca 0.35 1.41 -0.12 0.00 0.02 0.00 0.00 61.00 62.66 3djm s PRO 92 Cb 0.14 -1.93 0.18 0.00 0.02 0.00 0.00 34.50 32.91 3djm s PRO 92 CO -0.11 -1.36 1.08 0.15 -0.33 0.00 0.00 177.00 176.43 3djm s LYS 93 N -4.16 0.60 0.21 5.54 1.02 0.13 -4.78 119.74 118.30 3djm s LYS 93 Ca 0.67 0.92 -0.32 0.00 0.02 0.00 0.00 55.97 57.26 3djm s LYS 93 Cb -0.21 -1.73 -0.12 0.00 -0.52 0.00 0.00 37.83 35.25 3djm s LYS 93 CO 0.43 -2.72 1.66 -0.85 -0.92 0.00 0.00 175.35 172.95 3djm n GLU 94 N -4.22 2.59 0.00 1.68 0.28 -1.26 -2.13 120.64 117.57 3djm n GLU 94 Ca 0.07 0.93 0.00 0.00 -0.16 0.00 0.00 57.16 58.00 3djm n GLU 94 Cb 0.55 -2.74 0.00 0.00 1.43 0.00 0.00 31.44 30.68 3djm n GLU 94 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3djm n GLY 95 N 3.47 3.33 0.86 -1.84 0.00 -1.26 -4.91 105.19 104.84 3djm n GLY 95 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 3.82 0.31 0.99 4.77 -0.90 -4.70 117.00 121.28 3djm n LEU 96 Ca 0.00 -3.05 0.20 0.00 -0.03 0.00 0.00 56.01 53.13 3djm n LEU 96 Cb 0.00 -0.54 0.97 0.00 -2.33 0.00 0.00 43.42 41.52 3djm n LEU 96 CO 0.00 0.69 1.10 -0.33 -1.33 0.00 0.00 177.39 177.52 3djm h GLU 97 N 1.68 0.00 -0.13 3.23 3.07 -1.87 -2.65 114.58 117.92 3djm h GLU 97 Ca 0.01 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 3djm h GLU 97 Cb 1.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.34 3djm h GLU 97 CO 0.22 0.01 0.09 0.00 -1.40 0.00 0.00 179.01 177.92 3djm h ALA 98 N 1.99 2.07 -0.61 3.43 0.00 -1.96 -2.25 119.26 121.94 3djm h ALA 98 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3djm h ALA 98 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3djm h ALA 98 CO 0.00 -0.10 0.00 0.44 0.00 0.00 0.00 179.25 179.59 3djm n ILE 99 N -4.51 2.10 -1.67 0.00 -5.35 -1.00 -4.95 119.36 103.99 3djm n ILE 99 Ca -0.00 -1.29 -0.43 0.00 -0.27 0.00 0.00 62.75 60.76 3djm n ILE 99 Cb 0.18 0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 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 0.91 1.54 -0.18 -1.28 0.00 -0.85 -1.54 120.51 119.11 3djm n ALA 100 Ca 0.26 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3djm n ALA 100 Cb 0.97 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 4.51 2.13 3.79 0.00 0.00 -0.81 -4.97 105.19 109.83 3djm n GLY 101 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.00 2.90 -0.08 1.61 1.51 -0.59 -4.28 117.35 115.41 3djm s TYR 102 Ca 0.00 1.57 -0.05 0.00 -1.01 0.00 0.00 57.07 57.58 3djm s TYR 102 Cb 0.00 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.68 3djm s TYR 102 CO 0.00 -1.05 0.11 -0.51 -1.11 0.00 0.00 175.55 172.99 3djm s LEU 103 N -3.61 4.18 0.26 -1.29 2.01 0.20 -4.17 118.68 116.26 3djm s LEU 103 Ca 0.69 0.35 0.08 0.00 0.01 0.00 0.00 54.13 55.26 3djm s LEU 103 Cb -0.18 -2.13 -0.05 0.00 0.01 0.00 0.00 46.19 43.83 3djm s LEU 103 CO 0.22 0.36 -0.11 0.00 1.01 0.00 0.00 176.35 177.83 3djm s ALA 104 N -1.07 2.35 -0.01 4.21 0.00 -0.37 0.04 121.76 126.90 3djm s ALA 104 Ca 0.18 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.33 3djm s ALA 104 Cb -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 3djm s ALA 104 CO 0.07 0.05 -0.07 -0.06 0.00 0.00 0.00 175.76 175.75 3djm s PHE 105 N -2.88 0.65 -0.01 0.00 0.40 -1.26 -1.33 117.98 113.55 3djm s PHE 105 Ca 0.27 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.17 3djm s PHE 105 Cb 0.01 -0.45 -0.06 0.00 0.51 0.00 0.00 43.02 43.03 3djm s PHE 105 CO 0.11 -0.03 1.56 0.00 0.70 0.00 0.00 175.22 177.56 3djm s ALA 106 N -0.02 3.63 -0.22 5.36 0.00 0.28 -4.91 121.76 125.88 3djm s ALA 106 Ca 0.01 0.97 0.28 0.00 0.00 0.00 0.00 51.96 53.22 3djm s ALA 106 Cb -0.04 -3.68 1.13 0.00 0.00 0.00 0.00 23.12 20.52 3djm s ALA 106 CO -0.00 -1.17 1.84 -1.00 0.00 0.00 0.00 175.76 175.43 3djm h PRO 107 N 8.65 0.00 0.00 0.00 0.13 -1.90 -2.72 132.00 136.15 3djm h PRO 107 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 3djm h PRO 107 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3djm h PRO 107 CO 0.93 0.00 -0.03 0.38 -0.23 0.00 0.00 178.00 179.06 3djm h ASP 108 N 0.00 0.00 0.00 1.44 2.03 -1.98 -3.29 116.42 114.62 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 0.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 3djm h ASP 108 CO 0.00 0.03 -0.05 0.00 -1.03 0.00 0.00 179.24 178.19 3djm s THR 110 N 0.00 0.88 -0.06 0.00 -4.23 -1.03 -4.73 115.64 106.48 3djm s THR 110 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.57 3djm s THR 110 Cb 0.00 -1.88 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 3djm s THR 110 CO 0.00 -0.71 -0.22 -0.75 -0.54 0.00 0.00 174.62 172.40 3djm s LYS 111 N -3.82 2.35 -0.01 3.99 2.20 0.41 -4.49 119.74 120.36 3djm s LYS 111 Ca 0.17 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 3djm s LYS 111 Cb 0.04 -1.98 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 3djm s LYS 111 CO -0.00 0.32 -0.20 0.08 -0.36 0.00 0.00 175.35 175.19 3djm s VAL 112 N -0.05 1.55 -0.24 4.02 1.01 -1.26 -1.11 120.40 124.31 3djm s VAL 112 Ca -0.05 -0.85 -0.37 0.00 0.00 0.00 0.00 61.98 60.71 3djm s VAL 112 Cb -0.13 -1.29 0.15 0.00 0.00 0.00 0.00 36.38 35.11 3djm s VAL 112 CO 0.04 0.43 1.36 -0.83 0.00 0.00 0.00 175.10 176.09 3djm s GLY 113 N -0.48 -0.25 0.18 4.51 0.00 -0.69 -5.00 107.32 105.59 3djm s GLY 113 Ca 0.08 1.73 -0.29 0.00 0.00 0.00 0.00 44.72 46.23 3djm s GLY 113 CO -0.01 0.56 0.93 1.62 0.00 0.00 0.00 173.10 176.20 3djm s GLN 114 N -2.12 4.77 0.00 2.90 0.74 -1.26 -0.84 119.66 123.85 3djm s GLN 114 Ca 0.12 1.43 0.18 0.00 0.05 0.00 0.00 55.36 57.14 3djm s GLN 114 Cb 0.00 -3.31 1.10 0.00 1.10 0.00 0.00 33.01 31.89 3djm s GLN 114 CO -0.03 0.42 1.49 0.98 -0.55 0.00 0.00 175.29 177.60