#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm3 s SER 2 N 0.00 1.26 0.31 1.61 0.01 -1.26 -5.17 113.70 110.46 2dm3 s SER 2 Ca 0.00 -1.57 0.08 0.00 1.31 0.00 0.00 55.95 55.77 2dm3 s SER 2 Cb 0.00 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 2dm3 s SER 2 CO 0.00 -0.92 0.20 -0.44 0.41 0.00 0.00 173.24 172.49 2dm3 s SER 3 N -3.33 5.08 0.00 2.44 0.01 -1.26 -5.08 113.70 111.56 2dm3 s SER 3 Ca 0.38 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2dm3 s SER 3 Cb 0.05 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2dm3 s SER 3 CO 0.19 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2dm3 n GLY 4 N -1.22 0.03 4.49 3.44 0.00 -1.26 -5.00 105.19 105.67 2dm3 n GLY 4 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2dm3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm3 n SER 5 N -1.92 -1.93 -4.68 1.61 7.64 -1.26 -4.89 113.62 108.18 2dm3 n SER 5 Ca 0.00 -1.21 -0.35 0.00 1.01 0.00 0.00 58.87 58.32 2dm3 n SER 5 Cb 0.00 -1.78 -0.09 0.00 -1.01 0.00 0.00 64.21 61.33 2dm3 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dm3 s SER 6 N -3.31 5.65 0.00 6.43 0.01 -1.26 -4.96 113.70 116.26 2dm3 s SER 6 Ca 0.79 0.16 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2dm3 s SER 6 Cb -0.45 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2dm3 s SER 6 CO 1.01 0.26 0.00 0.61 0.41 0.00 0.00 173.24 175.53 2dm3 n GLY 7 N 2.95 -0.73 3.20 3.44 0.00 -1.26 -5.06 105.19 107.74 2dm3 n GLY 7 Ca -0.18 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 2dm3 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dm3 s PHE 8 N -0.97 1.37 0.36 1.61 0.08 -1.24 -4.91 117.98 114.29 2dm3 s PHE 8 Ca 0.00 -0.45 -0.28 0.00 0.12 0.00 0.00 56.93 56.32 2dm3 s PHE 8 Cb 0.00 -0.76 -0.11 0.00 -0.57 0.00 0.00 43.02 41.58 2dm3 s PHE 8 CO 0.00 0.10 1.46 0.50 -0.10 0.00 0.00 175.22 177.18 2dm3 s ARG 9 N -1.78 4.16 0.19 0.44 3.52 -1.26 -3.79 118.95 120.43 2dm3 s ARG 9 Ca 0.00 2.50 -0.30 0.00 -0.13 0.00 0.00 55.73 57.80 2dm3 s ARG 9 Cb -0.10 -3.00 -0.09 0.00 -1.56 0.00 0.00 34.95 30.21 2dm3 s ARG 9 CO 0.03 -0.47 1.31 -1.25 -0.81 0.00 0.00 175.30 174.10 2dm3 s PRO 10 N -1.88 4.39 -0.22 5.12 0.04 -1.26 -4.57 135.00 136.62 2dm3 s PRO 10 Ca 0.53 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.36 2dm3 s PRO 10 Cb -0.45 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 30.96 2dm3 s PRO 10 CO 0.60 -0.26 0.69 -3.38 0.04 0.00 0.00 177.00 174.69 2dm3 s HIS 11 N 0.17 -0.74 -0.59 0.56 -3.43 -1.11 -4.48 115.29 105.68 2dm3 s HIS 11 Ca 0.57 1.71 -0.28 0.00 -0.80 0.00 0.00 55.06 56.26 2dm3 s HIS 11 Cb -0.36 0.28 0.03 0.00 -1.43 0.00 0.00 32.58 31.10 2dm3 s HIS 11 CO 0.38 -0.41 1.18 -0.06 -2.00 0.00 0.00 174.74 173.82 2dm3 s PHE 12 N 0.07 2.59 0.29 0.38 0.08 -1.26 -1.11 117.98 119.02 2dm3 s PHE 12 Ca -0.02 0.33 0.03 0.00 0.12 0.00 0.00 56.93 57.39 2dm3 s PHE 12 Cb -0.04 -4.49 0.65 0.00 -0.57 0.00 0.00 43.02 38.57 2dm3 s PHE 12 CO 0.03 -1.61 1.78 -0.07 -0.10 0.00 0.00 175.22 175.24 2dm3 h LEU 13 N 11.94 0.71 -6.88 -0.37 3.38 0.62 -3.39 115.31 121.31 2dm3 h LEU 13 Ca -0.25 0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 2dm3 h LEU 13 Cb 1.06 -0.03 -0.31 0.00 0.09 0.00 0.00 40.66 41.46 2dm3 h LEU 13 CO 1.19 0.27 -0.50 -1.58 0.09 0.00 0.00 178.44 177.91 2dm3 s GLN 14 N -5.91 0.25 0.04 1.13 0.74 -1.19 -4.99 119.66 109.72 2dm3 s GLN 14 Ca -0.12 0.63 0.06 0.00 0.05 0.00 0.00 55.36 55.99 2dm3 s GLN 14 Cb 0.24 -0.33 -0.03 0.00 1.10 0.00 0.00 33.01 33.99 2dm3 s GLN 14 CO 0.79 -0.46 -0.15 0.00 -0.55 0.00 0.00 175.29 174.93 2dm3 s ALA 15 N 2.48 2.73 1.00 1.58 0.00 -1.26 -3.14 121.76 125.14 2dm3 s ALA 15 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2dm3 s ALA 15 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.14 2dm3 s ALA 15 CO -0.12 0.59 0.00 -0.35 0.00 0.00 0.00 175.76 175.88 2dm3 n PRO 16 N 1.46 -0.51 0.00 0.00 -0.04 -1.26 -5.09 135.00 129.56 2dm3 n PRO 16 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2dm3 n PRO 16 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2dm3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dm3 n GLY 17 N 2.45 3.32 3.40 0.55 0.00 -1.26 -4.95 105.19 108.70 2dm3 n GLY 17 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2dm3 n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dm3 s ASP 18 N 1.36 5.80 0.30 1.61 1.47 -1.26 -2.90 116.67 123.06 2dm3 s ASP 18 Ca 0.00 -0.91 0.10 0.00 1.18 0.00 0.00 52.55 52.92 2dm3 s ASP 18 Cb 0.00 -2.05 -0.05 0.00 -0.34 0.00 0.00 42.92 40.48 2dm3 s ASP 18 CO 0.00 -0.38 -0.08 -0.76 0.68 0.00 0.00 175.17 174.64 2dm3 s LEU 19 N 1.59 2.88 -0.10 2.11 1.02 -1.21 -5.01 118.68 119.96 2dm3 s LEU 19 Ca 0.03 -0.93 0.01 0.00 0.02 0.00 0.00 54.13 53.26 2dm3 s LEU 19 Cb -0.19 -1.33 0.02 0.00 0.02 0.00 0.00 46.19 44.71 2dm3 s LEU 19 CO 0.07 -0.07 -0.11 -0.89 0.02 0.00 0.00 176.35 175.37 2dm3 s THR 20 N -2.47 1.21 -0.06 5.49 2.01 -1.26 -1.33 115.64 119.23 2dm3 s THR 20 Ca 0.32 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2dm3 s THR 20 Cb -0.03 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 71.36 2dm3 s THR 20 CO 0.18 0.39 0.01 -0.69 -0.69 0.00 0.00 174.62 173.81 2dm3 s VAL 21 N 1.17 0.28 0.36 3.82 1.01 -0.81 -5.02 120.40 121.20 2dm3 s VAL 21 Ca -0.04 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 2dm3 s VAL 21 Cb -0.14 -0.43 -0.10 0.00 0.00 0.00 0.00 36.38 35.71 2dm3 s VAL 21 CO -0.03 0.23 1.34 -1.58 0.00 0.00 0.00 175.10 175.06 2dm3 s GLN 22 N 1.79 4.21 0.05 2.72 0.74 -1.26 -2.94 119.66 124.97 2dm3 s GLN 22 Ca 0.02 2.27 -0.35 0.00 0.05 0.00 0.00 55.36 57.35 2dm3 s GLN 22 Cb -0.13 -2.97 -0.14 0.00 1.10 0.00 0.00 33.01 30.88 2dm3 s GLN 22 CO -0.04 -0.33 1.63 -1.91 -0.55 0.00 0.00 175.29 174.10 2dm3 n GLU 23 N 0.56 1.94 -0.41 1.67 2.13 0.52 -1.47 120.64 125.60 2dm3 n GLU 23 Ca 0.01 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2dm3 n GLU 23 Cb 0.42 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.66 2dm3 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm3 n GLY 24 N 3.60 0.77 3.83 8.31 0.00 0.14 -4.56 105.19 117.27 2dm3 n GLY 24 Ca 0.19 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2dm3 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 25 N -0.72 2.31 -0.06 1.61 -0.14 -0.54 -4.63 119.74 117.57 2dm3 s LYS 25 Ca 0.00 -1.85 -0.27 0.00 -1.36 0.00 0.00 55.97 52.50 2dm3 s LYS 25 Cb 0.00 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 34.02 2dm3 s LYS 25 CO 0.00 -0.31 0.85 -1.17 -0.76 0.00 0.00 175.35 173.96 2dm3 s LEU 26 N -4.08 4.31 -0.10 3.17 1.98 -1.26 -3.52 118.68 119.17 2dm3 s LEU 26 Ca 0.39 1.38 0.04 0.00 -2.89 0.00 0.00 54.13 53.05 2dm3 s LEU 26 Cb 0.00 -3.32 0.00 0.00 0.66 0.00 0.00 46.19 43.53 2dm3 s LEU 26 CO 0.23 -0.24 -0.23 0.00 -1.89 0.00 0.00 176.35 174.22 2dm3 s ARG 28 N 0.39 0.73 -0.07 0.00 3.52 -1.26 -1.57 118.95 120.68 2dm3 s ARG 28 Ca -0.18 -0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 2dm3 s ARG 28 Cb -0.18 -0.70 0.03 0.00 -1.56 0.00 0.00 34.95 32.54 2dm3 s ARG 28 CO 0.08 0.16 -0.00 -1.64 -0.81 0.00 0.00 175.30 173.08 2dm3 s MET 29 N -0.08 0.68 -0.15 5.12 -1.94 -1.09 -5.02 119.30 116.81 2dm3 s MET 29 Ca 0.01 0.08 -0.05 0.00 -1.71 0.00 0.00 55.69 54.02 2dm3 s MET 29 Cb -0.05 -1.01 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 2dm3 s MET 29 CO -0.00 -0.30 0.03 -0.51 -0.01 0.00 0.00 175.02 174.23 2dm3 s ASP 30 N 1.94 5.37 -0.12 3.03 1.11 -1.26 -2.26 116.67 124.48 2dm3 s ASP 30 Ca 0.05 0.06 -0.06 0.00 0.18 0.00 0.00 52.55 52.78 2dm3 s ASP 30 Cb -0.12 -1.82 0.05 0.00 1.07 0.00 0.00 42.92 42.10 2dm3 s ASP 30 CO -0.05 0.23 0.28 0.00 1.18 0.00 0.00 175.17 176.80 2dm3 s LYS 32 N 1.56 2.77 0.02 0.00 1.02 -1.19 -2.21 119.74 121.71 2dm3 s LYS 32 Ca -0.07 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.30 2dm3 s LYS 32 Cb -0.10 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2dm3 s LYS 32 CO -0.09 0.53 -0.12 0.54 -0.92 0.00 0.00 175.35 175.29 2dm3 s VAL 33 N -0.49 0.96 0.13 3.17 0.11 -1.00 0.12 120.40 123.40 2dm3 s VAL 33 Ca 0.06 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.38 2dm3 s VAL 33 Cb -0.12 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 2dm3 s VAL 33 CO 0.02 0.06 -0.05 -0.55 -3.33 0.00 0.00 175.10 171.24 2dm3 s SER 34 N -0.84 4.61 0.00 3.54 0.15 -0.27 -4.70 113.70 116.19 2dm3 s SER 34 Ca 0.01 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dm3 s SER 34 Cb -0.07 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 2dm3 s SER 34 CO 0.01 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2dm3 n GLY 35 N 0.38 4.26 2.98 9.45 0.00 -1.26 -2.73 105.19 118.27 2dm3 n GLY 35 Ca -0.12 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 2dm3 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm3 s LEU 36 N 0.00 1.49 0.00 0.99 2.96 -1.25 -3.55 118.68 119.32 2dm3 s LEU 36 Ca 0.00 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2dm3 s LEU 36 Cb 0.00 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.79 2dm3 s LEU 36 CO 0.00 -0.03 0.00 -0.81 -1.32 0.00 0.00 176.35 174.19 2dm3 n PRO 37 N 4.37 0.13 -1.77 0.98 -0.04 -1.26 -3.59 135.00 133.82 2dm3 n PRO 37 Ca -0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2dm3 n PRO 37 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 2dm3 n PRO 37 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dm3 s THR 38 N -0.43 3.07 -0.10 0.52 -4.23 -1.23 -4.86 115.64 108.38 2dm3 s THR 38 Ca 0.00 0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.42 2dm3 s THR 38 Cb 0.00 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 2dm3 s THR 38 CO 0.00 -0.01 1.53 -2.16 -0.54 0.00 0.00 174.62 173.43 2dm3 s PRO 39 N 4.00 4.18 -0.18 3.99 0.04 -1.26 -4.92 135.00 140.86 2dm3 s PRO 39 Ca 0.83 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.58 2dm3 s PRO 39 Cb -0.41 -3.92 -0.00 0.00 0.04 0.00 0.00 34.50 30.21 2dm3 s PRO 39 CO 0.38 -0.82 1.09 0.34 0.04 0.00 0.00 177.00 178.03 2dm3 s ASP 40 N 2.94 7.09 0.28 6.66 -1.08 -1.22 -4.81 116.67 126.52 2dm3 s ASP 40 Ca 0.67 1.51 0.11 0.00 -0.52 0.00 0.00 52.55 54.33 2dm3 s ASP 40 Cb -0.29 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.58 2dm3 s ASP 40 CO 0.25 -0.64 -0.15 -1.48 0.52 0.00 0.00 175.17 173.66 2dm3 s LEU 41 N 2.94 2.73 -0.03 -1.34 2.34 -1.26 -0.79 118.68 123.28 2dm3 s LEU 41 Ca 0.48 -0.94 0.00 0.00 0.06 0.00 0.00 54.13 53.73 2dm3 s LEU 41 Cb -0.18 -1.24 0.03 0.00 -0.56 0.00 0.00 46.19 44.24 2dm3 s LEU 41 CO 0.11 0.03 0.00 -0.44 -1.06 0.00 0.00 176.35 175.00 2dm3 s SER 42 N -3.55 0.36 0.27 1.48 0.01 -1.19 -4.97 113.70 106.11 2dm3 s SER 42 Ca 0.30 -0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.33 2dm3 s SER 42 Cb -0.05 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.90 2dm3 s SER 42 CO 0.16 -0.10 0.81 0.26 0.41 0.00 0.00 173.24 174.78 2dm3 s TRP 43 N 0.97 3.64 -0.06 2.43 0.52 -1.26 -3.38 118.94 121.79 2dm3 s TRP 43 Ca -0.10 1.52 -0.03 0.00 0.02 0.00 0.00 56.10 57.52 2dm3 s TRP 43 Cb -0.13 -2.72 0.04 0.00 -1.15 0.00 0.00 33.47 29.50 2dm3 s TRP 43 CO -0.02 0.27 0.13 -0.65 0.02 0.00 0.00 176.95 176.70 2dm3 s GLN 44 N -2.09 0.04 -0.31 4.98 -0.21 -1.08 -2.93 119.66 118.07 2dm3 s GLN 44 Ca 0.47 0.41 -0.05 0.00 0.02 0.00 0.00 55.36 56.20 2dm3 s GLN 44 Cb -0.17 -0.24 0.03 0.00 1.00 0.00 0.00 33.01 33.63 2dm3 s GLN 44 CO 0.21 -0.22 0.06 -1.17 -2.12 0.00 0.00 175.29 172.05 2dm3 s LEU 45 N 1.60 3.97 -0.96 2.90 2.96 0.24 -1.46 118.68 127.94 2dm3 s LEU 45 Ca -0.04 -0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 52.84 2dm3 s LEU 45 Cb -0.12 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2dm3 s LEU 45 CO -0.05 -0.25 0.83 -0.67 -1.32 0.00 0.00 176.35 174.88 2dm3 n ASP 46 N 4.79 -4.35 -0.47 3.68 -0.08 -1.24 -2.19 116.55 116.69 2dm3 n ASP 46 Ca -0.14 -0.41 -0.06 0.00 -1.51 0.00 0.00 54.79 52.67 2dm3 n ASP 46 Cb 0.46 -3.81 -0.03 0.00 2.34 0.00 0.00 41.12 40.08 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm3 n GLY 47 N -1.47 0.78 3.31 0.27 0.00 -1.26 -4.99 105.19 101.83 2dm3 n GLY 47 Ca -0.05 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 2dm3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 48 N -2.09 1.20 -0.51 1.61 -0.14 -0.93 -5.09 119.74 113.80 2dm3 s LYS 48 Ca 0.00 -1.20 -0.27 0.00 -1.36 0.00 0.00 55.97 53.14 2dm3 s LYS 48 Cb 0.00 -1.52 -0.02 0.00 -1.68 0.00 0.00 37.83 34.62 2dm3 s LYS 48 CO 0.00 0.36 1.79 -1.25 -0.76 0.00 0.00 175.35 175.49 2dm3 s PRO 49 N -1.91 2.94 -0.32 -1.68 0.04 -1.26 0.79 135.00 133.60 2dm3 s PRO 49 Ca 0.08 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 2dm3 s PRO 49 Cb -0.10 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2dm3 s PRO 49 CO 0.05 -2.34 1.29 0.54 0.04 0.00 0.00 177.00 176.58 2dm3 s VAL 50 N 8.02 4.14 -0.02 -0.36 0.11 -1.15 -4.88 120.40 126.26 2dm3 s VAL 50 Ca 0.70 1.27 -0.05 0.00 -2.93 0.00 0.00 61.98 60.97 2dm3 s VAL 50 Cb -0.16 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 2dm3 s VAL 50 CO 0.26 -0.52 0.22 -0.13 -3.33 0.00 0.00 175.10 171.59 2dm3 s ARG 51 N 4.23 3.51 0.13 1.54 1.81 -1.26 -4.78 118.95 124.13 2dm3 s ARG 51 Ca 0.56 -0.16 -0.31 0.00 -1.72 0.00 0.00 55.73 54.10 2dm3 s ARG 51 Cb -0.16 -3.11 -0.08 0.00 -0.45 0.00 0.00 34.95 31.15 2dm3 s ARG 51 CO 0.24 0.69 1.35 -1.25 -0.68 0.00 0.00 175.30 175.64 2dm3 s PRO 52 N -1.65 4.35 0.40 3.54 0.04 -1.26 -4.88 135.00 135.54 2dm3 s PRO 52 Ca 0.25 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.37 2dm3 s PRO 52 Cb -0.13 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2dm3 s PRO 52 CO 0.14 -0.36 0.17 -0.51 0.04 0.00 0.00 177.00 176.47 2dm3 s ASP 53 N 0.87 2.65 0.39 6.66 1.01 0.47 -4.93 116.67 123.78 2dm3 s ASP 53 Ca 0.62 -1.72 0.25 0.00 0.71 0.00 0.00 52.55 52.41 2dm3 s ASP 53 Cb -0.36 0.57 1.37 0.00 1.01 0.00 0.00 42.92 45.51 2dm3 s ASP 53 CO 0.32 -0.99 1.52 -1.20 0.21 0.00 0.00 175.17 175.04 2dm3 n SER 54 N -1.42 0.28 -0.09 0.27 7.64 -1.26 -1.52 113.62 117.51 2dm3 n SER 54 Ca -0.04 1.49 -0.12 0.00 1.01 0.00 0.00 58.87 61.22 2dm3 n SER 54 Cb 0.64 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 2dm3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dm3 n ALA 55 N -2.39 0.63 -2.45 -0.43 0.00 -1.26 -4.81 120.51 109.80 2dm3 n ALA 55 Ca 0.38 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2dm3 n ALA 55 Cb 1.37 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 20.61 2dm3 n ALA 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dm3 s HIS 56 N -2.34 2.50 -0.11 0.00 3.76 -0.58 -2.93 115.29 115.60 2dm3 s HIS 56 Ca -0.22 0.61 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 2dm3 s HIS 56 Cb 0.04 -4.39 -0.01 0.00 1.11 0.00 0.00 32.58 29.33 2dm3 s HIS 56 CO 0.38 -1.76 -0.18 -1.59 -0.85 0.00 0.00 174.74 170.74 2dm3 s LYS 57 N 4.96 3.12 -0.23 1.40 -2.85 -0.03 0.18 119.74 126.29 2dm3 s LYS 57 Ca 0.54 -0.77 -0.06 0.00 -1.00 0.00 0.00 55.97 54.68 2dm3 s LYS 57 Cb -0.11 -2.46 -0.02 0.00 -2.06 0.00 0.00 37.83 33.18 2dm3 s LYS 57 CO 0.30 0.25 0.03 -1.64 0.10 0.00 0.00 175.35 174.40 2dm3 s MET 58 N 0.20 3.60 0.12 1.78 -1.94 -1.26 -1.90 119.30 119.90 2dm3 s MET 58 Ca -0.11 -0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 53.32 2dm3 s MET 58 Cb -0.16 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.43 2dm3 s MET 58 CO 0.06 -0.13 0.33 -0.51 -0.01 0.00 0.00 175.02 174.77 2dm3 s LEU 59 N 1.39 4.29 -0.03 -0.03 1.43 -0.57 -4.98 118.68 120.18 2dm3 s LEU 59 Ca 0.05 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2dm3 s LEU 59 Cb -0.15 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.89 2dm3 s LEU 59 CO 0.02 0.09 -0.05 -0.69 0.23 0.00 0.00 176.35 175.95 2dm3 s VAL 60 N -1.61 0.48 -0.18 -1.59 1.01 -1.26 -2.91 120.40 114.33 2dm3 s VAL 60 Ca 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2dm3 s VAL 60 Cb -0.12 -0.48 0.04 0.00 0.00 0.00 0.00 36.38 35.82 2dm3 s VAL 60 CO 0.25 0.19 -0.07 -0.13 0.00 0.00 0.00 175.10 175.34 2dm3 s ARG 61 N 0.60 1.66 0.16 2.72 0.52 -0.97 -5.02 118.95 118.62 2dm3 s ARG 61 Ca -0.08 -0.67 -0.18 0.00 -0.52 0.00 0.00 55.73 54.28 2dm3 s ARG 61 Cb -0.11 -2.21 0.10 0.00 0.52 0.00 0.00 34.95 33.25 2dm3 s ARG 61 CO -0.00 -0.45 1.22 0.39 0.02 0.00 0.00 175.30 176.48 2dm3 n GLU 62 N 4.79 -0.25 -0.26 3.54 4.71 -1.26 0.88 120.64 132.79 2dm3 n GLU 62 Ca -0.13 1.20 0.11 0.00 -0.01 0.00 0.00 57.16 58.34 2dm3 n GLU 62 Cb 0.47 -1.78 0.23 0.00 -1.01 0.00 0.00 31.44 29.35 2dm3 n GLU 62 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2dm3 n ASN 63 N -5.09 -0.09 0.00 1.62 4.13 -1.26 -4.69 115.26 109.88 2dm3 n ASN 63 Ca 0.06 1.29 0.00 0.00 1.68 0.00 0.00 54.58 57.61 2dm3 n ASN 63 Cb 0.27 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dm3 n GLY 64 N -1.38 0.48 2.87 7.41 0.00 0.25 -5.00 105.19 109.82 2dm3 n GLY 64 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2dm3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm3 s VAL 65 N -0.82 0.99 0.11 1.61 1.01 -1.08 -2.38 120.40 119.83 2dm3 s VAL 65 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2dm3 s VAL 65 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2dm3 s VAL 65 CO 0.00 0.17 0.02 -1.00 0.00 0.00 0.00 175.10 174.29 2dm3 s HIS 66 N 1.69 3.00 0.03 5.22 3.76 -0.94 -2.29 115.29 125.76 2dm3 s HIS 66 Ca 0.02 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 2dm3 s HIS 66 Cb -0.14 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 2dm3 s HIS 66 CO -0.08 0.49 -0.01 -1.12 -0.85 0.00 0.00 174.74 173.17 2dm3 s SER 67 N -2.46 0.29 -0.28 1.40 0.01 -1.15 -2.62 113.70 108.90 2dm3 s SER 67 Ca 0.27 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 2dm3 s SER 67 Cb -0.11 0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.35 2dm3 s SER 67 CO 0.19 -0.40 0.08 -0.22 0.41 0.00 0.00 173.24 173.30 2dm3 s LEU 68 N -1.90 1.84 -0.02 2.44 2.96 -0.96 -1.52 118.68 121.53 2dm3 s LEU 68 Ca -0.09 -1.38 -0.01 0.00 -0.22 0.00 0.00 54.13 52.44 2dm3 s LEU 68 Cb -0.04 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 2dm3 s LEU 68 CO -0.04 -0.38 0.05 -0.63 -1.32 0.00 0.00 176.35 174.03 2dm3 s ILE 69 N 1.71 4.55 -0.04 6.68 1.01 -0.80 -2.69 121.20 131.63 2dm3 s ILE 69 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2dm3 s ILE 69 Cb -0.17 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.29 2dm3 s ILE 69 CO -0.21 0.41 0.02 -0.63 0.00 0.00 0.00 174.94 174.53 2dm3 s ILE 70 N -1.11 0.15 -0.29 2.92 1.01 -0.61 -0.85 121.20 122.42 2dm3 s ILE 70 Ca 0.20 0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 2dm3 s ILE 70 Cb -0.12 -0.30 0.13 0.00 0.01 0.00 0.00 42.46 42.19 2dm3 s ILE 70 CO 0.10 0.18 0.81 -0.70 0.00 0.00 0.00 174.94 175.34 2dm3 s GLU 71 N 1.52 0.49 0.29 2.79 -6.30 -1.15 -2.21 118.70 114.13 2dm3 s GLU 71 Ca -0.03 1.06 -0.05 0.00 -2.50 0.00 0.00 54.97 53.45 2dm3 s GLU 71 Cb -0.13 0.45 0.07 0.00 0.00 0.00 0.00 34.13 34.52 2dm3 s GLU 71 CO -0.03 -0.14 0.25 -0.35 0.02 0.00 0.00 175.26 175.02 2dm3 n PRO 72 N 4.75 -1.52 -4.87 4.30 -0.04 -1.26 -4.35 135.00 132.01 2dm3 n PRO 72 Ca -0.14 -0.41 -0.26 0.00 -0.04 0.00 0.00 63.50 62.65 2dm3 n PRO 72 Cb 0.54 -0.38 -0.15 0.00 -0.04 0.00 0.00 33.50 33.46 2dm3 n PRO 72 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dm3 s VAL 73 N -1.46 1.56 0.47 0.52 1.01 -1.23 -4.87 120.40 116.40 2dm3 s VAL 73 Ca 0.17 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2dm3 s VAL 73 Cb -0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 2dm3 s VAL 73 CO 0.13 0.37 0.05 0.42 0.00 0.00 0.00 175.10 176.07 2dm3 s THR 74 N -0.54 1.03 0.26 3.92 -4.23 -1.26 0.24 115.64 115.05 2dm3 s THR 74 Ca 0.07 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.93 2dm3 s THR 74 Cb -0.08 -2.28 0.38 0.00 1.34 0.00 0.00 72.50 71.86 2dm3 s THR 74 CO -0.00 0.00 2.07 0.28 -0.54 0.00 0.00 174.62 176.43 2dm3 h SER 75 N 1.53 0.00 0.44 3.99 0.02 -1.98 -2.36 113.55 115.20 2dm3 h SER 75 Ca -0.41 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.50 2dm3 h SER 75 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2dm3 h SER 75 CO 0.69 0.03 -0.20 -0.09 -1.14 0.00 0.00 176.83 176.11 2dm3 h ARG 76 N 0.00 0.00 0.00 3.45 9.65 -2.02 -1.80 114.38 123.67 2dm3 h ARG 76 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2dm3 h ARG 76 Cb 0.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 2dm3 h ARG 76 CO 0.00 0.20 0.00 -3.47 2.80 0.00 0.00 179.97 179.51 2dm3 n ASP 77 N -3.77 0.71 -4.66 -3.80 2.03 -0.89 -4.67 116.55 101.51 2dm3 n ASP 77 Ca -0.02 0.67 -0.43 0.00 0.52 0.00 0.00 54.79 55.54 2dm3 n ASP 77 Cb 0.31 -0.82 -0.02 0.00 -0.72 0.00 0.00 41.12 39.87 2dm3 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dm3 s ALA 78 N -3.33 3.66 0.00 -1.67 0.00 -0.68 -4.91 121.76 114.83 2dm3 s ALA 78 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2dm3 s ALA 78 Cb 0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2dm3 s ALA 78 CO 0.41 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2dm3 n GLY 79 N 3.59 -1.85 3.48 0.00 0.00 -1.22 -5.01 105.19 104.17 2dm3 n GLY 79 Ca 0.14 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2dm3 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm3 s ILE 80 N -2.57 5.19 -0.24 -0.61 -1.09 -1.26 -3.27 121.20 117.35 2dm3 s ILE 80 Ca 0.00 -0.51 -0.26 0.00 -2.23 0.00 0.00 60.65 57.65 2dm3 s ILE 80 Cb 0.00 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 2dm3 s ILE 80 CO 0.00 -0.18 0.91 -0.31 -1.23 0.00 0.00 174.94 174.12 2dm3 s TYR 81 N 1.68 3.32 -0.30 3.97 1.51 -1.20 -3.67 117.35 122.66 2dm3 s TYR 81 Ca 0.05 1.25 -0.06 0.00 -1.01 0.00 0.00 57.07 57.30 2dm3 s TYR 81 Cb -0.18 -3.14 0.02 0.00 -0.11 0.00 0.00 41.96 38.55 2dm3 s TYR 81 CO 0.10 -0.44 0.07 0.99 -1.11 0.00 0.00 175.55 175.16 2dm3 s THR 82 N 2.98 3.73 -0.02 -0.71 2.01 -0.53 -3.46 115.64 119.63 2dm3 s THR 82 Ca 0.38 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2dm3 s THR 82 Cb -0.15 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2dm3 s THR 82 CO 0.07 0.01 -0.13 0.00 -0.69 0.00 0.00 174.62 173.88 2dm3 s ILE 84 N -0.82 0.65 -0.38 0.00 1.09 -1.22 -2.39 121.20 118.13 2dm3 s ILE 84 Ca 0.13 -0.25 -0.15 0.00 -1.10 0.00 0.00 60.65 59.28 2dm3 s ILE 84 Cb -0.11 -0.87 0.00 0.00 -1.06 0.00 0.00 42.46 40.42 2dm3 s ILE 84 CO 0.03 0.14 0.36 0.00 -0.10 0.00 0.00 174.94 175.36 2dm3 s ALA 85 N 1.84 3.47 -0.28 9.38 0.00 0.20 -3.19 121.76 133.19 2dm3 s ALA 85 Ca 0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 2dm3 s ALA 85 Cb -0.14 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.13 2dm3 s ALA 85 CO -0.07 -1.27 -0.02 0.99 0.00 0.00 0.00 175.76 175.39 2dm3 s THR 86 N 1.96 3.02 0.32 0.00 2.01 0.03 0.20 115.64 123.18 2dm3 s THR 86 Ca 0.10 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2dm3 s THR 86 Cb -0.17 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.70 2dm3 s THR 86 CO 0.12 0.04 0.00 -0.46 -0.69 0.00 0.00 174.62 173.63 2dm3 n ASN 87 N 4.66 2.87 -0.26 3.53 6.94 -0.49 -3.42 115.26 129.10 2dm3 n ASN 87 Ca -0.15 -2.39 0.01 0.00 -0.02 0.00 0.00 54.58 52.04 2dm3 n ASN 87 Cb 0.45 0.22 0.14 0.00 -2.36 0.00 0.00 39.78 38.23 2dm3 n ASN 87 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2dm3 h ARG 88 N 0.00 0.64 0.31 -3.83 -0.00 -1.89 -3.03 114.38 106.58 2dm3 h ARG 88 Ca -0.26 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.16 2dm3 h ARG 88 Cb 0.80 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 30.62 2dm3 h ARG 88 CO 0.44 0.42 -0.20 0.00 0.00 0.00 0.00 179.97 180.63 2dm3 h ALA 89 N 1.43 -1.04 -3.00 0.04 0.00 -1.83 -3.49 119.26 111.36 2dm3 h ALA 89 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dm3 h ALA 89 Cb 0.35 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dm3 h ALA 89 CO -0.25 -1.03 0.00 0.41 0.00 0.00 0.00 179.25 178.38 2dm3 n GLY 90 N -1.25 2.60 3.46 0.00 0.00 -1.15 -4.97 105.19 103.88 2dm3 n GLY 90 Ca -0.06 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2dm3 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dm3 s GLN 91 N 3.58 0.97 0.10 1.61 0.74 -1.26 -1.39 119.66 124.02 2dm3 s GLN 91 Ca 0.00 0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 2dm3 s GLN 91 Cb 0.00 0.45 -0.02 0.00 1.10 0.00 0.00 33.01 34.54 2dm3 s GLN 91 CO 0.00 -0.30 0.11 1.21 -0.55 0.00 0.00 175.29 175.76 2dm3 s ASN 92 N -1.19 0.26 0.22 6.67 2.47 0.13 -4.86 114.94 118.64 2dm3 s ASN 92 Ca -0.11 -0.94 -0.15 0.00 0.42 0.00 0.00 52.86 52.08 2dm3 s ASN 92 Cb -0.01 0.31 0.01 0.00 -1.45 0.00 0.00 41.25 40.10 2dm3 s ASN 92 CO 0.09 -0.72 0.50 -0.94 -3.72 0.00 0.00 177.10 172.30 2dm3 s SER 93 N -2.95 -0.16 -0.25 -4.21 1.04 -1.26 0.58 113.70 106.50 2dm3 s SER 93 Ca 0.13 -0.72 -0.26 0.00 0.48 0.00 0.00 55.95 55.58 2dm3 s SER 93 Cb 0.06 0.58 0.10 0.00 0.10 0.00 0.00 66.02 66.86 2dm3 s SER 93 CO -0.05 -1.10 0.88 0.72 0.98 0.00 0.00 173.24 174.67 2dm3 s PHE 94 N -3.95 -0.60 0.15 5.02 -0.71 -1.01 -5.01 117.98 111.87 2dm3 s PHE 94 Ca 0.16 1.42 0.06 0.00 -1.04 0.00 0.00 56.93 57.52 2dm3 s PHE 94 Cb -0.01 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 2dm3 s PHE 94 CO 0.03 -0.32 0.02 -1.54 -1.34 0.00 0.00 175.22 172.07 2dm3 s SER 95 N 0.08 4.96 0.11 1.98 1.04 -1.26 -3.25 113.70 117.37 2dm3 s SER 95 Ca 0.01 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.02 2dm3 s SER 95 Cb -0.04 -1.14 0.02 0.00 0.10 0.00 0.00 66.02 64.96 2dm3 s SER 95 CO -0.02 0.11 0.31 -1.48 0.98 0.00 0.00 173.24 173.15 2dm3 s LEU 96 N -2.78 0.84 0.07 2.42 0.05 -1.22 -4.97 118.68 113.09 2dm3 s LEU 96 Ca 0.27 -0.47 0.08 0.00 0.05 0.00 0.00 54.13 54.06 2dm3 s LEU 96 Cb -0.10 1.49 -0.03 0.00 -2.05 0.00 0.00 46.19 45.50 2dm3 s LEU 96 CO 0.19 -0.80 -0.21 -0.70 -0.55 0.00 0.00 176.35 174.28 2dm3 s GLU 97 N -3.83 1.86 -0.12 1.48 2.56 -1.14 -3.24 118.70 116.28 2dm3 s GLU 97 Ca 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 54.97 53.88 2dm3 s GLU 97 Cb 0.03 -2.09 0.05 0.00 2.00 0.00 0.00 34.13 34.12 2dm3 s GLU 97 CO -0.11 0.51 0.10 -1.17 -0.56 0.00 0.00 175.26 174.03 2dm3 s LEU 98 N -1.61 0.17 0.05 2.70 2.96 -1.20 -3.30 118.68 118.45 2dm3 s LEU 98 Ca 0.15 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.75 2dm3 s LEU 98 Cb -0.10 -0.08 -0.05 0.00 0.50 0.00 0.00 46.19 46.45 2dm3 s LEU 98 CO 0.06 -0.30 0.36 -0.69 -1.32 0.00 0.00 176.35 174.46 2dm3 s VAL 99 N 2.19 5.15 -0.11 1.68 1.01 -0.44 -3.40 120.40 126.48 2dm3 s VAL 99 Ca 0.04 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 2dm3 s VAL 99 Cb -0.14 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2dm3 s VAL 99 CO -0.07 0.35 -0.07 -0.69 0.00 0.00 0.00 175.10 174.63 2dm3 s VAL 100 N -1.32 0.96 -0.29 2.92 1.01 -1.26 -1.92 120.40 120.50 2dm3 s VAL 100 Ca 0.30 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 2dm3 s VAL 100 Cb -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2dm3 s VAL 100 CO 0.17 0.36 0.46 0.00 0.00 0.00 0.00 175.10 176.09 2dm3 s ALA 101 N 1.71 3.55 0.52 5.51 0.00 -1.15 -4.85 121.76 127.05 2dm3 s ALA 101 Ca 0.05 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 2dm3 s ALA 101 Cb -0.13 -2.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 2dm3 s ALA 101 CO -0.08 -0.83 1.33 0.00 0.00 0.00 0.00 175.76 176.19 2dm3 s ALA 102 N 2.24 2.90 0.11 0.00 0.00 -1.26 -0.35 121.76 125.40 2dm3 s ALA 102 Ca 0.18 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 53.11 2dm3 s ALA 102 Cb -0.16 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 2dm3 s ALA 102 CO 0.10 -1.22 1.58 -0.22 0.00 0.00 0.00 175.76 176.00 2dm3 h LYS 103 N 1.68 -0.62 -3.22 0.00 3.11 -1.95 -3.28 116.57 112.28 2dm3 h LYS 103 Ca -0.51 0.04 -0.67 0.00 -2.81 0.00 0.00 60.65 56.70 2dm3 h LYS 103 Cb 1.29 0.14 -0.38 0.00 -1.00 0.00 0.00 32.23 32.28 2dm3 h LYS 103 CO 0.58 -0.41 -0.28 -1.21 -2.81 0.00 0.00 179.45 175.32 2dm3 s GLU 104 N -5.87 2.97 0.31 1.90 2.02 -1.26 -5.07 118.70 113.68 2dm3 s GLU 104 Ca -0.16 -3.32 -0.30 0.00 0.02 0.00 0.00 54.97 51.21 2dm3 s GLU 104 Cb 0.08 -3.75 -0.11 0.00 0.10 0.00 0.00 34.13 30.44 2dm3 s GLU 104 CO 0.63 -1.27 1.60 0.45 0.02 0.00 0.00 175.26 176.68 2dm3 n SER 105 N 2.17 3.92 0.00 -0.19 2.88 -1.24 -4.81 113.62 116.35 2dm3 n SER 105 Ca 0.21 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 2dm3 n SER 105 Cb 0.36 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 2dm3 n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm3 n GLY 106 N 1.98 0.61 3.66 0.46 0.00 -1.26 -5.03 105.19 105.62 2dm3 n GLY 106 Ca 0.08 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 2dm3 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm3 s PRO 107 N -0.66 4.21 -0.30 1.61 0.04 -1.26 -4.98 135.00 133.65 2dm3 s PRO 107 Ca 0.00 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 2dm3 s PRO 107 Cb 0.00 -3.88 0.15 0.00 0.04 0.00 0.00 34.50 30.81 2dm3 s PRO 107 CO 0.00 -0.78 0.64 0.45 0.04 0.00 0.00 177.00 177.35 2dm3 s SER 108 N 2.78 -1.21 -0.12 6.66 0.15 -1.26 -5.15 113.70 115.55 2dm3 s SER 108 Ca 0.67 1.37 -0.01 0.00 0.70 0.00 0.00 55.95 58.68 2dm3 s SER 108 Cb -0.30 2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 66.25 2dm3 s SER 108 CO 0.25 -0.23 -0.07 -0.55 1.20 0.00 0.00 173.24 173.84 2dm3 s SER 109 N 2.88 4.54 0.00 5.45 0.15 -1.26 -5.21 113.70 120.25 2dm3 s SER 109 Ca 0.02 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2dm3 s SER 109 Cb -0.13 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2dm3 s SER 109 CO -0.20 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.09