#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 6.93 -1.46 1.61 0.01 -1.26 -4.03 113.70 115.49 2dm3 s SER 2 Ca 0.00 1.11 -0.08 0.00 1.31 0.00 0.00 55.95 58.29 2dm3 s SER 2 Cb 0.00 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.90 2dm3 s SER 2 CO 0.00 -0.08 0.81 -0.24 0.41 0.00 0.00 173.24 174.15 2dm3 n SER 3 N 3.69 -3.03 -3.09 2.44 2.88 -1.26 -4.92 113.62 110.34 2dm3 n SER 3 Ca -0.03 -0.84 -0.21 0.00 -1.33 0.00 0.00 58.87 56.46 2dm3 n SER 3 Cb 0.51 -3.75 -0.03 0.00 -0.75 0.00 0.00 64.21 60.19 2dm3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm3 n GLY 4 N -1.67 4.32 3.24 0.46 0.00 -1.26 -5.04 105.19 105.25 2dm3 n GLY 4 Ca -0.10 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 2dm3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm3 s SER 5 N -2.82 5.84 0.42 1.61 0.01 -1.26 -4.94 113.70 112.55 2dm3 s SER 5 Ca 0.43 -1.91 0.22 0.00 1.31 0.00 0.00 55.95 56.01 2dm3 s SER 5 Cb 0.33 -2.06 1.20 0.00 0.21 0.00 0.00 66.02 65.70 2dm3 s SER 5 CO -0.10 -0.73 1.75 0.77 0.41 0.00 0.00 173.24 175.33 2dm3 h SER 6 N 8.54 0.37 -3.94 2.44 4.64 -1.96 -3.47 113.55 120.17 2dm3 h SER 6 Ca -0.23 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2dm3 h SER 6 Cb 1.08 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2dm3 h SER 6 CO 0.90 0.03 -0.55 0.61 -0.87 0.00 0.00 176.83 176.95 2dm3 n GLY 7 N -1.51 -3.59 3.43 -0.77 0.00 -1.26 -5.02 105.19 96.47 2dm3 n GLY 7 Ca 0.28 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.49 2.34 0.26 1.61 0.08 -1.23 -4.90 117.98 111.65 2dm3 s PHE 8 Ca 0.00 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.40 2dm3 s PHE 8 Cb 0.00 -1.19 -0.09 0.00 -0.57 0.00 0.00 43.02 41.17 2dm3 s PHE 8 CO 0.00 0.45 1.09 0.50 -0.10 0.00 0.00 175.22 177.16 2dm3 s ARG 9 N -2.50 4.65 -0.53 0.44 3.52 -1.26 -3.55 118.95 119.73 2dm3 s ARG 9 Ca 0.19 1.77 -0.27 0.00 -0.13 0.00 0.00 55.73 57.29 2dm3 s ARG 9 Cb -0.09 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2dm3 s ARG 9 CO 0.09 0.22 1.81 -1.25 -0.81 0.00 0.00 175.30 175.36 2dm3 s PRO 10 N -1.24 2.86 -0.03 5.12 0.04 -1.24 -4.45 135.00 136.06 2dm3 s PRO 10 Ca 0.45 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.33 2dm3 s PRO 10 Cb -0.31 -4.32 0.01 0.00 0.04 0.00 0.00 34.50 29.92 2dm3 s PRO 10 CO 0.39 -2.44 -0.06 -1.58 0.04 0.00 0.00 177.00 173.35 2dm3 s HIS 11 N 8.30 0.70 -0.43 0.56 2.46 -1.13 -3.84 115.29 121.91 2dm3 s HIS 11 Ca 0.70 -0.17 -0.29 0.00 0.47 0.00 0.00 55.06 55.78 2dm3 s HIS 11 Cb -0.15 -0.55 0.03 0.00 -0.13 0.00 0.00 32.58 31.78 2dm3 s HIS 11 CO 0.25 -0.10 1.09 -0.06 -2.47 0.00 0.00 174.74 173.45 2dm3 s PHE 12 N 0.39 2.92 0.02 3.88 0.08 -1.26 -2.16 117.98 121.85 2dm3 s PHE 12 Ca -0.05 0.81 -0.19 0.00 0.12 0.00 0.00 56.93 57.62 2dm3 s PHE 12 Cb -0.09 -4.17 -0.22 0.00 -0.57 0.00 0.00 43.02 37.97 2dm3 s PHE 12 CO 0.00 -1.11 1.14 -0.07 -0.10 0.00 0.00 175.22 175.08 2dm3 h LEU 13 N 10.83 0.58 -7.77 -0.37 3.38 -1.84 -3.43 115.31 116.68 2dm3 h LEU 13 Ca -0.22 -0.72 -0.61 0.00 0.09 0.00 0.00 57.88 56.41 2dm3 h LEU 13 Cb 1.06 -0.17 -0.37 0.00 0.09 0.00 0.00 40.66 41.27 2dm3 h LEU 13 CO 1.09 1.22 -0.81 -1.10 0.09 0.00 0.00 178.44 178.93 2dm3 s GLN 14 N -3.35 1.98 0.06 1.13 -0.21 -1.25 -5.04 119.66 112.97 2dm3 s GLN 14 Ca -0.13 -0.79 0.09 0.00 0.02 0.00 0.00 55.36 54.55 2dm3 s GLN 14 Cb 0.04 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.67 2dm3 s GLN 14 CO 0.83 -0.42 -0.24 0.00 -2.12 0.00 0.00 175.29 173.34 2dm3 s ALA 15 N 1.43 2.08 1.17 6.09 0.00 -1.26 -2.85 121.76 128.41 2dm3 s ALA 15 Ca -0.01 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 2dm3 s ALA 15 Cb -0.16 -0.40 0.21 0.00 0.00 0.00 0.00 23.12 22.77 2dm3 s ALA 15 CO -0.08 0.48 0.75 -0.35 0.00 0.00 0.00 175.76 176.56 2dm3 n PRO 16 N 1.64 -2.48 0.00 0.00 -0.04 -1.26 -5.10 135.00 127.75 2dm3 n PRO 16 Ca -0.17 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 2dm3 n PRO 16 Cb 0.53 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -2.50 5.40 3.57 0.55 0.00 -1.26 -4.99 105.19 105.95 2dm3 n GLY 17 Ca 0.10 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 1.00 6.33 0.21 1.61 1.47 -1.25 -4.34 116.67 121.69 2dm3 s ASP 18 Ca 0.00 -0.14 0.05 0.00 1.18 0.00 0.00 52.55 53.64 2dm3 s ASP 18 Cb 0.00 -2.55 -0.04 0.00 -0.34 0.00 0.00 42.92 39.99 2dm3 s ASP 18 CO 0.00 -1.62 0.21 -0.76 0.68 0.00 0.00 175.17 173.68 2dm3 s LEU 19 N 5.25 3.96 -0.12 2.11 1.43 -1.19 -4.99 118.68 125.13 2dm3 s LEU 19 Ca 0.39 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2dm3 s LEU 19 Cb -0.08 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2dm3 s LEU 19 CO 0.21 0.01 -0.10 -0.89 0.23 0.00 0.00 176.35 175.81 2dm3 s THR 20 N -1.92 1.20 -0.03 5.49 2.01 -1.26 -1.86 115.64 119.26 2dm3 s THR 20 Ca 0.33 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 2dm3 s THR 20 Cb -0.09 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.27 2dm3 s THR 20 CO 0.26 0.40 0.04 -0.69 -0.69 0.00 0.00 174.62 173.94 2dm3 s VAL 21 N 1.57 -0.06 0.58 3.82 1.01 -0.94 -5.04 120.40 121.34 2dm3 s VAL 21 Ca 0.04 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 2dm3 s VAL 21 Cb -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2dm3 s VAL 21 CO -0.08 0.15 1.23 -1.58 0.00 0.00 0.00 175.10 174.82 2dm3 s GLN 22 N 1.75 3.00 0.44 2.72 0.74 -1.26 -3.25 119.66 123.80 2dm3 s GLN 22 Ca -0.00 1.90 -0.24 0.00 0.05 0.00 0.00 55.36 57.07 2dm3 s GLN 22 Cb -0.12 -1.99 -0.10 0.00 1.10 0.00 0.00 33.01 31.90 2dm3 s GLN 22 CO -0.03 -1.20 1.13 -1.91 -0.55 0.00 0.00 175.29 172.73 2dm3 n GLU 23 N -1.47 1.57 -2.03 1.67 2.13 0.63 -2.74 120.64 120.40 2dm3 n GLU 23 Ca 0.13 0.56 -0.03 0.00 0.66 0.00 0.00 57.16 58.48 2dm3 n GLU 23 Cb 0.49 -2.22 -0.00 0.00 0.27 0.00 0.00 31.44 29.98 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 1.02 0.25 3.45 8.31 0.00 0.17 -4.44 105.19 113.96 2dm3 n GLY 24 Ca 0.09 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.10 1.67 -0.11 1.61 -0.14 -1.11 -4.68 119.74 112.88 2dm3 s LYS 25 Ca 0.00 -1.93 -0.22 0.00 -1.36 0.00 0.00 55.97 52.46 2dm3 s LYS 25 Cb 0.00 -0.85 -0.03 0.00 -1.68 0.00 0.00 37.83 35.27 2dm3 s LYS 25 CO 0.00 -0.21 0.65 -1.17 -0.76 0.00 0.00 175.35 173.86 2dm3 s LEU 26 N -3.50 4.26 -0.34 3.17 1.98 -1.26 -2.68 118.68 120.32 2dm3 s LEU 26 Ca 0.36 1.03 0.03 0.00 -2.89 0.00 0.00 54.13 52.65 2dm3 s LEU 26 Cb 0.08 -2.97 0.10 0.00 0.66 0.00 0.00 46.19 44.06 2dm3 s LEU 26 CO 0.15 -0.14 0.05 0.00 -1.89 0.00 0.00 176.35 174.52 2dm3 s ARG 28 N 0.97 3.54 -0.10 0.00 0.52 -1.26 -1.79 118.95 120.83 2dm3 s ARG 28 Ca 0.08 -0.21 -0.08 0.00 -0.52 0.00 0.00 55.73 55.00 2dm3 s ARG 28 Cb -0.20 -2.97 0.04 0.00 0.52 0.00 0.00 34.95 32.34 2dm3 s ARG 28 CO -0.07 0.56 0.26 -1.64 0.02 0.00 0.00 175.30 174.44 2dm3 s MET 29 N -2.39 0.27 -0.09 3.54 -1.94 -1.22 -5.01 119.30 112.46 2dm3 s MET 29 Ca 0.36 0.45 0.03 0.00 -1.71 0.00 0.00 55.69 54.81 2dm3 s MET 29 Cb -0.13 0.03 -0.02 0.00 2.01 0.00 0.00 34.83 36.73 2dm3 s MET 29 CO 0.24 -0.09 -0.17 0.16 -0.01 0.00 0.00 175.02 175.14 2dm3 s ASP 30 N 0.64 3.71 -0.07 3.03 -4.77 -1.26 -2.87 116.67 115.08 2dm3 s ASP 30 Ca -0.04 -0.36 -0.04 0.00 -3.30 0.00 0.00 52.55 48.81 2dm3 s ASP 30 Cb -0.05 -1.22 0.03 0.00 -1.09 0.00 0.00 42.92 40.59 2dm3 s ASP 30 CO -0.04 0.23 0.16 0.00 0.70 0.00 0.00 175.17 176.22 2dm3 s LYS 32 N 0.85 2.14 -0.03 0.00 2.36 -1.13 -1.68 119.74 122.25 2dm3 s LYS 32 Ca -0.06 -0.90 -0.01 0.00 -2.55 0.00 0.00 55.97 52.45 2dm3 s LYS 32 Cb -0.08 -2.01 0.03 0.00 -1.05 0.00 0.00 37.83 34.72 2dm3 s LYS 32 CO -0.04 0.51 0.03 0.54 1.55 0.00 0.00 175.35 177.93 2dm3 s VAL 33 N -0.50 0.03 0.04 4.02 0.11 -0.64 -2.24 120.40 121.22 2dm3 s VAL 33 Ca 0.07 0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 59.17 2dm3 s VAL 33 Cb -0.11 -0.19 -0.06 0.00 -1.53 0.00 0.00 36.38 34.49 2dm3 s VAL 33 CO -0.00 0.14 0.53 -0.55 -3.33 0.00 0.00 175.10 171.89 2dm3 s SER 34 N 1.43 6.98 0.00 3.54 0.15 -0.92 -4.45 113.70 120.44 2dm3 s SER 34 Ca -0.04 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2dm3 s SER 34 Cb -0.13 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2dm3 s SER 34 CO -0.03 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2dm3 n GLY 35 N 1.83 2.57 2.79 9.45 0.00 -1.26 -2.85 105.19 117.73 2dm3 n GLY 35 Ca -0.11 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 0.81 0.00 0.99 0.20 -1.23 -3.75 118.68 115.69 2dm3 s LEU 36 Ca 0.00 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.76 2dm3 s LEU 36 Cb 0.00 -0.36 0.00 0.00 -0.43 0.00 0.00 46.19 45.40 2dm3 s LEU 36 CO 0.00 -0.15 0.00 -0.81 -0.29 0.00 0.00 176.35 175.10 2dm3 n PRO 37 N 4.73 -0.82 -1.68 0.98 -0.04 -1.26 -3.57 135.00 133.35 2dm3 n PRO 37 Ca -0.14 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.83 2dm3 n PRO 37 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 2dm3 n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2dm3 n THR 38 N -2.31 0.44 -2.21 0.52 -1.04 -1.25 -4.79 114.28 103.65 2dm3 n THR 38 Ca 0.00 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 2dm3 n THR 38 Cb 0.00 -1.74 -0.03 0.00 -1.82 0.00 0.00 70.33 66.74 2dm3 n THR 38 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2dm3 s PRO 39 N 3.40 4.36 -0.25 -2.82 0.04 -1.26 -4.92 135.00 133.54 2dm3 s PRO 39 Ca 0.91 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.75 2dm3 s PRO 39 Cb -0.73 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 2dm3 s PRO 39 CO 0.50 -0.35 0.79 0.34 0.04 0.00 0.00 177.00 178.32 2dm3 s ASP 40 N 0.81 6.77 0.06 6.66 -1.08 -1.02 -4.82 116.67 124.05 2dm3 s ASP 40 Ca 0.61 0.95 0.08 0.00 -0.52 0.00 0.00 52.55 53.67 2dm3 s ASP 40 Cb -0.36 -2.42 -0.03 0.00 -1.46 0.00 0.00 42.92 38.66 2dm3 s ASP 40 CO 0.33 -0.50 -0.21 -1.48 0.52 0.00 0.00 175.17 173.83 2dm3 s LEU 41 N 2.79 2.20 -0.00 -1.34 2.34 -1.26 0.23 118.68 123.65 2dm3 s LEU 41 Ca 0.33 -0.57 0.05 0.00 0.06 0.00 0.00 54.13 54.00 2dm3 s LEU 41 Cb -0.15 -0.97 -0.01 0.00 -0.56 0.00 0.00 46.19 44.49 2dm3 s LEU 41 CO 0.08 0.14 -0.16 -0.55 -1.06 0.00 0.00 176.35 174.79 2dm3 s SER 42 N -1.39 1.93 0.01 1.48 0.15 -1.22 -4.94 113.70 109.73 2dm3 s SER 42 Ca 0.08 -0.34 -0.23 0.00 0.70 0.00 0.00 55.95 56.16 2dm3 s SER 42 Cb -0.09 -0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.97 2dm3 s SER 42 CO 0.03 0.18 0.69 0.26 1.20 0.00 0.00 173.24 175.59 2dm3 s TRP 43 N -0.48 3.69 -0.10 3.44 0.52 -1.26 -3.27 118.94 121.48 2dm3 s TRP 43 Ca 0.06 1.33 0.01 0.00 0.02 0.00 0.00 56.10 57.52 2dm3 s TRP 43 Cb -0.07 -2.73 0.02 0.00 -1.15 0.00 0.00 33.47 29.54 2dm3 s TRP 43 CO -0.00 0.28 -0.12 -0.65 0.02 0.00 0.00 176.95 176.48 2dm3 s GLN 44 N -0.01 1.89 -0.30 4.98 1.11 -1.25 -2.32 119.66 123.76 2dm3 s GLN 44 Ca 0.35 -0.43 -0.01 0.00 0.01 0.00 0.00 55.36 55.28 2dm3 s GLN 44 Cb -0.19 -1.69 0.05 0.00 -1.01 0.00 0.00 33.01 30.18 2dm3 s GLN 44 CO 0.20 -0.11 -0.01 -1.17 0.01 0.00 0.00 175.29 174.21 2dm3 s LEU 45 N 1.14 3.89 -1.10 2.90 2.96 0.11 -2.34 118.68 126.24 2dm3 s LEU 45 Ca -0.05 -1.34 -0.06 0.00 -0.22 0.00 0.00 54.13 52.46 2dm3 s LEU 45 Cb -0.14 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.87 2dm3 s LEU 45 CO -0.03 -0.26 0.80 -0.67 -1.32 0.00 0.00 176.35 174.87 2dm3 n ASP 46 N 4.58 -5.34 -1.66 3.68 2.03 -1.24 -2.74 116.55 115.85 2dm3 n ASP 46 Ca -0.13 -0.37 -0.10 0.00 0.52 0.00 0.00 54.79 54.71 2dm3 n ASP 46 Cb 0.43 -4.01 0.02 0.00 -0.72 0.00 0.00 41.12 36.84 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dm3 n GLY 47 N -1.59 0.20 3.20 0.27 0.00 -1.26 -5.04 105.19 100.97 2dm3 n GLY 47 Ca -0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.28 0.47 -0.62 1.61 1.02 -1.11 -5.11 119.74 110.72 2dm3 s LYS 48 Ca 0.19 0.16 -0.26 0.00 0.02 0.00 0.00 55.97 56.08 2dm3 s LYS 48 Cb -0.08 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2dm3 s LYS 48 CO 0.24 -0.09 1.87 -1.25 -0.92 0.00 0.00 175.35 175.19 2dm3 s PRO 49 N -0.44 2.62 0.18 -1.68 0.04 -1.26 0.08 135.00 134.53 2dm3 s PRO 49 Ca -0.06 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.25 2dm3 s PRO 49 Cb -0.04 -4.42 -0.09 0.00 0.04 0.00 0.00 34.50 30.00 2dm3 s PRO 49 CO 0.02 -2.77 1.38 0.54 0.04 0.00 0.00 177.00 176.21 2dm3 s VAL 50 N 9.13 3.09 0.01 -0.36 0.11 -0.98 -4.94 120.40 126.46 2dm3 s VAL 50 Ca 0.67 0.85 0.04 0.00 -2.93 0.00 0.00 61.98 60.61 2dm3 s VAL 50 Cb -0.12 -3.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2dm3 s VAL 50 CO 0.20 0.10 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.84 2dm3 s ARG 51 N 0.33 2.43 0.44 1.54 0.52 -1.26 -4.78 118.95 118.17 2dm3 s ARG 51 Ca 0.61 -0.78 -0.24 0.00 -0.52 0.00 0.00 55.73 54.80 2dm3 s ARG 51 Cb -0.38 -2.41 -0.08 0.00 0.52 0.00 0.00 34.95 32.60 2dm3 s ARG 51 CO 0.36 0.59 1.17 -1.25 0.02 0.00 0.00 175.30 176.19 2dm3 s PRO 52 N -1.34 3.84 0.30 3.54 0.04 -1.26 -4.89 135.00 135.23 2dm3 s PRO 52 Ca 0.16 1.81 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 2dm3 s PRO 52 Cb -0.11 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2dm3 s PRO 52 CO 0.06 -0.49 0.48 0.16 0.04 0.00 0.00 177.00 177.25 2dm3 s ASP 53 N -1.28 0.39 0.29 6.66 -4.77 0.26 -4.91 116.67 113.30 2dm3 s ASP 53 Ca 0.62 -1.23 0.18 0.00 -3.30 0.00 0.00 52.55 48.81 2dm3 s ASP 53 Cb -0.29 0.63 1.03 0.00 -1.09 0.00 0.00 42.92 43.20 2dm3 s ASP 53 CO 0.36 -1.24 1.18 -1.20 0.70 0.00 0.00 175.17 174.97 2dm3 n SER 54 N -0.92 0.24 -0.10 2.11 7.64 -1.26 -0.15 113.62 121.18 2dm3 n SER 54 Ca -0.01 1.19 -0.18 0.00 1.01 0.00 0.00 58.87 60.88 2dm3 n SER 54 Cb 0.62 -0.58 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 2dm3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dm3 h ALA 55 N 1.42 0.20 -1.78 -0.43 0.00 -1.92 -3.45 119.26 113.30 2dm3 h ALA 55 Ca 0.64 -1.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.95 2dm3 h ALA 55 Cb 1.79 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 20.15 2dm3 h ALA 55 CO -0.52 0.61 0.91 -1.01 0.00 0.00 0.00 179.25 179.24 2dm3 s HIS 56 N -2.32 2.89 -0.23 0.00 3.76 0.79 -2.23 115.29 117.95 2dm3 s HIS 56 Ca -0.26 0.83 0.01 0.00 -0.15 0.00 0.00 55.06 55.50 2dm3 s HIS 56 Cb 0.05 -4.25 0.04 0.00 1.11 0.00 0.00 32.58 29.52 2dm3 s HIS 56 CO 0.53 -1.15 -0.12 0.21 -0.85 0.00 0.00 174.74 173.36 2dm3 s LYS 57 N 4.26 2.65 -0.20 1.40 2.20 0.68 0.90 119.74 131.63 2dm3 s LYS 57 Ca 0.47 -1.08 -0.16 0.00 -0.36 0.00 0.00 55.97 54.84 2dm3 s LYS 57 Cb -0.08 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2dm3 s LYS 57 CO 0.28 -0.42 0.39 -1.64 -0.36 0.00 0.00 175.35 173.60 2dm3 s MET 58 N 1.23 4.18 0.03 4.03 -1.94 -1.26 -1.47 119.30 124.11 2dm3 s MET 58 Ca -0.02 0.20 0.01 0.00 -1.71 0.00 0.00 55.69 54.16 2dm3 s MET 58 Cb -0.17 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 33.11 2dm3 s MET 58 CO -0.07 -0.01 0.09 -0.51 -0.01 0.00 0.00 175.02 174.51 2dm3 s LEU 59 N 1.22 3.89 -0.32 -0.03 1.02 -0.35 -5.01 118.68 119.11 2dm3 s LEU 59 Ca 0.19 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.44 2dm3 s LEU 59 Cb -0.15 -2.39 0.10 0.00 0.02 0.00 0.00 46.19 43.78 2dm3 s LEU 59 CO 0.08 0.23 0.08 -0.69 0.02 0.00 0.00 176.35 176.07 2dm3 s VAL 60 N -1.28 1.27 0.61 -1.59 1.01 -1.26 -2.31 120.40 116.84 2dm3 s VAL 60 Ca 0.26 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.58 2dm3 s VAL 60 Cb -0.12 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.37 2dm3 s VAL 60 CO 0.18 -0.65 0.86 -0.13 0.00 0.00 0.00 175.10 175.36 2dm3 s ARG 61 N 1.42 2.26 0.98 2.72 0.52 0.32 -5.01 118.95 122.16 2dm3 s ARG 61 Ca 0.10 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 2dm3 s ARG 61 Cb -0.18 -2.41 0.22 0.00 0.52 0.00 0.00 34.95 33.10 2dm3 s ARG 61 CO -0.20 -0.97 1.34 -1.21 0.02 0.00 0.00 175.30 174.27 2dm3 s GLU 62 N -4.92 0.46 -1.77 3.54 2.02 -1.26 -3.21 118.70 113.57 2dm3 s GLU 62 Ca 0.60 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2dm3 s GLU 62 Cb -0.09 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.30 2dm3 s GLU 62 CO 0.41 -2.52 0.00 0.09 0.02 0.00 0.00 175.26 173.26 2dm3 n ASN 63 N -3.82 -5.57 -2.78 -0.19 4.13 -1.26 -1.69 115.26 104.07 2dm3 n ASN 63 Ca 0.16 0.10 -0.18 0.00 1.68 0.00 0.00 54.58 56.34 2dm3 n ASN 63 Cb 0.59 -4.70 0.06 0.00 -1.54 0.00 0.00 39.78 34.19 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 -0.87 -0.18 3.46 7.41 0.00 -1.26 -4.66 105.19 109.08 2dm3 n GLY 64 Ca -0.23 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.22 4.02 0.33 1.61 1.01 -0.68 -1.62 120.40 121.85 2dm3 s VAL 65 Ca 0.42 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2dm3 s VAL 65 Cb -0.19 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 2dm3 s VAL 65 CO 0.52 0.42 -0.00 -1.00 0.00 0.00 0.00 175.10 175.04 2dm3 s HIS 66 N 1.03 2.10 -0.12 5.22 3.76 -0.68 0.12 115.29 126.72 2dm3 s HIS 66 Ca 0.02 -0.78 -0.27 0.00 -0.15 0.00 0.00 55.06 53.89 2dm3 s HIS 66 Cb -0.14 -1.33 0.06 0.00 1.11 0.00 0.00 32.58 32.28 2dm3 s HIS 66 CO 0.02 0.23 0.64 -1.12 -0.85 0.00 0.00 174.74 173.66 2dm3 s SER 67 N -3.53 -0.63 -0.32 1.40 0.01 -0.98 -2.27 113.70 107.38 2dm3 s SER 67 Ca 0.33 0.89 0.03 0.00 1.31 0.00 0.00 55.95 58.52 2dm3 s SER 67 Cb 0.07 0.82 0.10 0.00 0.21 0.00 0.00 66.02 67.21 2dm3 s SER 67 CO 0.15 -0.46 0.04 -0.22 0.41 0.00 0.00 173.24 173.16 2dm3 s LEU 68 N -0.64 4.21 -0.15 2.44 2.96 -1.14 -1.21 118.68 125.15 2dm3 s LEU 68 Ca -0.07 -1.98 -0.12 0.00 -0.22 0.00 0.00 54.13 51.73 2dm3 s LEU 68 Cb -0.02 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 2dm3 s LEU 68 CO 0.06 -0.36 0.24 -0.63 -1.32 0.00 0.00 176.35 174.34 2dm3 s ILE 69 N 1.04 5.33 -0.11 6.68 1.01 -0.54 -3.43 121.20 131.18 2dm3 s ILE 69 Ca 0.08 0.44 -0.00 0.00 0.00 0.00 0.00 60.65 61.17 2dm3 s ILE 69 Cb -0.19 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2dm3 s ILE 69 CO -0.10 0.44 -0.08 -0.63 0.00 0.00 0.00 174.94 174.57 2dm3 s ILE 70 N 0.16 1.05 -0.30 2.92 1.01 -0.74 -0.23 121.20 125.08 2dm3 s ILE 70 Ca 0.15 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 2dm3 s ILE 70 Cb -0.13 -1.07 0.14 0.00 0.01 0.00 0.00 42.46 41.42 2dm3 s ILE 70 CO 0.03 0.37 0.84 -0.70 0.00 0.00 0.00 174.94 175.49 2dm3 s GLU 71 N 1.68 0.44 0.57 2.79 2.12 -0.95 -0.52 118.70 124.84 2dm3 s GLU 71 Ca 0.05 1.01 -0.10 0.00 0.36 0.00 0.00 54.97 56.29 2dm3 s GLU 71 Cb -0.13 0.50 0.14 0.00 0.26 0.00 0.00 34.13 34.90 2dm3 s GLU 71 CO -0.08 -0.14 0.50 -0.35 -0.54 0.00 0.00 175.26 174.66 2dm3 n PRO 72 N 4.87 -2.00 -4.85 4.30 -0.04 -1.26 -4.32 135.00 131.70 2dm3 n PRO 72 Ca -0.13 -0.81 -0.28 0.00 -0.04 0.00 0.00 63.50 62.24 2dm3 n PRO 72 Cb 0.53 -0.76 -0.15 0.00 -0.04 0.00 0.00 33.50 33.09 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 -1.91 1.95 0.23 0.52 1.01 -1.09 -4.82 120.40 116.27 2dm3 s VAL 73 Ca 0.33 -1.28 0.11 0.00 0.00 0.00 0.00 61.98 61.14 2dm3 s VAL 73 Cb -0.03 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2dm3 s VAL 73 CO 0.25 0.33 -0.19 0.42 0.00 0.00 0.00 175.10 175.91 2dm3 s THR 74 N -0.77 2.57 0.65 3.92 -4.23 -1.26 -0.66 115.64 115.85 2dm3 s THR 74 Ca 0.10 -2.11 0.32 0.00 -1.18 0.00 0.00 61.69 58.82 2dm3 s THR 74 Cb -0.09 -2.28 0.34 0.00 1.34 0.00 0.00 72.50 71.80 2dm3 s THR 74 CO 0.02 -0.23 2.02 0.28 -0.54 0.00 0.00 174.62 176.17 2dm3 h SER 75 N 2.77 0.00 -0.33 3.99 0.02 -1.98 -0.03 113.55 117.99 2dm3 h SER 75 Ca -0.44 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 2dm3 h SER 75 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2dm3 h SER 75 CO 0.53 0.00 -0.22 -0.09 -1.14 0.00 0.00 176.83 175.92 2dm3 h ARG 76 N 0.00 0.73 0.00 3.45 9.65 -1.98 -2.73 114.38 123.50 2dm3 h ARG 76 Ca 0.04 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 2dm3 h ARG 76 Cb 0.60 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2dm3 h ARG 76 CO -0.00 0.96 0.29 -0.44 2.80 0.00 0.00 179.97 183.58 2dm3 h ASP 77 N 0.50 0.00 -3.22 -3.80 3.32 -1.40 -3.39 116.42 108.43 2dm3 h ASP 77 Ca 0.07 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.55 2dm3 h ASP 77 Cb 0.77 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 2dm3 h ASP 77 CO 0.06 0.00 0.97 0.00 -1.72 0.00 0.00 179.24 178.55 2dm3 s ALA 78 N -3.82 3.31 0.00 3.45 0.00 -1.03 -4.87 121.76 118.81 2dm3 s ALA 78 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2dm3 s ALA 78 Cb 0.07 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2dm3 s ALA 78 CO 0.22 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.51 2dm3 n GLY 79 N 4.44 -0.76 3.21 0.00 0.00 -1.20 -5.02 105.19 105.86 2dm3 n GLY 79 Ca 0.15 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.87 2.91 -0.35 -0.61 -1.09 -1.26 -2.84 121.20 114.09 2dm3 s ILE 80 Ca 0.00 -0.99 -0.20 0.00 -2.23 0.00 0.00 60.65 57.23 2dm3 s ILE 80 Cb 0.00 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 2dm3 s ILE 80 CO 0.00 0.22 0.62 -0.31 -1.23 0.00 0.00 174.94 174.24 2dm3 s TYR 81 N 1.34 3.16 -0.50 3.97 2.02 -1.14 -3.70 117.35 122.50 2dm3 s TYR 81 Ca 0.01 0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 57.04 2dm3 s TYR 81 Cb -0.16 -3.10 0.13 0.00 -0.40 0.00 0.00 41.96 38.43 2dm3 s TYR 81 CO -0.04 -0.60 0.30 0.99 -1.57 0.00 0.00 175.55 174.63 2dm3 s THR 82 N 2.67 3.43 0.31 -0.71 2.01 -0.99 -2.58 115.64 119.77 2dm3 s THR 82 Ca 0.24 -2.46 -0.09 0.00 0.31 0.00 0.00 61.69 59.69 2dm3 s THR 82 Cb -0.15 -3.30 -0.06 0.00 0.01 0.00 0.00 72.50 69.00 2dm3 s THR 82 CO 0.14 -0.77 0.64 0.00 -0.69 0.00 0.00 174.62 173.94 2dm3 s ILE 84 N -2.10 0.23 -0.53 0.00 1.01 -1.20 -2.35 121.20 116.25 2dm3 s ILE 84 Ca 0.48 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 2dm3 s ILE 84 Cb -0.11 -1.01 0.06 0.00 0.01 0.00 0.00 42.46 41.42 2dm3 s ILE 84 CO 0.27 -0.48 0.72 0.00 0.00 0.00 0.00 174.94 175.45 2dm3 s ALA 85 N 1.97 3.33 -0.29 9.38 0.00 0.99 -3.40 121.76 133.73 2dm3 s ALA 85 Ca 0.05 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.27 2dm3 s ALA 85 Cb -0.16 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 2dm3 s ALA 85 CO -0.21 -2.15 0.10 0.99 0.00 0.00 0.00 175.76 174.49 2dm3 s THR 86 N 2.99 4.23 0.40 0.00 2.01 0.14 -1.17 115.64 124.23 2dm3 s THR 86 Ca 0.19 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.72 2dm3 s THR 86 Cb -0.18 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.24 2dm3 s THR 86 CO 0.13 0.13 0.25 -3.20 -0.69 0.00 0.00 174.62 171.25 2dm3 n ASN 87 N 4.91 2.40 0.14 3.53 5.15 0.21 -2.45 115.26 129.16 2dm3 n ASN 87 Ca -0.15 -2.42 0.04 0.00 -0.60 0.00 0.00 54.58 51.45 2dm3 n ASN 87 Cb 0.49 0.01 0.44 0.00 -0.53 0.00 0.00 39.78 40.19 2dm3 n ASN 87 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2dm3 h ARG 88 N 0.00 0.19 0.13 1.20 2.47 -1.86 -3.20 114.38 113.30 2dm3 h ARG 88 Ca -0.26 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.41 2dm3 h ARG 88 Cb 0.93 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2dm3 h ARG 88 CO 0.42 0.30 -0.06 0.00 0.56 0.00 0.00 179.97 181.19 2dm3 h ALA 89 N 1.72 -0.17 -3.00 0.04 0.00 -1.83 -3.50 119.26 112.51 2dm3 h ALA 89 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dm3 h ALA 89 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dm3 h ALA 89 CO 0.02 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.51 2dm3 n GLY 90 N 1.28 4.05 3.55 0.00 0.00 -1.21 -5.00 105.19 107.86 2dm3 n GLY 90 Ca -0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 2dm3 n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dm3 s GLN 91 N 3.62 0.89 0.14 1.61 -2.07 -1.26 0.67 119.66 123.26 2dm3 s GLN 91 Ca 0.00 0.31 -0.06 0.00 -1.82 0.00 0.00 55.36 53.79 2dm3 s GLN 91 Cb 0.00 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 2dm3 s GLN 91 CO 0.00 -0.26 0.18 1.21 -1.32 0.00 0.00 175.29 175.11 2dm3 s ASN 92 N -0.97 0.16 0.11 12.60 3.84 -0.32 -4.92 114.94 125.45 2dm3 s ASN 92 Ca -0.07 -0.96 -0.06 0.00 0.21 0.00 0.00 52.86 51.98 2dm3 s ASN 92 Cb -0.01 0.37 -0.02 0.00 -0.55 0.00 0.00 41.25 41.04 2dm3 s ASN 92 CO 0.06 -0.81 0.14 -0.55 -2.79 0.00 0.00 177.10 173.15 2dm3 s SER 93 N -2.98 0.22 -0.22 -4.21 0.15 -1.26 -0.01 113.70 105.39 2dm3 s SER 93 Ca 0.18 -0.89 -0.18 0.00 0.70 0.00 0.00 55.95 55.75 2dm3 s SER 93 Cb 0.05 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.75 2dm3 s SER 93 CO -0.01 -0.74 0.58 0.72 1.20 0.00 0.00 173.24 174.99 2dm3 s PHE 94 N -3.94 -0.71 0.01 3.44 -0.12 -0.99 -5.00 117.98 110.67 2dm3 s PHE 94 Ca 0.12 1.63 0.02 0.00 -0.05 0.00 0.00 56.93 58.66 2dm3 s PHE 94 Cb 0.06 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 2dm3 s PHE 94 CO -0.06 -0.35 -0.02 -1.12 -0.05 0.00 0.00 175.22 173.62 2dm3 s SER 95 N 0.68 4.93 0.08 1.98 0.01 -1.26 -2.72 113.70 117.41 2dm3 s SER 95 Ca -0.03 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.16 2dm3 s SER 95 Cb -0.05 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 2dm3 s SER 95 CO -0.05 0.27 -0.06 -1.48 0.41 0.00 0.00 173.24 172.34 2dm3 s LEU 96 N -1.59 2.49 -0.10 2.44 0.05 -1.07 -4.98 118.68 115.92 2dm3 s LEU 96 Ca 0.19 -0.99 -0.01 0.00 0.05 0.00 0.00 54.13 53.38 2dm3 s LEU 96 Cb -0.11 0.00 -0.03 0.00 -2.05 0.00 0.00 46.19 44.00 2dm3 s LEU 96 CO 0.10 -0.49 -0.07 -0.70 -0.55 0.00 0.00 176.35 174.64 2dm3 s GLU 97 N -3.77 3.11 -0.21 1.48 2.12 -1.26 -2.87 118.70 117.30 2dm3 s GLU 97 Ca 0.10 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.85 2dm3 s GLU 97 Cb 0.05 -2.70 0.07 0.00 0.26 0.00 0.00 34.13 31.81 2dm3 s GLU 97 CO -0.06 0.48 0.03 -1.17 -0.54 0.00 0.00 175.26 174.00 2dm3 s LEU 98 N -0.31 1.47 -0.04 2.70 2.96 -1.13 -3.17 118.68 121.16 2dm3 s LEU 98 Ca 0.04 -0.97 -0.17 0.00 -0.22 0.00 0.00 54.13 52.82 2dm3 s LEU 98 Cb -0.13 -0.70 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 2dm3 s LEU 98 CO 0.02 -0.31 0.45 -0.69 -1.32 0.00 0.00 176.35 174.50 2dm3 s VAL 99 N 1.78 5.05 -0.14 1.68 1.01 -0.78 -3.21 120.40 125.79 2dm3 s VAL 99 Ca -0.00 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 62.90 2dm3 s VAL 99 Cb -0.17 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2dm3 s VAL 99 CO -0.10 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.72 2dm3 s VAL 100 N -0.43 1.07 -0.29 2.92 1.01 -1.26 -2.22 120.40 121.20 2dm3 s VAL 100 Ca 0.25 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 2dm3 s VAL 100 Cb -0.16 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2dm3 s VAL 100 CO 0.13 0.24 0.61 0.00 0.00 0.00 0.00 175.10 176.08 2dm3 s ALA 101 N 1.67 3.56 0.46 5.51 0.00 -1.20 -4.83 121.76 126.92 2dm3 s ALA 101 Ca 0.03 -0.61 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 2dm3 s ALA 101 Cb -0.14 -3.05 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 2dm3 s ALA 101 CO -0.08 -0.98 0.26 0.00 0.00 0.00 0.00 175.76 174.96 2dm3 n ALA 102 N 5.79 -2.23 -2.43 0.00 0.00 -1.26 -0.27 120.51 120.11 2dm3 n ALA 102 Ca -0.01 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 2dm3 n ALA 102 Cb 0.49 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 2dm3 n ALA 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dm3 s LYS 103 N -1.36 4.35 0.33 0.00 2.20 -1.26 -4.55 119.74 119.44 2dm3 s LYS 103 Ca 0.62 0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 56.75 2dm3 s LYS 103 Cb -0.57 -3.33 -0.11 0.00 -1.51 0.00 0.00 37.83 32.31 2dm3 s LYS 103 CO 0.61 0.39 1.45 -1.83 -0.36 0.00 0.00 175.35 175.60 2dm3 s GLU 104 N -0.29 4.20 -0.74 4.03 -1.05 -1.26 -4.94 118.70 118.65 2dm3 s GLU 104 Ca 0.32 2.44 -0.23 0.00 -0.15 0.00 0.00 54.97 57.36 2dm3 s GLU 104 Cb -0.19 -3.03 0.07 0.00 -0.44 0.00 0.00 34.13 30.55 2dm3 s GLU 104 CO 0.19 -0.44 1.06 -1.12 0.95 0.00 0.00 175.26 175.90 2dm3 s SER 105 N -0.03 6.27 -0.78 0.83 0.01 -1.26 -4.96 113.70 113.79 2dm3 s SER 105 Ca 0.55 -1.13 -0.00 0.00 1.31 0.00 0.00 55.95 56.68 2dm3 s SER 105 Cb -0.44 -2.44 0.19 0.00 0.21 0.00 0.00 66.02 63.54 2dm3 s SER 105 CO 0.54 -1.44 0.62 -0.83 0.41 0.00 0.00 173.24 172.55 2dm3 s GLY 106 N 3.77 2.89 0.19 3.44 0.00 -1.26 -4.88 107.32 111.47 2dm3 s GLY 106 Ca 0.27 -3.69 0.21 0.00 0.00 0.00 0.00 44.72 41.51 2dm3 s GLY 106 CO 0.06 1.14 1.64 -1.55 0.00 0.00 0.00 173.10 174.40 2dm3 n PRO 107 N 2.55 0.14 -1.73 2.90 -0.04 -1.26 -4.83 135.00 132.73 2dm3 n PRO 107 Ca 0.17 0.38 -0.64 0.00 -0.04 0.00 0.00 63.50 63.37 2dm3 n PRO 107 Cb 0.36 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 2dm3 n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dm3 n SER 108 N -2.05 1.53 -4.44 3.54 7.64 -1.26 -4.82 113.62 113.75 2dm3 n SER 108 Ca 0.02 1.15 -0.37 0.00 1.01 0.00 0.00 58.87 60.68 2dm3 n SER 108 Cb 0.21 -0.96 0.05 0.00 -1.01 0.00 0.00 64.21 62.50 2dm3 n SER 108 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dm3 n SER 109 N 4.30 -1.36 -0.22 6.43 2.88 -1.26 -5.28 113.62 119.12 2dm3 n SER 109 Ca 0.29 0.65 0.15 0.00 -1.33 0.00 0.00 58.87 58.63 2dm3 n SER 109 Cb 0.01 -1.17 0.76 0.00 -0.75 0.00 0.00 64.21 63.06 2dm3 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42