#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 5.20 -0.11 1.61 0.01 -1.26 -5.14 113.70 114.01 2dm3 s SER 2 Ca 0.00 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.18 2dm3 s SER 2 Cb 0.00 0.11 0.10 0.00 0.21 0.00 0.00 66.02 66.44 2dm3 s SER 2 CO 0.00 -1.22 0.86 -0.94 0.41 0.00 0.00 173.24 172.35 2dm3 s SER 3 N -4.60 -0.50 0.00 2.44 1.04 -1.26 -5.10 113.70 105.73 2dm3 s SER 3 Ca 0.60 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2dm3 s SER 3 Cb -0.06 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2dm3 s SER 3 CO 0.37 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2dm3 n GLY 4 N 0.80 -1.80 2.69 7.32 0.00 -1.26 -5.11 105.19 107.84 2dm3 n GLY 4 Ca -0.14 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 2dm3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm3 s SER 5 N -4.00 1.71 0.32 1.61 1.04 -1.26 -5.15 113.70 107.97 2dm3 s SER 5 Ca 0.00 -0.21 0.09 0.00 0.48 0.00 0.00 55.95 56.31 2dm3 s SER 5 Cb 0.00 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 2dm3 s SER 5 CO 0.00 -0.26 0.06 -0.44 0.98 0.00 0.00 173.24 173.58 2dm3 s SER 6 N 2.08 4.49 0.23 7.02 0.01 -1.26 -5.15 113.70 121.12 2dm3 s SER 6 Ca 0.04 -0.80 -0.18 0.00 1.31 0.00 0.00 55.95 56.32 2dm3 s SER 6 Cb -0.13 -0.71 0.02 0.00 0.21 0.00 0.00 66.02 65.41 2dm3 s SER 6 CO -0.05 -0.19 0.57 -0.83 0.41 0.00 0.00 173.24 173.15 2dm3 s GLY 7 N -3.75 0.02 -0.03 3.44 0.00 -1.26 -4.76 107.32 100.97 2dm3 s GLY 7 Ca 0.35 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.77 2dm3 s GLY 7 CO 0.21 -0.28 -0.21 -1.36 0.00 0.00 0.00 173.10 171.46 2dm3 s PHE 8 N -3.91 1.96 0.34 1.90 0.40 -1.26 -4.91 117.98 112.49 2dm3 s PHE 8 Ca 0.12 -0.48 -0.27 0.00 -0.60 0.00 0.00 56.93 55.70 2dm3 s PHE 8 Cb -0.02 -1.28 -0.13 0.00 0.51 0.00 0.00 43.02 42.10 2dm3 s PHE 8 CO 0.02 -0.11 1.16 -2.13 0.70 0.00 0.00 175.22 174.86 2dm3 n ARG 9 N 2.81 1.76 -2.04 0.44 0.63 -1.26 -3.56 116.66 115.44 2dm3 n ARG 9 Ca -0.17 0.62 -0.37 0.00 -0.92 0.00 0.00 57.85 57.01 2dm3 n ARG 9 Cb 0.53 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 31.28 2dm3 n ARG 9 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2dm3 s PRO 10 N -1.79 2.61 -0.05 -0.14 0.04 -1.25 -4.44 135.00 129.98 2dm3 s PRO 10 Ca 0.58 0.51 0.04 0.00 0.04 0.00 0.00 61.00 62.16 2dm3 s PRO 10 Cb -0.61 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2dm3 s PRO 10 CO 0.61 -2.82 -0.16 -1.58 0.04 0.00 0.00 177.00 173.09 2dm3 s HIS 11 N 9.24 1.70 -0.60 0.56 2.46 -0.95 -4.00 115.29 123.69 2dm3 s HIS 11 Ca 0.68 -0.53 -0.28 0.00 0.47 0.00 0.00 55.06 55.40 2dm3 s HIS 11 Cb -0.12 -1.16 0.03 0.00 -0.13 0.00 0.00 32.58 31.20 2dm3 s HIS 11 CO 0.18 -0.20 1.22 -0.06 -2.47 0.00 0.00 174.74 173.41 2dm3 s PHE 12 N 0.19 2.55 0.09 3.88 0.08 -1.26 -0.87 117.98 122.63 2dm3 s PHE 12 Ca -0.07 0.37 -0.30 0.00 0.12 0.00 0.00 56.93 57.05 2dm3 s PHE 12 Cb -0.13 -4.52 -0.14 0.00 -0.57 0.00 0.00 43.02 37.66 2dm3 s PHE 12 CO 0.03 -1.67 1.63 -0.07 -0.10 0.00 0.00 175.22 175.04 2dm3 h LEU 13 N 12.13 -0.77 -7.73 -0.37 3.38 -0.53 -3.40 115.31 118.01 2dm3 h LEU 13 Ca -0.25 0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.16 2dm3 h LEU 13 Cb 1.06 0.24 -0.37 0.00 0.09 0.00 0.00 40.66 41.68 2dm3 h LEU 13 CO 1.20 -0.45 -0.80 -1.58 0.09 0.00 0.00 178.44 176.90 2dm3 s GLN 14 N -6.05 1.87 0.02 1.13 2.00 -1.22 -5.01 119.66 112.40 2dm3 s GLN 14 Ca -0.17 -0.86 0.08 0.00 -2.00 0.00 0.00 55.36 52.42 2dm3 s GLN 14 Cb 0.05 -2.43 -0.03 0.00 0.80 0.00 0.00 33.01 31.41 2dm3 s GLN 14 CO 0.63 -0.48 -0.25 0.00 -0.50 0.00 0.00 175.29 174.70 2dm3 s ALA 15 N 1.41 2.29 1.19 1.58 0.00 -1.26 -2.20 121.76 124.77 2dm3 s ALA 15 Ca -0.02 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2dm3 s ALA 15 Cb -0.17 -0.56 0.24 0.00 0.00 0.00 0.00 23.12 22.63 2dm3 s ALA 15 CO -0.08 0.54 0.84 -0.35 0.00 0.00 0.00 175.76 176.72 2dm3 n PRO 16 N 1.98 -2.67 0.00 0.00 -0.04 -1.26 -5.08 135.00 127.92 2dm3 n PRO 16 Ca -0.17 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2dm3 n PRO 16 Cb 0.52 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -3.12 3.24 3.79 0.55 0.00 -1.26 -4.92 105.19 103.47 2dm3 n GLY 17 Ca 0.12 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 2dm3 n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dm3 s ASP 18 N 1.00 6.30 0.13 1.61 2.15 -1.25 -3.10 116.67 123.51 2dm3 s ASP 18 Ca 0.00 0.34 0.02 0.00 0.43 0.00 0.00 52.55 53.34 2dm3 s ASP 18 Cb 0.00 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 2dm3 s ASP 18 CO 0.00 0.27 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.47 2dm3 s LEU 19 N -0.21 2.34 -0.14 -1.34 1.02 -1.18 -5.02 118.68 114.15 2dm3 s LEU 19 Ca 0.11 -1.08 -0.02 0.00 0.02 0.00 0.00 54.13 53.16 2dm3 s LEU 19 Cb -0.12 -0.08 0.04 0.00 0.02 0.00 0.00 46.19 46.06 2dm3 s LEU 19 CO 0.01 -0.50 0.02 -0.89 0.02 0.00 0.00 176.35 175.00 2dm3 s THR 20 N -3.63 0.46 -0.06 5.49 2.01 -1.26 -0.29 115.64 118.37 2dm3 s THR 20 Ca 0.17 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2dm3 s THR 20 Cb 0.05 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.78 2dm3 s THR 20 CO -0.01 0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.16 2dm3 s VAL 21 N 1.91 0.92 0.64 3.82 1.01 -0.69 -5.01 120.40 122.99 2dm3 s VAL 21 Ca 0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2dm3 s VAL 21 Cb -0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2dm3 s VAL 21 CO -0.07 0.31 1.15 -1.58 0.00 0.00 0.00 175.10 174.91 2dm3 s GLN 22 N 0.79 2.82 0.22 2.72 0.74 -1.26 -2.83 119.66 122.85 2dm3 s GLN 22 Ca -0.13 1.60 -0.31 0.00 0.05 0.00 0.00 55.36 56.57 2dm3 s GLN 22 Cb -0.15 -1.93 -0.11 0.00 1.10 0.00 0.00 33.01 31.92 2dm3 s GLN 22 CO 0.02 -1.27 1.58 -2.00 -0.55 0.00 0.00 175.29 173.06 2dm3 s GLU 23 N -3.73 4.19 0.00 1.67 -6.30 0.86 -2.39 118.70 113.00 2dm3 s GLU 23 Ca 0.72 2.44 0.00 0.00 -2.50 0.00 0.00 54.97 55.63 2dm3 s GLU 23 Cb -0.25 -3.10 0.00 0.00 0.00 0.00 0.00 34.13 30.78 2dm3 s GLU 23 CO 0.37 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.46 2dm3 n GLY 24 N 3.16 0.61 3.72 -1.50 0.00 0.12 -4.64 105.19 106.66 2dm3 n GLY 24 Ca 0.12 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.20 2.13 -0.13 1.61 -0.14 -1.00 -4.61 119.74 116.39 2dm3 s LYS 25 Ca 0.00 -2.15 -0.20 0.00 -1.36 0.00 0.00 55.97 52.26 2dm3 s LYS 25 Cb 0.00 -1.72 -0.04 0.00 -1.68 0.00 0.00 37.83 34.40 2dm3 s LYS 25 CO 0.00 -0.23 0.58 -1.17 -0.76 0.00 0.00 175.35 173.77 2dm3 s LEU 26 N -3.87 4.25 -0.36 3.17 1.98 -1.26 -2.51 118.68 120.07 2dm3 s LEU 26 Ca 0.26 0.91 0.01 0.00 -2.89 0.00 0.00 54.13 52.41 2dm3 s LEU 26 Cb 0.05 -2.85 0.10 0.00 0.66 0.00 0.00 46.19 44.15 2dm3 s LEU 26 CO 0.14 -0.11 0.11 0.00 -1.89 0.00 0.00 176.35 174.60 2dm3 s ARG 28 N 1.03 4.08 -0.22 0.00 3.52 -1.26 -2.88 118.95 123.21 2dm3 s ARG 28 Ca 0.08 0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 56.27 2dm3 s ARG 28 Cb -0.21 -2.76 0.10 0.00 -1.56 0.00 0.00 34.95 30.52 2dm3 s ARG 28 CO -0.06 0.35 0.48 -1.64 -0.81 0.00 0.00 175.30 173.62 2dm3 s MET 29 N -2.31 0.41 0.27 5.12 -1.94 -1.19 -5.04 119.30 114.63 2dm3 s MET 29 Ca 0.45 1.12 0.11 0.00 -1.71 0.00 0.00 55.69 55.66 2dm3 s MET 29 Cb -0.14 0.42 -0.05 0.00 2.01 0.00 0.00 34.83 37.07 2dm3 s MET 29 CO 0.20 -0.23 -0.13 0.16 -0.01 0.00 0.00 175.02 175.01 2dm3 s ASP 30 N 2.53 3.93 -0.23 3.03 1.47 -1.26 -1.40 116.67 124.74 2dm3 s ASP 30 Ca -0.04 -0.89 -0.14 0.00 1.18 0.00 0.00 52.55 52.66 2dm3 s ASP 30 Cb -0.11 -0.50 0.07 0.00 -0.34 0.00 0.00 42.92 42.04 2dm3 s ASP 30 CO -0.15 0.03 0.57 0.00 0.68 0.00 0.00 175.17 176.30 2dm3 s LYS 32 N 1.26 3.62 -0.12 0.00 2.47 -0.93 -3.06 119.74 122.97 2dm3 s LYS 32 Ca -0.08 -0.52 0.03 0.00 -1.56 0.00 0.00 55.97 53.84 2dm3 s LYS 32 Cb -0.06 -3.50 0.01 0.00 -1.46 0.00 0.00 37.83 32.82 2dm3 s LYS 32 CO -0.13 -0.27 -0.23 0.54 0.16 0.00 0.00 175.35 175.43 2dm3 s VAL 33 N 1.65 2.05 -0.03 4.02 0.11 -1.22 0.28 120.40 127.27 2dm3 s VAL 33 Ca 0.06 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.07 2dm3 s VAL 33 Cb -0.16 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 2dm3 s VAL 33 CO 0.06 0.55 0.19 -0.94 -3.33 0.00 0.00 175.10 171.64 2dm3 s SER 34 N 0.64 6.40 0.00 3.54 1.04 -0.05 -4.66 113.70 120.61 2dm3 s SER 34 Ca -0.11 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2dm3 s SER 34 Cb -0.16 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2dm3 s SER 34 CO 0.02 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2dm3 n GLY 35 N 1.20 3.97 3.19 7.32 0.00 -1.26 -2.25 105.19 117.36 2dm3 n GLY 35 Ca -0.13 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 2dm3 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm3 s LEU 36 N 0.00 2.50 0.36 0.99 1.02 -1.23 -4.09 118.68 118.23 2dm3 s LEU 36 Ca 0.00 -0.97 0.15 0.00 0.02 0.00 0.00 54.13 53.32 2dm3 s LEU 36 Cb 0.00 -0.18 0.68 0.00 0.02 0.00 0.00 46.19 46.71 2dm3 s LEU 36 CO 0.00 -0.40 1.77 1.55 0.02 0.00 0.00 176.35 179.29 2dm3 h PRO 37 N 3.02 0.00 -0.66 1.29 0.13 -1.93 -3.36 132.00 130.49 2dm3 h PRO 37 Ca -0.36 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.93 2dm3 h PRO 37 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 2dm3 h PRO 37 CO 0.62 0.42 -0.07 0.99 -0.23 0.00 0.00 178.00 179.73 2dm3 s THR 38 N -3.89 -0.66 -0.24 1.56 2.01 -1.26 -5.05 115.64 108.11 2dm3 s THR 38 Ca -0.02 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 2dm3 s THR 38 Cb 0.13 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2dm3 s THR 38 CO 0.71 0.00 1.63 -2.16 -0.69 0.00 0.00 174.62 174.11 2dm3 s PRO 39 N 2.91 3.73 -0.55 4.92 0.04 -1.26 -4.75 135.00 140.04 2dm3 s PRO 39 Ca 0.10 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.49 2dm3 s PRO 39 Cb -0.12 -4.05 0.04 0.00 0.04 0.00 0.00 34.50 30.40 2dm3 s PRO 39 CO -0.16 -1.37 0.99 -0.51 0.04 0.00 0.00 177.00 175.99 2dm3 s ASP 40 N 4.44 6.38 0.16 6.66 1.11 0.89 -4.76 116.67 131.54 2dm3 s ASP 40 Ca 0.72 -0.22 0.07 0.00 0.18 0.00 0.00 52.55 53.30 2dm3 s ASP 40 Cb -0.24 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.25 2dm3 s ASP 40 CO 0.30 -1.27 -0.02 -1.48 1.18 0.00 0.00 175.17 173.88 2dm3 s LEU 41 N 4.15 3.26 0.26 1.23 2.34 -1.26 -0.65 118.68 128.00 2dm3 s LEU 41 Ca 0.34 -0.39 0.06 0.00 0.06 0.00 0.00 54.13 54.20 2dm3 s LEU 41 Cb -0.11 -1.94 -0.05 0.00 -0.56 0.00 0.00 46.19 43.52 2dm3 s LEU 41 CO 0.21 0.11 -0.07 -0.55 -1.06 0.00 0.00 176.35 174.99 2dm3 s SER 42 N -2.77 2.59 -0.15 1.48 0.15 -1.06 -4.97 113.70 108.96 2dm3 s SER 42 Ca 0.26 -1.16 -0.03 0.00 0.70 0.00 0.00 55.95 55.72 2dm3 s SER 42 Cb -0.10 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 2dm3 s SER 42 CO 0.18 -0.33 -0.04 0.26 1.20 0.00 0.00 173.24 174.50 2dm3 s TRP 43 N -3.06 3.02 -0.06 3.44 0.52 -1.26 -3.27 118.94 118.26 2dm3 s TRP 43 Ca 0.28 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 56.14 2dm3 s TRP 43 Cb 0.03 -1.93 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2dm3 s TRP 43 CO 0.10 0.01 -0.07 -0.65 0.02 0.00 0.00 176.95 176.36 2dm3 s GLN 44 N 0.22 1.11 -0.18 4.98 -0.21 -1.22 -2.21 119.66 122.15 2dm3 s GLN 44 Ca -0.03 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.17 2dm3 s GLN 44 Cb -0.14 -1.07 0.02 0.00 1.00 0.00 0.00 33.01 32.82 2dm3 s GLN 44 CO 0.03 -0.08 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.76 2dm3 s LEU 45 N 0.99 2.20 -1.37 2.90 2.96 0.85 -1.69 118.68 125.52 2dm3 s LEU 45 Ca -0.10 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.13 2dm3 s LEU 45 Cb -0.14 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.07 2dm3 s LEU 45 CO 0.00 -0.00 0.94 0.47 -1.32 0.00 0.00 176.35 176.43 2dm3 n ASP 46 N 4.64 -3.46 -3.04 3.68 8.00 -1.24 -1.85 116.55 123.28 2dm3 n ASP 46 Ca -0.21 -0.72 -0.20 0.00 0.71 0.00 0.00 54.79 54.38 2dm3 n ASP 46 Cb 0.50 -4.40 0.06 0.00 -0.02 0.00 0.00 41.12 37.27 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dm3 n GLY 47 N -1.62 -0.33 3.13 0.44 0.00 -1.26 -5.01 105.19 100.53 2dm3 n GLY 47 Ca -0.13 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.01 0.35 -0.54 1.61 1.02 -0.77 -5.11 119.74 110.30 2dm3 s LYS 48 Ca 0.46 0.13 -0.27 0.00 0.02 0.00 0.00 55.97 56.30 2dm3 s LYS 48 Cb -0.20 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.25 2dm3 s LYS 48 CO 0.56 -0.06 1.82 -1.25 -0.92 0.00 0.00 175.35 175.50 2dm3 s PRO 49 N -0.32 2.84 -0.03 -1.68 0.04 -1.26 -0.11 135.00 134.48 2dm3 s PRO 49 Ca -0.04 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 2dm3 s PRO 49 Cb -0.03 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 2dm3 s PRO 49 CO 0.01 -2.47 1.20 0.54 0.04 0.00 0.00 177.00 176.33 2dm3 s VAL 50 N 8.35 4.21 0.02 -0.36 0.11 -0.94 -4.94 120.40 126.85 2dm3 s VAL 50 Ca 0.69 1.55 0.04 0.00 -2.93 0.00 0.00 61.98 61.33 2dm3 s VAL 50 Cb -0.15 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 2dm3 s VAL 50 CO 0.24 0.02 -0.08 0.00 -3.33 0.00 0.00 175.10 171.96 2dm3 s ARG 51 N 1.99 2.48 0.10 1.54 1.70 -1.26 -4.73 118.95 120.76 2dm3 s ARG 51 Ca 0.57 -0.77 -0.31 0.00 -0.47 0.00 0.00 55.73 54.74 2dm3 s ARG 51 Cb -0.26 -2.46 -0.08 0.00 -0.57 0.00 0.00 34.95 31.59 2dm3 s ARG 51 CO 0.24 0.59 1.37 -1.25 -1.08 0.00 0.00 175.30 175.16 2dm3 s PRO 52 N -1.50 4.33 0.29 3.89 0.04 -1.26 -4.82 135.00 135.97 2dm3 s PRO 52 Ca 0.17 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.30 2dm3 s PRO 52 Cb -0.11 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2dm3 s PRO 52 CO 0.08 -0.42 0.18 -3.47 0.04 0.00 0.00 177.00 173.41 2dm3 n ASP 53 N 3.99 0.20 -0.26 6.66 2.03 0.37 -4.90 116.55 124.63 2dm3 n ASP 53 Ca 0.11 -2.74 0.32 0.00 0.52 0.00 0.00 54.79 53.01 2dm3 n ASP 53 Cb 0.43 1.11 0.62 0.00 -0.72 0.00 0.00 41.12 42.56 2dm3 n ASP 53 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dm3 h SER 54 N 1.48 0.00 0.00 1.67 0.02 -1.96 -0.94 113.55 113.82 2dm3 h SER 54 Ca -0.22 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.27 2dm3 h SER 54 Cb 0.96 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 2dm3 h SER 54 CO 0.33 0.00 -2.55 0.00 -1.14 0.00 0.00 176.83 173.47 2dm3 n ALA 55 N -2.47 1.22 -2.58 3.77 0.00 -1.26 -4.88 120.51 114.30 2dm3 n ALA 55 Ca 0.24 -1.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.15 2dm3 n ALA 55 Cb 1.40 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 20.94 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 -2.51 3.01 -0.23 0.00 3.76 -0.36 -2.41 115.29 116.55 2dm3 s HIS 56 Ca -0.39 0.53 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 2dm3 s HIS 56 Cb 0.15 -3.74 0.04 0.00 1.11 0.00 0.00 32.58 30.14 2dm3 s HIS 56 CO 0.49 -0.93 -0.12 0.21 -0.85 0.00 0.00 174.74 173.53 2dm3 s LYS 57 N 3.51 2.58 -0.13 1.40 2.20 0.01 0.14 119.74 129.45 2dm3 s LYS 57 Ca 0.36 -1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 54.78 2dm3 s LYS 57 Cb -0.11 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 2dm3 s LYS 57 CO 0.22 -0.43 0.12 -1.64 -0.36 0.00 0.00 175.35 173.26 2dm3 s MET 58 N 1.20 3.51 0.26 4.03 -1.94 -1.26 -1.54 119.30 123.56 2dm3 s MET 58 Ca -0.03 -0.18 0.10 0.00 -1.71 0.00 0.00 55.69 53.86 2dm3 s MET 58 Cb -0.17 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 2dm3 s MET 58 CO -0.07 0.68 -0.03 -0.51 -0.01 0.00 0.00 175.02 175.08 2dm3 s LEU 59 N -0.77 3.12 -0.05 -0.03 1.02 -0.76 -5.00 118.68 116.22 2dm3 s LEU 59 Ca 0.13 -0.68 -0.00 0.00 0.02 0.00 0.00 54.13 53.60 2dm3 s LEU 59 Cb -0.12 -1.65 0.03 0.00 0.02 0.00 0.00 46.19 44.47 2dm3 s LEU 59 CO 0.03 0.01 0.00 -0.69 0.02 0.00 0.00 176.35 175.72 2dm3 s VAL 60 N -2.31 0.27 0.21 -1.59 1.01 -1.26 -3.54 120.40 113.20 2dm3 s VAL 60 Ca 0.31 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.45 2dm3 s VAL 60 Cb -0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2dm3 s VAL 60 CO 0.19 0.21 0.31 -0.13 0.00 0.00 0.00 175.10 175.67 2dm3 s ARG 61 N 1.52 3.34 0.00 2.72 1.81 -0.06 -5.01 118.95 123.27 2dm3 s ARG 61 Ca -0.02 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 2dm3 s ARG 61 Cb -0.13 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 2dm3 s ARG 61 CO -0.03 0.45 0.42 -1.91 -0.68 0.00 0.00 175.30 173.56 2dm3 n GLU 62 N -1.10 0.00 -0.27 3.54 4.07 -1.26 -3.80 120.64 121.82 2dm3 n GLU 62 Ca -0.08 0.44 0.09 0.00 -0.06 0.00 0.00 57.16 57.55 2dm3 n GLU 62 Cb 0.56 -1.17 0.18 0.00 -0.06 0.00 0.00 31.44 30.95 2dm3 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2dm3 n ASN 63 N -1.83 -0.17 0.00 4.31 3.02 -1.26 -4.67 115.26 114.67 2dm3 n ASN 63 Ca 0.00 1.31 0.00 0.00 -0.03 0.00 0.00 54.58 55.86 2dm3 n ASN 63 Cb 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm3 n GLY 64 N -1.43 -0.10 3.11 7.41 0.00 -1.25 -4.93 105.19 108.01 2dm3 n GLY 64 Ca 0.16 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.06 0.10 1.61 1.01 -1.26 -3.40 120.40 118.53 2dm3 s VAL 65 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2dm3 s VAL 65 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2dm3 s VAL 65 CO 0.00 -0.28 -0.11 -1.00 0.00 0.00 0.00 175.10 173.71 2dm3 s HIS 66 N -1.05 1.15 -0.11 5.22 3.76 -1.17 -0.88 115.29 122.20 2dm3 s HIS 66 Ca -0.11 -0.62 -0.05 0.00 -0.15 0.00 0.00 55.06 54.13 2dm3 s HIS 66 Cb -0.06 -0.62 0.05 0.00 1.11 0.00 0.00 32.58 33.06 2dm3 s HIS 66 CO 0.02 0.04 0.24 -1.12 -0.85 0.00 0.00 174.74 173.07 2dm3 s SER 67 N -2.41 0.00 -0.40 1.40 0.01 -1.23 -2.53 113.70 108.55 2dm3 s SER 67 Ca 0.06 0.53 -0.10 0.00 1.31 0.00 0.00 55.95 57.75 2dm3 s SER 67 Cb -0.04 0.49 0.05 0.00 0.21 0.00 0.00 66.02 66.73 2dm3 s SER 67 CO 0.01 -0.19 0.23 -0.22 0.41 0.00 0.00 173.24 173.47 2dm3 s LEU 68 N 1.70 4.92 -0.15 2.44 2.96 -0.49 -1.83 118.68 128.23 2dm3 s LEU 68 Ca -0.05 -1.25 -0.07 0.00 -0.22 0.00 0.00 54.13 52.55 2dm3 s LEU 68 Cb -0.11 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2dm3 s LEU 68 CO -0.08 -0.46 0.08 -0.63 -1.32 0.00 0.00 176.35 173.94 2dm3 s ILE 69 N 1.49 5.01 -0.17 6.68 1.01 -0.59 -3.14 121.20 131.48 2dm3 s ILE 69 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 2dm3 s ILE 69 Cb -0.21 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.10 2dm3 s ILE 69 CO 0.04 0.54 -0.01 -0.63 0.00 0.00 0.00 174.94 174.88 2dm3 s ILE 70 N -0.33 0.82 -0.23 2.92 1.01 -1.14 -0.81 121.20 123.43 2dm3 s ILE 70 Ca 0.10 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 2dm3 s ILE 70 Cb -0.12 -1.13 0.10 0.00 0.01 0.00 0.00 42.46 41.32 2dm3 s ILE 70 CO 0.01 -0.01 0.52 -0.70 0.00 0.00 0.00 174.94 174.77 2dm3 s GLU 71 N 1.75 0.46 0.00 2.79 2.12 -1.01 -1.90 118.70 122.90 2dm3 s GLU 71 Ca 0.00 1.15 0.00 0.00 0.36 0.00 0.00 54.97 56.48 2dm3 s GLU 71 Cb -0.16 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.65 2dm3 s GLU 71 CO -0.07 -0.21 0.00 -0.35 -0.54 0.00 0.00 175.26 174.09 2dm3 n PRO 72 N 5.10 0.14 -4.67 4.30 -0.04 -1.26 -4.41 135.00 134.17 2dm3 n PRO 72 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 2dm3 n PRO 72 Cb 0.51 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.42 1.25 0.36 0.52 1.01 -1.04 -4.85 120.40 117.22 2dm3 s VAL 73 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2dm3 s VAL 73 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2dm3 s VAL 73 CO 0.00 0.38 0.21 0.42 0.00 0.00 0.00 175.10 176.11 2dm3 s THR 74 N 0.57 3.01 -0.20 3.92 -4.23 -1.26 0.11 115.64 117.57 2dm3 s THR 74 Ca -0.14 -1.57 0.26 0.00 -1.18 0.00 0.00 61.69 59.06 2dm3 s THR 74 Cb -0.16 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 70.93 2dm3 s THR 74 CO 0.04 -0.14 1.80 -1.28 -0.54 0.00 0.00 174.62 174.50 2dm3 h SER 75 N 1.40 0.00 1.79 3.99 0.87 -1.97 -1.39 113.55 118.24 2dm3 h SER 75 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2dm3 h SER 75 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2dm3 h SER 75 CO 0.62 0.00 -0.10 0.03 -0.53 0.00 0.00 176.83 176.85 2dm3 h ARG 76 N 0.00 0.00 0.00 2.24 3.08 -2.01 -3.17 114.38 114.52 2dm3 h ARG 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dm3 h ARG 76 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2dm3 h ARG 76 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 178.46 2dm3 h ASP 77 N 0.00 0.00 -3.68 7.04 3.32 -1.65 -3.44 116.42 118.01 2dm3 h ASP 77 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2dm3 h ASP 77 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2dm3 h ASP 77 CO 0.00 0.00 0.38 0.00 -1.72 0.00 0.00 179.24 177.90 2dm3 s ALA 78 N -3.48 3.32 0.00 3.45 0.00 -1.20 -4.93 121.76 118.93 2dm3 s ALA 78 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2dm3 s ALA 78 Cb 0.07 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2dm3 s ALA 78 CO 0.59 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.83 2dm3 n GLY 79 N 1.75 -0.35 3.31 0.00 0.00 -1.13 -5.00 105.19 103.77 2dm3 n GLY 79 Ca -0.00 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.60 3.92 -0.41 -0.61 -1.09 -1.26 -2.20 121.20 115.95 2dm3 s ILE 80 Ca 0.00 -0.92 -0.23 0.00 -2.23 0.00 0.00 60.65 57.27 2dm3 s ILE 80 Cb 0.00 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.76 2dm3 s ILE 80 CO 0.00 -0.07 0.75 -0.31 -1.23 0.00 0.00 174.94 174.08 2dm3 s TYR 81 N 1.46 3.05 -0.52 3.97 2.02 -1.03 -3.64 117.35 122.66 2dm3 s TYR 81 Ca 0.00 0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 2dm3 s TYR 81 Cb -0.18 -3.50 0.13 0.00 -0.40 0.00 0.00 41.96 38.01 2dm3 s TYR 81 CO 0.03 -0.86 0.43 0.99 -1.57 0.00 0.00 175.55 174.56 2dm3 s THR 82 N 3.12 4.62 -0.02 -0.71 2.01 -0.68 -2.94 115.64 121.05 2dm3 s THR 82 Ca 0.29 -1.76 -0.06 0.00 0.31 0.00 0.00 61.69 60.48 2dm3 s THR 82 Cb -0.13 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2dm3 s THR 82 CO 0.20 -0.83 0.23 0.00 -0.69 0.00 0.00 174.62 173.53 2dm3 s ILE 84 N -1.26 1.10 -0.32 0.00 1.09 -1.20 -1.78 121.20 118.83 2dm3 s ILE 84 Ca 0.26 -0.62 -0.15 0.00 -1.10 0.00 0.00 60.65 59.03 2dm3 s ILE 84 Cb -0.13 -1.28 -0.02 0.00 -1.06 0.00 0.00 42.46 39.97 2dm3 s ILE 84 CO 0.15 0.13 0.39 0.00 -0.10 0.00 0.00 174.94 175.51 2dm3 s ALA 85 N 1.64 3.52 -0.24 9.38 0.00 0.22 -2.58 121.76 133.69 2dm3 s ALA 85 Ca 0.01 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 2dm3 s ALA 85 Cb -0.15 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.18 2dm3 s ALA 85 CO -0.08 -0.93 -0.05 0.99 0.00 0.00 0.00 175.76 175.69 2dm3 s THR 86 N 2.09 3.09 0.33 0.00 2.01 0.17 -0.15 115.64 123.19 2dm3 s THR 86 Ca 0.14 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.31 2dm3 s THR 86 Cb -0.16 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.84 2dm3 s THR 86 CO 0.11 0.27 0.04 -3.20 -0.69 0.00 0.00 174.62 171.15 2dm3 n ASN 87 N 4.72 2.77 0.13 3.53 5.15 0.93 -0.08 115.26 132.42 2dm3 n ASN 87 Ca -0.17 -2.39 0.01 0.00 -0.60 0.00 0.00 54.58 51.44 2dm3 n ASN 87 Cb 0.48 0.19 0.35 0.00 -0.53 0.00 0.00 39.78 40.27 2dm3 n ASN 87 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2dm3 h ARG 88 N 0.00 0.18 0.14 1.20 1.12 -1.86 -3.19 114.38 111.97 2dm3 h ARG 88 Ca -0.26 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.55 2dm3 h ARG 88 Cb 0.81 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 2dm3 h ARG 88 CO 0.43 0.43 -0.07 0.00 -3.11 0.00 0.00 179.97 177.65 2dm3 h ALA 89 N 1.58 -0.19 -3.00 2.80 0.00 -1.80 -3.50 119.26 115.16 2dm3 h ALA 89 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2dm3 h ALA 89 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2dm3 h ALA 89 CO 0.04 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.44 2dm3 n GLY 90 N 0.74 2.87 3.26 0.00 0.00 -1.20 -4.90 105.19 105.94 2dm3 n GLY 90 Ca -0.07 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 3.78 0.71 0.17 1.61 -0.44 -1.26 -0.05 119.66 124.18 2dm3 s GLN 91 Ca 0.00 -0.19 -0.08 0.00 -2.50 0.00 0.00 55.36 52.59 2dm3 s GLN 91 Cb 0.00 0.31 -0.01 0.00 -1.64 0.00 0.00 33.01 31.67 2dm3 s GLN 91 CO 0.00 -0.20 0.26 1.21 0.50 0.00 0.00 175.29 177.06 2dm3 s ASN 92 N -1.39 0.07 0.14 6.67 2.47 0.79 -4.89 114.94 118.81 2dm3 s ASN 92 Ca -0.13 -0.95 -0.10 0.00 0.42 0.00 0.00 52.86 52.11 2dm3 s ASN 92 Cb -0.05 0.42 -0.00 0.00 -1.45 0.00 0.00 41.25 40.18 2dm3 s ASN 92 CO 0.04 -0.88 0.27 -0.55 -3.72 0.00 0.00 177.10 172.25 2dm3 s SER 93 N -2.99 0.04 -0.26 -4.21 0.15 -1.26 0.70 113.70 105.87 2dm3 s SER 93 Ca 0.20 -0.76 -0.20 0.00 0.70 0.00 0.00 55.95 55.89 2dm3 s SER 93 Cb 0.04 0.41 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 2dm3 s SER 93 CO 0.01 -0.84 0.67 0.72 1.20 0.00 0.00 173.24 175.00 2dm3 s PHE 94 N -3.92 -0.85 0.06 3.44 -0.71 -0.73 -5.01 117.98 110.26 2dm3 s PHE 94 Ca 0.12 1.91 0.04 0.00 -1.04 0.00 0.00 56.93 57.96 2dm3 s PHE 94 Cb 0.04 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 2dm3 s PHE 94 CO -0.04 -0.42 -0.03 -1.54 -1.34 0.00 0.00 175.22 171.85 2dm3 s SER 95 N 0.86 4.87 0.05 1.98 1.04 -1.26 -2.56 113.70 118.68 2dm3 s SER 95 Ca -0.04 -0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.17 2dm3 s SER 95 Cb -0.05 -1.14 -0.02 0.00 0.10 0.00 0.00 66.02 64.91 2dm3 s SER 95 CO -0.07 0.21 0.05 -1.48 0.98 0.00 0.00 173.24 172.93 2dm3 s LEU 96 N -2.03 2.04 -0.04 2.42 0.05 -1.15 -4.98 118.68 114.99 2dm3 s LEU 96 Ca 0.23 -0.72 -0.00 0.00 0.05 0.00 0.00 54.13 53.68 2dm3 s LEU 96 Cb -0.11 0.48 -0.03 0.00 -2.05 0.00 0.00 46.19 44.47 2dm3 s LEU 96 CO 0.15 -0.56 0.00 -0.70 -0.55 0.00 0.00 176.35 174.69 2dm3 s GLU 97 N -3.20 2.88 -0.09 1.48 2.12 -1.18 -2.47 118.70 118.24 2dm3 s GLU 97 Ca 0.00 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 2dm3 s GLU 97 Cb 0.02 -2.73 0.03 0.00 0.26 0.00 0.00 34.13 31.72 2dm3 s GLU 97 CO -0.07 0.66 0.01 -1.17 -0.54 0.00 0.00 175.26 174.15 2dm3 s LEU 98 N -1.26 0.68 -0.08 2.70 2.96 -0.94 -3.12 118.68 119.61 2dm3 s LEU 98 Ca 0.17 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 2dm3 s LEU 98 Cb -0.11 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 2dm3 s LEU 98 CO 0.07 -0.21 0.18 -0.69 -1.32 0.00 0.00 176.35 174.37 2dm3 s VAL 99 N 1.96 5.44 -0.05 1.68 1.01 0.61 -2.85 120.40 128.20 2dm3 s VAL 99 Ca 0.04 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2dm3 s VAL 99 Cb -0.13 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.81 2dm3 s VAL 99 CO -0.06 0.56 -0.05 0.54 0.00 0.00 0.00 175.10 176.09 2dm3 s VAL 100 N -1.10 0.59 -0.20 2.92 0.11 -1.26 -1.71 120.40 119.75 2dm3 s VAL 100 Ca 0.18 -0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 2dm3 s VAL 100 Cb -0.13 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2dm3 s VAL 100 CO 0.08 0.24 0.09 0.00 -3.33 0.00 0.00 175.10 172.17 2dm3 s ALA 101 N 0.94 3.44 1.14 1.54 0.00 -1.13 -4.92 121.76 122.78 2dm3 s ALA 101 Ca -0.11 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 2dm3 s ALA 101 Cb -0.14 -2.03 0.14 0.00 0.00 0.00 0.00 23.12 21.08 2dm3 s ALA 101 CO 0.00 0.04 0.13 0.00 0.00 0.00 0.00 175.76 175.93 2dm3 n ALA 102 N 3.82 -3.96 -3.63 0.00 0.00 -1.26 -0.10 120.51 115.39 2dm3 n ALA 102 Ca -0.16 -1.31 -0.39 0.00 0.00 0.00 0.00 53.44 51.58 2dm3 n ALA 102 Cb 0.52 -1.53 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.57 2.70 0.45 0.00 2.36 -1.26 -4.43 119.74 115.98 2dm3 s LYS 103 Ca 0.57 -2.36 -0.22 0.00 -2.55 0.00 0.00 55.97 51.40 2dm3 s LYS 103 Cb -0.13 -3.87 -0.11 0.00 -1.05 0.00 0.00 37.83 32.67 2dm3 s LYS 103 CO 0.64 -1.19 0.75 -0.85 1.55 0.00 0.00 175.35 176.26 2dm3 n GLU 104 N 3.85 0.88 -1.07 4.03 0.28 -1.26 -4.78 120.64 122.57 2dm3 n GLU 104 Ca 0.06 0.32 -0.28 0.00 -0.16 0.00 0.00 57.16 57.10 2dm3 n GLU 104 Cb 0.40 -1.77 -0.05 0.00 1.43 0.00 0.00 31.44 31.44 2dm3 n GLU 104 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2dm3 n SER 105 N 0.76 6.85 -4.04 -1.84 7.64 -1.26 -4.75 113.62 116.98 2dm3 n SER 105 Ca 0.11 -2.46 -0.34 0.00 1.01 0.00 0.00 58.87 57.20 2dm3 n SER 105 Cb 0.40 -1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.14 2dm3 n SER 105 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm3 s GLY 106 N 2.46 2.80 0.45 0.23 0.00 -1.26 -5.08 107.32 106.91 2dm3 s GLY 106 Ca 0.60 -3.61 -0.23 0.00 0.00 0.00 0.00 44.72 41.48 2dm3 s GLY 106 CO -0.04 1.12 1.17 2.56 0.00 0.00 0.00 173.10 177.91 2dm3 s PRO 107 N -0.87 3.82 0.29 2.90 0.04 -1.26 -5.06 135.00 134.86 2dm3 s PRO 107 Ca 0.22 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2dm3 s PRO 107 Cb -0.13 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2dm3 s PRO 107 CO -0.09 -0.50 0.01 0.43 0.04 0.00 0.00 177.00 176.88 2dm3 n SER 108 N -0.35 2.78 -4.45 6.66 7.64 -1.26 -5.11 113.62 119.53 2dm3 n SER 108 Ca 0.07 -2.26 -0.37 0.00 1.01 0.00 0.00 58.87 57.31 2dm3 n SER 108 Cb 0.48 0.20 0.05 0.00 -1.01 0.00 0.00 64.21 63.93 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 -1.20 -1.31 -0.51 6.43 2.88 -1.26 -5.34 113.62 113.31 2dm3 n SER 109 Ca -0.12 0.64 0.06 0.00 -1.33 0.00 0.00 58.87 58.13 2dm3 n SER 109 Cb 0.37 -1.18 0.05 0.00 -0.75 0.00 0.00 64.21 62.70 2dm3 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42