#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 s SER 2 N 0.00 6.59 -0.09 1.61 0.01 -1.26 -5.10 113.70 115.47 2dm4 s SER 2 Ca 0.00 1.00 -0.12 0.00 1.31 0.00 0.00 55.95 58.14 2dm4 s SER 2 Cb 0.00 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 64.00 2dm4 s SER 2 CO 0.00 -0.20 0.30 -0.94 0.41 0.00 0.00 173.24 172.82 2dm4 s SER 3 N -2.69 -0.27 -0.36 2.44 1.04 -1.26 -5.05 113.70 107.54 2dm4 s SER 3 Ca 0.49 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 57.33 2dm4 s SER 3 Cb -0.11 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2dm4 s SER 3 CO 0.24 -0.21 2.82 0.61 0.98 0.00 0.00 173.24 177.68 2dm4 n GLY 4 N 2.41 4.09 3.56 7.32 0.00 -1.26 -4.90 105.19 116.41 2dm4 n GLY 4 Ca -0.16 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 2dm4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 5 N 0.61 6.22 0.23 1.61 0.01 -1.26 -5.07 113.70 116.04 2dm4 s SER 5 Ca 0.57 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.77 2dm4 s SER 5 Cb 0.35 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2dm4 s SER 5 CO -0.16 -0.34 0.33 -0.94 0.41 0.00 0.00 173.24 172.54 2dm4 s SER 6 N 1.72 6.22 0.47 2.44 1.04 -1.26 -5.13 113.70 119.20 2dm4 s SER 6 Ca 0.14 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.65 2dm4 s SER 6 Cb -0.16 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 2dm4 s SER 6 CO 0.12 -0.05 0.01 -0.83 0.98 0.00 0.00 173.24 173.47 2dm4 s GLY 7 N -3.84 2.80 0.00 7.32 0.00 -1.26 -5.01 107.32 107.33 2dm4 s GLY 7 Ca 0.34 -1.24 0.15 0.00 0.00 0.00 0.00 44.72 43.97 2dm4 s GLY 7 CO 0.28 -2.15 1.37 -1.55 0.00 0.00 0.00 173.10 171.05 2dm4 n PRO 8 N -1.13 0.36 -0.32 2.90 -0.04 -1.26 -3.59 135.00 131.92 2dm4 n PRO 8 Ca -0.13 0.07 0.17 0.00 -0.04 0.00 0.00 63.50 63.56 2dm4 n PRO 8 Cb 0.67 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.99 2dm4 n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dm4 h ASP 9 N 0.00 0.47 -4.19 3.54 5.19 -1.92 -3.21 116.42 116.29 2dm4 h ASP 9 Ca 0.00 0.16 -0.50 0.00 -0.62 0.00 0.00 57.03 56.07 2dm4 h ASP 9 Cb 0.06 0.11 0.06 0.00 0.18 0.00 0.00 39.33 39.74 2dm4 h ASP 9 CO 0.00 0.00 0.35 0.00 -3.12 0.00 0.00 179.24 176.47 2dm4 s ALA 10 N -5.81 3.12 1.12 3.45 0.00 -1.24 -4.43 121.76 117.97 2dm4 s ALA 10 Ca -0.11 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 2dm4 s ALA 10 Cb 0.27 -2.94 0.25 0.00 0.00 0.00 0.00 23.12 20.69 2dm4 s ALA 10 CO 0.79 -0.75 1.10 -1.25 0.00 0.00 0.00 175.76 175.65 2dm4 s PRO 11 N -5.13 -0.59 0.19 0.00 0.04 -1.26 -4.29 135.00 123.97 2dm4 s PRO 11 Ca 0.54 0.16 -0.07 0.00 0.04 0.00 0.00 61.00 61.67 2dm4 s PRO 11 Cb -0.11 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2dm4 s PRO 11 CO 0.51 -3.33 0.28 1.03 0.04 0.00 0.00 177.00 175.53 2dm4 s ARG 12 N -5.22 1.25 -0.68 4.56 0.52 -0.91 -4.72 118.95 113.74 2dm4 s ARG 12 Ca 0.69 -1.33 -0.02 0.00 -0.52 0.00 0.00 55.73 54.55 2dm4 s ARG 12 Cb -0.13 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.70 2dm4 s ARG 12 CO 0.57 -0.46 0.58 -1.71 0.02 0.00 0.00 175.30 174.30 2dm4 n ASN 13 N -0.26 -2.78 -4.63 0.23 5.15 -1.26 0.20 115.26 111.90 2dm4 n ASN 13 Ca -0.03 -0.32 -0.43 0.00 -0.60 0.00 0.00 54.58 53.19 2dm4 n ASN 13 Cb 0.63 -3.01 -0.03 0.00 -0.53 0.00 0.00 39.78 36.85 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dm4 s LEU 14 N -4.40 3.92 -0.19 1.20 2.96 -1.26 -3.95 118.68 116.96 2dm4 s LEU 14 Ca 0.10 1.71 -0.03 0.00 -0.22 0.00 0.00 54.13 55.70 2dm4 s LEU 14 Cb -0.05 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.17 2dm4 s LEU 14 CO 0.40 -1.26 0.03 -1.10 -1.32 0.00 0.00 176.35 173.10 2dm4 s GLN 15 N 4.70 0.72 0.11 1.98 -1.52 -0.74 -4.96 119.66 119.95 2dm4 s GLN 15 Ca 0.73 -0.44 -0.11 0.00 -1.95 0.00 0.00 55.36 53.59 2dm4 s GLN 15 Cb -0.26 -2.09 -0.06 0.00 -0.22 0.00 0.00 33.01 30.37 2dm4 s GLN 15 CO 0.30 -0.62 0.47 -0.51 -0.25 0.00 0.00 175.29 174.67 2dm4 s LEU 16 N 1.83 4.33 0.28 2.90 2.01 -1.26 -0.98 118.68 127.80 2dm4 s LEU 16 Ca -0.01 0.90 0.03 0.00 0.01 0.00 0.00 54.13 55.06 2dm4 s LEU 16 Cb -0.17 -3.14 -0.04 0.00 0.01 0.00 0.00 46.19 42.85 2dm4 s LEU 16 CO -0.08 0.13 0.17 -0.44 1.01 0.00 0.00 176.35 177.14 2dm4 s SER 17 N -1.79 1.23 -0.11 2.29 0.01 0.12 -4.96 113.70 110.49 2dm4 s SER 17 Ca 0.36 -1.54 0.03 0.00 1.31 0.00 0.00 55.95 56.11 2dm4 s SER 17 Cb -0.14 0.40 0.01 0.00 0.21 0.00 0.00 66.02 66.49 2dm4 s SER 17 CO 0.19 -0.89 -0.21 -0.76 0.41 0.00 0.00 173.24 171.97 2dm4 s LEU 18 N -3.32 2.00 0.09 2.44 2.01 -1.26 -0.26 118.68 120.38 2dm4 s LEU 18 Ca 0.37 -0.53 -0.31 0.00 0.01 0.00 0.00 54.13 53.67 2dm4 s LEU 18 Cb 0.05 -1.32 -0.07 0.00 0.01 0.00 0.00 46.19 44.86 2dm4 s LEU 18 CO 0.18 0.10 1.37 -2.16 1.01 0.00 0.00 176.35 176.86 2dm4 s PRO 19 N 0.60 4.33 0.00 1.29 0.04 -1.26 -4.90 135.00 135.09 2dm4 s PRO 19 Ca -0.13 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.23 2dm4 s PRO 19 Cb -0.17 -3.30 1.61 0.00 0.04 0.00 0.00 34.50 32.69 2dm4 s PRO 19 CO 0.04 -0.44 2.05 2.89 0.04 0.00 0.00 177.00 181.58 2dm4 n ARG 20 N 4.14 1.12 0.00 4.56 1.85 -1.26 -3.07 116.66 124.00 2dm4 n ARG 20 Ca 0.11 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2dm4 n ARG 20 Cb 0.43 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 2dm4 n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dm4 n GLU 21 N -0.75 0.76 -3.79 2.89 1.02 -1.26 -4.90 120.64 114.60 2dm4 n GLU 21 Ca 0.21 -0.86 -0.14 0.00 -0.02 0.00 0.00 57.16 56.36 2dm4 n GLU 21 Cb 0.14 -0.92 -0.15 0.00 -0.02 0.00 0.00 31.44 30.50 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm4 s ALA 22 N -0.40 -0.11 0.11 0.62 0.00 -1.18 -5.16 121.76 115.65 2dm4 s ALA 22 Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2dm4 s ALA 22 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2dm4 s ALA 22 CO 0.00 -0.10 0.32 -1.21 0.00 0.00 0.00 175.76 174.77 2dm4 s GLU 23 N 0.77 3.57 -1.67 0.00 2.02 -1.26 -4.30 118.70 117.83 2dm4 s GLU 23 Ca -0.06 -0.19 -0.02 0.00 0.02 0.00 0.00 54.97 54.72 2dm4 s GLU 23 Cb -0.08 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2dm4 s GLU 23 CO -0.03 0.52 0.19 0.41 0.02 0.00 0.00 175.26 176.36 2dm4 n GLY 24 N 0.19 -0.51 3.25 -1.39 0.00 -1.26 -4.73 105.19 100.73 2dm4 n GLY 24 Ca -0.03 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2dm4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm4 s VAL 25 N -3.06 1.63 -0.11 1.61 1.01 -1.26 -0.12 120.40 120.10 2dm4 s VAL 25 Ca 0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 2dm4 s VAL 25 Cb -0.04 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.93 2dm4 s VAL 25 CO 0.12 0.15 -0.06 -0.63 0.00 0.00 0.00 175.10 174.68 2dm4 s ILE 26 N -0.86 0.90 -0.55 2.22 1.01 0.94 -4.20 121.20 120.66 2dm4 s ILE 26 Ca 0.07 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 2dm4 s ILE 26 Cb -0.09 -0.98 0.07 0.00 0.01 0.00 0.00 42.46 41.47 2dm4 s ILE 26 CO 0.02 0.31 0.73 -0.69 0.00 0.00 0.00 174.94 175.30 2dm4 s VAL 27 N 1.75 4.73 -0.07 2.92 1.01 0.64 -0.57 120.40 130.81 2dm4 s VAL 27 Ca 0.04 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 2dm4 s VAL 27 Cb -0.13 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2dm4 s VAL 27 CO -0.08 -0.98 0.46 -0.83 0.00 0.00 0.00 175.10 173.67 2dm4 s GLY 28 N 3.00 2.44 0.37 4.51 0.00 -0.98 0.16 107.32 116.82 2dm4 s GLY 28 Ca 0.18 -0.19 0.08 0.00 0.00 0.00 0.00 44.72 44.79 2dm4 s GLY 28 CO 0.12 0.56 -0.04 0.30 0.00 0.00 0.00 173.10 174.04 2dm4 s HIS 29 N 0.01 2.42 0.07 1.90 3.76 -0.15 -1.71 115.29 121.58 2dm4 s HIS 29 Ca 0.25 -0.61 -0.15 0.00 -0.15 0.00 0.00 55.06 54.40 2dm4 s HIS 29 Cb -0.16 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.03 2dm4 s HIS 29 CO 0.12 0.48 0.71 -2.67 -0.85 0.00 0.00 174.74 172.53 2dm4 n TRP 30 N -0.86 -0.78 -4.37 1.40 2.14 -1.02 -1.80 117.44 112.15 2dm4 n TRP 30 Ca -0.05 -0.67 -0.19 0.00 2.07 0.00 0.00 57.50 58.65 2dm4 n TRP 30 Cb 0.65 0.32 -0.10 0.00 -0.81 0.00 0.00 31.31 31.38 2dm4 n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dm4 s ALA 31 N -1.65 2.15 0.48 -1.67 0.00 0.52 -4.83 121.76 116.77 2dm4 s ALA 31 Ca 0.16 -1.70 -0.22 0.00 0.00 0.00 0.00 51.96 50.20 2dm4 s ALA 31 Cb -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.92 2dm4 s ALA 31 CO 0.02 0.10 1.15 -1.25 0.00 0.00 0.00 175.76 175.79 2dm4 s PRO 32 N -3.62 3.65 0.27 0.00 0.04 -1.26 -2.14 135.00 131.93 2dm4 s PRO 32 Ca 0.24 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2dm4 s PRO 32 Cb -0.01 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2dm4 s PRO 32 CO 0.08 -0.63 1.26 -1.25 0.04 0.00 0.00 177.00 176.50 2dm4 s PRO 33 N -2.86 4.44 0.15 0.56 0.04 -1.26 -4.63 135.00 131.44 2dm4 s PRO 33 Ca 0.66 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.57 2dm4 s PRO 33 Cb -0.27 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.16 2dm4 s PRO 33 CO 0.32 -0.12 1.69 0.82 0.04 0.00 0.00 177.00 179.75 2dm4 h ILE 34 N 3.34 0.70 -2.48 0.56 2.04 -1.82 -3.42 117.51 116.42 2dm4 h ILE 34 Ca -0.47 -0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 2dm4 h ILE 34 Cb 1.22 0.68 -0.26 0.00 -0.74 0.00 0.00 36.82 37.72 2dm4 h ILE 34 CO 0.70 0.00 -0.31 -2.28 0.00 0.00 0.00 178.15 176.27 2dm4 s HIS 35 N -6.21 -0.80 0.47 1.37 5.04 -1.26 -5.07 115.29 108.83 2dm4 s HIS 35 Ca -0.14 1.56 0.07 0.00 -1.54 0.00 0.00 55.06 55.02 2dm4 s HIS 35 Cb 0.13 0.35 0.01 0.00 0.04 0.00 0.00 32.58 33.11 2dm4 s HIS 35 CO 0.70 -0.46 0.41 0.95 -2.34 0.00 0.00 174.74 174.00 2dm4 s THR 36 N 2.24 2.25 -0.49 0.89 -4.23 -1.26 -3.19 115.64 111.84 2dm4 s THR 36 Ca -0.05 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 2dm4 s THR 36 Cb -0.11 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.38 2dm4 s THR 36 CO -0.14 0.00 2.16 1.41 -0.54 0.00 0.00 174.62 177.51 2dm4 n HIS 37 N -1.67 2.17 0.00 3.99 8.25 -1.26 -4.91 115.22 121.79 2dm4 n HIS 37 Ca 0.03 -2.31 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 2dm4 n HIS 37 Cb 0.63 -1.20 0.00 0.00 1.12 0.00 0.00 29.99 30.54 2dm4 n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dm4 n GLY 38 N -0.01 4.58 3.52 -1.41 0.00 -1.26 -4.87 105.19 105.74 2dm4 n GLY 38 Ca 0.45 -1.32 -0.57 0.00 0.00 0.00 0.00 46.02 44.58 2dm4 n GLY 38 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dm4 n LEU 39 N 0.00 0.40 -4.67 0.99 7.94 -1.26 -4.74 117.00 115.65 2dm4 n LEU 39 Ca 0.00 1.15 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 2dm4 n LEU 39 Cb 0.00 -0.99 -0.03 0.00 0.53 0.00 0.00 43.42 42.94 2dm4 n LEU 39 CO 0.00 -1.70 0.82 -0.63 -1.11 0.00 0.00 177.39 174.77 2dm4 s ILE 40 N 0.11 4.75 -0.09 1.96 1.01 -1.26 -3.80 121.20 123.89 2dm4 s ILE 40 Ca 0.89 1.94 -0.23 0.00 0.00 0.00 0.00 60.65 63.24 2dm4 s ILE 40 Cb -1.19 -4.27 -0.29 0.00 0.01 0.00 0.00 42.46 36.72 2dm4 s ILE 40 CO 0.54 -0.09 0.79 0.03 0.00 0.00 0.00 174.94 176.21 2dm4 h ARG 41 N 7.36 0.19 -2.65 2.79 3.08 -1.80 -3.50 114.38 119.85 2dm4 h ARG 41 Ca -0.24 -0.32 0.13 0.00 0.07 0.00 0.00 59.98 59.62 2dm4 h ARG 41 Cb 1.10 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2dm4 h ARG 41 CO 0.92 1.15 0.54 -1.83 -1.07 0.00 0.00 179.97 179.68 2dm4 s GLU 42 N -2.36 1.51 -0.14 0.04 1.03 -1.26 -5.06 118.70 112.45 2dm4 s GLU 42 Ca -0.17 -0.98 0.01 0.00 0.03 0.00 0.00 54.97 53.86 2dm4 s GLU 42 Cb 0.00 0.41 0.02 0.00 -0.80 0.00 0.00 34.13 33.76 2dm4 s GLU 42 CO 0.77 -0.71 -0.16 0.71 -1.33 0.00 0.00 175.26 174.54 2dm4 s TYR 43 N -2.07 2.24 0.24 4.83 2.02 -1.19 -1.98 117.35 121.44 2dm4 s TYR 43 Ca 0.22 -1.20 -0.12 0.00 -0.37 0.00 0.00 57.07 55.59 2dm4 s TYR 43 Cb -0.03 -1.61 -0.08 0.00 -0.40 0.00 0.00 41.96 39.84 2dm4 s TYR 43 CO 0.07 -0.63 0.60 -1.50 -1.57 0.00 0.00 175.55 172.53 2dm4 s ILE 44 N 1.24 4.84 -0.19 2.71 2.07 -0.67 -1.53 121.20 129.66 2dm4 s ILE 44 Ca 0.00 0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 59.93 2dm4 s ILE 44 Cb -0.14 -3.65 0.05 0.00 0.13 0.00 0.00 42.46 38.85 2dm4 s ILE 44 CO -0.07 -0.02 -0.03 0.68 -1.91 0.00 0.00 174.94 173.58 2dm4 s VAL 45 N -1.78 1.13 0.00 4.00 -7.23 -0.69 -1.21 120.40 114.62 2dm4 s VAL 45 Ca 0.47 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.81 2dm4 s VAL 45 Cb -0.12 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2dm4 s VAL 45 CO 0.20 -0.02 0.16 -1.61 -0.31 0.00 0.00 175.10 173.52 2dm4 s GLU 46 N 1.60 3.32 0.02 4.82 0.41 0.34 -2.62 118.70 126.60 2dm4 s GLU 46 Ca -0.02 -0.39 -0.15 0.00 -0.41 0.00 0.00 54.97 54.00 2dm4 s GLU 46 Cb -0.17 -3.02 0.03 0.00 -1.78 0.00 0.00 34.13 29.19 2dm4 s GLU 46 CO -0.07 0.66 0.34 1.52 -0.49 0.00 0.00 175.26 177.21 2dm4 s TYR 47 N -1.32 -0.17 -0.27 1.61 1.13 -0.97 -0.91 117.35 116.45 2dm4 s TYR 47 Ca 0.27 0.15 -0.22 0.00 -1.41 0.00 0.00 57.07 55.86 2dm4 s TYR 47 Cb -0.12 0.13 0.08 0.00 -1.10 0.00 0.00 41.96 40.94 2dm4 s TYR 47 CO 0.19 -0.48 0.72 0.45 -2.51 0.00 0.00 175.55 173.92 2dm4 s SER 48 N -1.78 -0.81 0.11 -0.18 0.15 -1.00 -1.76 113.70 108.44 2dm4 s SER 48 Ca -0.08 1.44 -0.31 0.00 0.70 0.00 0.00 55.95 57.70 2dm4 s SER 48 Cb -0.02 1.42 -0.09 0.00 -1.71 0.00 0.00 66.02 65.61 2dm4 s SER 48 CO -0.00 -0.24 1.66 -0.60 1.20 0.00 0.00 173.24 175.25 2dm4 s ARG 49 N 0.83 4.19 -0.99 5.44 3.52 -1.26 -2.47 118.95 128.21 2dm4 s ARG 49 Ca -0.04 2.39 -0.25 0.00 -0.13 0.00 0.00 55.73 57.71 2dm4 s ARG 49 Cb -0.05 -3.45 -0.25 0.00 -1.56 0.00 0.00 34.95 29.65 2dm4 s ARG 49 CO -0.07 -0.71 2.52 0.45 -0.81 0.00 0.00 175.30 176.68 2dm4 n SER 50 N 5.06 -0.16 0.00 -2.12 2.88 -1.02 -3.23 113.62 115.04 2dm4 n SER 50 Ca 0.16 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2dm4 n SER 50 Cb 0.39 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 51 N 6.16 0.73 3.60 0.46 0.00 -1.26 -5.04 105.19 109.83 2dm4 n GLY 51 Ca 0.66 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2dm4 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 52 N -0.74 -0.32 -0.07 1.61 0.01 -1.20 -5.03 113.70 107.96 2dm4 s SER 52 Ca 0.00 0.42 0.18 0.00 1.31 0.00 0.00 55.95 57.86 2dm4 s SER 52 Cb 0.00 0.35 0.64 0.00 0.21 0.00 0.00 66.02 67.22 2dm4 s SER 52 CO 0.00 -0.26 1.54 0.29 0.41 0.00 0.00 173.24 175.22 2dm4 n LYS 53 N 0.98 3.19 -4.81 12.44 5.02 -1.26 -4.90 118.16 128.81 2dm4 n LYS 53 Ca -0.09 -2.56 -0.27 0.00 -2.02 0.00 0.00 58.31 53.37 2dm4 n LYS 53 Cb 0.58 -1.74 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 2dm4 n LYS 53 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dm4 s MET 54 N -1.58 1.56 0.06 1.97 -1.94 -1.26 -5.15 119.30 112.97 2dm4 s MET 54 Ca 0.46 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 2dm4 s MET 54 Cb 0.28 -1.62 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 2dm4 s MET 54 CO 0.25 0.43 -0.12 -1.58 -0.01 0.00 0.00 175.02 173.99 2dm4 s TRP 55 N -0.70 1.01 -0.20 -0.03 0.52 -1.26 -4.72 118.94 113.56 2dm4 s TRP 55 Ca 0.08 -0.49 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 2dm4 s TRP 55 Cb -0.09 -0.58 0.01 0.00 -1.15 0.00 0.00 33.47 31.67 2dm4 s TRP 55 CO 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 176.95 176.86 2dm4 s ALA 56 N -1.43 2.55 0.13 0.98 0.00 -0.72 -4.95 121.76 118.32 2dm4 s ALA 56 Ca -0.04 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.73 2dm4 s ALA 56 Cb -0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2dm4 s ALA 56 CO 0.01 -0.45 0.05 -1.54 0.00 0.00 0.00 175.76 173.84 2dm4 s SER 57 N 1.36 5.18 0.05 0.00 1.04 -1.26 -2.28 113.70 117.78 2dm4 s SER 57 Ca 0.04 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.13 2dm4 s SER 57 Cb -0.14 -1.27 0.02 0.00 0.10 0.00 0.00 66.02 64.74 2dm4 s SER 57 CO -0.08 0.12 0.33 0.00 0.98 0.00 0.00 173.24 174.58 2dm4 s GLN 58 N -2.73 0.84 0.14 4.02 -2.07 -1.08 -4.96 119.66 113.82 2dm4 s GLN 58 Ca 0.28 -0.48 -0.22 0.00 -1.82 0.00 0.00 55.36 53.12 2dm4 s GLN 58 Cb -0.11 0.36 -0.08 0.00 -1.09 0.00 0.00 33.01 32.10 2dm4 s GLN 58 CO 0.20 -0.27 0.69 1.03 -1.32 0.00 0.00 175.29 175.62 2dm4 s ARG 59 N -2.57 4.39 -0.10 9.60 1.81 -1.26 -1.70 118.95 129.12 2dm4 s ARG 59 Ca -0.05 0.96 0.02 0.00 -1.72 0.00 0.00 55.73 54.94 2dm4 s ARG 59 Cb -0.01 -3.20 0.02 0.00 -0.45 0.00 0.00 34.95 31.31 2dm4 s ARG 59 CO -0.03 0.57 -0.14 0.00 -0.68 0.00 0.00 175.30 175.02 2dm4 s ALA 60 N -1.19 1.57 0.06 2.13 0.00 -0.59 -4.97 121.76 118.78 2dm4 s ALA 60 Ca 0.34 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 2dm4 s ALA 60 Cb -0.21 -0.79 -0.13 0.00 0.00 0.00 0.00 23.12 22.00 2dm4 s ALA 60 CO 0.23 -0.08 1.35 0.00 0.00 0.00 0.00 175.76 177.27 2dm4 h ALA 61 N 7.42 0.30 -5.35 0.00 0.00 -1.86 -3.14 119.26 116.62 2dm4 h ALA 61 Ca -0.31 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 53.96 2dm4 h ALA 61 Cb 1.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2dm4 h ALA 61 CO 0.48 0.28 -0.04 0.43 0.00 0.00 0.00 179.25 180.41 2dm4 n SER 62 N -4.38 1.11 -1.67 0.00 7.64 -1.26 -4.88 113.62 110.18 2dm4 n SER 62 Ca -0.05 -1.81 -0.05 0.00 1.01 0.00 0.00 58.87 57.97 2dm4 n SER 62 Cb 0.45 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dm4 n ASN 63 N -2.64 5.51 -3.19 6.43 4.13 -1.26 -4.80 115.26 119.43 2dm4 n ASN 63 Ca 0.08 -2.53 -0.04 0.00 1.68 0.00 0.00 54.58 53.78 2dm4 n ASN 63 Cb 0.31 -1.17 0.02 0.00 -1.54 0.00 0.00 39.78 37.40 2dm4 n ASN 63 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2dm4 n PHE 64 N 1.50 -1.45 -3.78 3.10 -1.74 -1.26 -2.45 117.46 111.38 2dm4 n PHE 64 Ca 0.13 -1.30 -0.03 0.00 -0.56 0.00 0.00 57.45 55.68 2dm4 n PHE 64 Cb 0.58 0.64 -0.00 0.00 1.52 0.00 0.00 39.48 42.22 2dm4 n PHE 64 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2dm4 s THR 65 N -2.08 0.00 -0.32 1.97 -1.32 -0.70 -4.64 115.64 108.56 2dm4 s THR 65 Ca 0.22 -0.63 -0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2dm4 s THR 65 Cb -0.03 -2.27 0.10 0.00 -1.51 0.00 0.00 72.50 68.79 2dm4 s THR 65 CO 0.06 0.00 0.10 -1.61 -2.21 0.00 0.00 174.62 170.96 2dm4 s GLU 66 N -2.90 0.83 -0.63 7.08 2.02 -1.26 -2.33 118.70 121.51 2dm4 s GLU 66 Ca 0.15 -1.22 -0.26 0.00 0.02 0.00 0.00 54.97 53.67 2dm4 s GLU 66 Cb -0.01 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 32.10 2dm4 s GLU 66 CO 0.03 -0.99 1.10 0.42 0.02 0.00 0.00 175.26 175.84 2dm4 s ILE 67 N 1.47 4.10 0.45 -1.63 1.01 0.27 -4.88 121.20 121.99 2dm4 s ILE 67 Ca 0.10 0.32 0.04 0.00 0.00 0.00 0.00 60.65 61.12 2dm4 s ILE 67 Cb -0.18 -4.72 0.08 0.00 0.01 0.00 0.00 42.46 37.65 2dm4 s ILE 67 CO -0.22 -1.45 0.61 0.29 0.00 0.00 0.00 174.94 174.17 2dm4 n LYS 68 N 8.29 0.49 -3.09 2.79 5.02 -1.26 -0.04 118.16 130.35 2dm4 n LYS 68 Ca 0.02 -2.08 -0.13 0.00 -2.02 0.00 0.00 58.31 54.11 2dm4 n LYS 68 Cb 0.48 -0.28 0.07 0.00 -0.02 0.00 0.00 35.03 35.28 2dm4 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dm4 n ASN 69 N -2.69 -2.04 -4.62 4.39 3.02 -1.12 -4.92 115.26 107.28 2dm4 n ASN 69 Ca 0.12 -0.47 -0.28 0.00 -0.03 0.00 0.00 54.58 53.91 2dm4 n ASN 69 Cb 0.42 -4.04 -0.10 0.00 -0.61 0.00 0.00 39.78 35.44 2dm4 n ASN 69 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dm4 s LEU 70 N -5.33 2.69 -0.34 3.41 1.43 0.83 -5.05 118.68 116.32 2dm4 s LEU 70 Ca 0.00 -1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 51.56 2dm4 s LEU 70 Cb -0.00 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 2dm4 s LEU 70 CO 0.56 -0.54 0.21 -0.76 0.23 0.00 0.00 176.35 176.04 2dm4 s LEU 71 N -3.71 4.43 0.42 1.79 1.43 -1.26 -4.38 118.68 117.40 2dm4 s LEU 71 Ca 0.30 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.61 2dm4 s LEU 71 Cb 0.08 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 44.12 2dm4 s LEU 71 CO 0.15 -0.25 0.89 1.33 0.23 0.00 0.00 176.35 178.70 2dm4 n VAL 72 N 5.05 2.34 -3.41 -1.59 0.24 -1.26 -2.35 118.33 117.35 2dm4 n VAL 72 Ca -0.13 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.47 2dm4 n VAL 72 Cb 0.49 -0.99 0.07 0.00 -1.47 0.00 0.00 33.84 31.94 2dm4 n VAL 72 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dm4 n ASN 73 N 0.66 -5.28 -3.91 -1.34 3.02 -1.09 -4.87 115.26 102.44 2dm4 n ASN 73 Ca 0.10 -0.47 -0.18 0.00 -0.03 0.00 0.00 54.58 54.00 2dm4 n ASN 73 Cb 0.39 -4.40 -0.15 0.00 -0.61 0.00 0.00 39.78 35.01 2dm4 n ASN 73 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dm4 s THR 74 N -3.28 0.43 0.04 3.41 2.01 -0.99 -4.85 115.64 112.41 2dm4 s THR 74 Ca 0.44 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 2dm4 s THR 74 Cb -0.19 -0.43 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 2dm4 s THR 74 CO 0.63 0.17 1.42 -0.22 -0.69 0.00 0.00 174.62 175.92 2dm4 s LEU 75 N 0.46 4.34 -0.08 4.42 1.98 -1.26 -2.17 118.68 126.37 2dm4 s LEU 75 Ca -0.05 2.20 0.02 0.00 -2.89 0.00 0.00 54.13 53.40 2dm4 s LEU 75 Cb -0.09 -3.57 0.02 0.00 0.66 0.00 0.00 46.19 43.21 2dm4 s LEU 75 CO -0.00 -0.71 -0.12 -0.31 -1.89 0.00 0.00 176.35 173.31 2dm4 s TYR 76 N 2.07 1.55 -0.34 5.38 2.02 0.27 -2.43 117.35 125.87 2dm4 s TYR 76 Ca 0.65 -0.64 -0.18 0.00 -0.37 0.00 0.00 57.07 56.53 2dm4 s TYR 76 Cb -0.33 -1.16 -0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2dm4 s TYR 76 CO 0.28 -0.35 0.54 0.99 -1.57 0.00 0.00 175.55 175.43 2dm4 s THR 77 N 0.90 5.00 0.18 -0.71 2.01 -1.03 -2.45 115.64 119.53 2dm4 s THR 77 Ca -0.10 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.40 2dm4 s THR 77 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2dm4 s THR 77 CO 0.01 -0.20 0.09 -0.69 -0.69 0.00 0.00 174.62 173.14 2dm4 s VAL 78 N 2.44 4.20 -0.27 3.82 1.01 -0.97 -2.36 120.40 128.27 2dm4 s VAL 78 Ca 0.20 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.70 2dm4 s VAL 78 Cb -0.15 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.15 2dm4 s VAL 78 CO 0.13 -0.15 0.69 0.00 0.00 0.00 0.00 175.10 175.78 2dm4 s ARG 79 N -3.16 0.78 -0.02 2.72 1.70 -0.09 -1.97 118.95 118.92 2dm4 s ARG 79 Ca 0.30 1.04 0.03 0.00 -0.47 0.00 0.00 55.73 56.62 2dm4 s ARG 79 Cb -0.09 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 2dm4 s ARG 79 CO 0.22 -0.11 -0.08 0.08 -1.08 0.00 0.00 175.30 174.33 2dm4 s VAL 80 N 0.70 3.58 -0.02 4.99 1.01 -1.26 -0.50 120.40 128.91 2dm4 s VAL 80 Ca -0.03 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2dm4 s VAL 80 Cb -0.05 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2dm4 s VAL 80 CO -0.04 0.47 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 2dm4 s ALA 81 N -0.91 0.68 0.02 5.51 0.00 -0.35 -0.54 121.76 126.17 2dm4 s ALA 81 Ca 0.15 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 2dm4 s ALA 81 Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2dm4 s ALA 81 CO 0.05 0.11 0.99 0.00 0.00 0.00 0.00 175.76 176.91 2dm4 s ALA 82 N 0.15 3.18 -0.13 0.00 0.00 -1.26 -1.67 121.76 122.04 2dm4 s ALA 82 Ca -0.02 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 2dm4 s ALA 82 Cb -0.07 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2dm4 s ALA 82 CO 0.00 -0.20 0.05 0.08 0.00 0.00 0.00 175.76 175.69 2dm4 s VAL 83 N 0.83 4.72 0.36 0.00 1.01 -0.84 -1.84 120.40 124.65 2dm4 s VAL 83 Ca 0.51 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2dm4 s VAL 83 Cb -0.22 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 2dm4 s VAL 83 CO 0.28 0.56 0.05 0.42 0.00 0.00 0.00 175.10 176.41 2dm4 s THR 84 N -0.46 1.40 0.33 3.92 -4.23 -0.58 -2.33 115.64 113.68 2dm4 s THR 84 Ca 0.10 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.73 2dm4 s THR 84 Cb -0.12 -2.80 0.37 0.00 1.34 0.00 0.00 72.50 71.29 2dm4 s THR 84 CO 0.02 0.00 1.52 -0.24 -0.54 0.00 0.00 174.62 175.38 2dm4 n SER 85 N -0.84 0.14 0.26 3.99 2.88 -1.25 -0.47 113.62 118.33 2dm4 n SER 85 Ca -0.04 1.62 -0.13 0.00 -1.33 0.00 0.00 58.87 58.99 2dm4 n SER 85 Cb 0.67 -0.70 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 2dm4 n SER 85 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dm4 h ARG 86 N 0.00 -0.66 0.00 -1.46 2.43 -1.94 -3.50 114.38 109.25 2dm4 h ARG 86 Ca 0.72 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 2dm4 h ARG 86 Cb 1.75 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 2dm4 h ARG 86 CO -0.81 -0.38 0.00 0.41 -1.51 0.00 0.00 179.97 177.68 2dm4 n GLY 87 N -0.27 -0.75 3.76 2.80 0.00 0.38 -5.13 105.19 105.97 2dm4 n GLY 87 Ca -0.10 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2dm4 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm4 s ILE 88 N -3.00 2.79 0.00 -0.61 1.01 -1.26 -1.53 121.20 118.60 2dm4 s ILE 88 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2dm4 s ILE 88 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2dm4 s ILE 88 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2dm4 n GLY 89 N 1.33 2.27 3.77 6.18 0.00 -0.77 -4.95 105.19 113.02 2dm4 n GLY 89 Ca 0.02 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 2dm4 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm4 s ASN 90 N -0.77 5.19 -0.04 1.61 0.01 -1.26 -4.86 114.94 114.82 2dm4 s ASN 90 Ca 0.00 2.09 -0.15 0.00 -0.71 0.00 0.00 52.86 54.09 2dm4 s ASN 90 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 2dm4 s ASN 90 CO 0.00 -1.57 0.40 0.26 -1.51 0.00 0.00 177.10 174.68 2dm4 s TRP 91 N -2.14 3.66 0.72 2.20 0.52 -1.26 -4.17 118.94 118.47 2dm4 s TRP 91 Ca 0.69 0.93 -0.13 0.00 0.02 0.00 0.00 56.10 57.61 2dm4 s TRP 91 Cb -0.22 -2.33 0.03 0.00 -1.15 0.00 0.00 33.47 29.80 2dm4 s TRP 91 CO 0.38 0.52 1.11 -1.54 0.02 0.00 0.00 176.95 177.45 2dm4 s SER 92 N -0.63 4.69 -0.83 2.95 1.04 0.30 -4.80 113.70 116.42 2dm4 s SER 92 Ca 0.23 1.98 -0.26 0.00 0.48 0.00 0.00 55.95 58.39 2dm4 s SER 92 Cb -0.16 -2.54 -0.19 0.00 0.10 0.00 0.00 66.02 63.23 2dm4 s SER 92 CO 0.12 -1.92 2.50 -0.67 0.98 0.00 0.00 173.24 174.25 2dm4 n ASP 93 N -2.94 0.78 -4.69 7.02 -0.08 -1.26 -4.56 116.55 110.81 2dm4 n ASP 93 Ca 0.10 -0.32 -0.43 0.00 -1.51 0.00 0.00 54.79 52.63 2dm4 n ASP 93 Cb 0.52 -1.14 -0.03 0.00 2.34 0.00 0.00 41.12 42.81 2dm4 n ASP 93 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2dm4 n SER 94 N 12.25 3.83 -4.92 1.67 3.41 -1.26 -4.88 113.62 123.71 2dm4 n SER 94 Ca 0.56 1.02 -0.23 0.00 -0.26 0.00 0.00 58.87 59.97 2dm4 n SER 94 Cb 0.24 -1.52 -0.00 0.00 -0.26 0.00 0.00 64.21 62.67 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dm4 s LYS 95 N 2.04 2.39 -0.05 4.33 -0.14 -0.83 -4.95 119.74 122.54 2dm4 s LYS 95 Ca 0.80 -1.74 0.01 0.00 -1.36 0.00 0.00 55.97 53.69 2dm4 s LYS 95 Cb -0.54 -2.33 0.02 0.00 -1.68 0.00 0.00 37.83 33.30 2dm4 s LYS 95 CO 0.37 -0.49 -0.06 -1.54 -0.76 0.00 0.00 175.35 172.87 2dm4 s SER 96 N -4.30 1.14 0.03 2.83 1.04 -1.26 -2.30 113.70 110.88 2dm4 s SER 96 Ca 0.46 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.74 2dm4 s SER 96 Cb -0.03 -0.53 -0.02 0.00 0.10 0.00 0.00 66.02 65.54 2dm4 s SER 96 CO 0.28 -0.04 -0.07 -0.51 0.98 0.00 0.00 173.24 173.87 2dm4 s ILE 97 N 0.90 0.50 -0.36 -1.02 2.07 -1.02 -4.96 121.20 117.31 2dm4 s ILE 97 Ca -0.11 -0.92 -0.12 0.00 -1.41 0.00 0.00 60.65 58.09 2dm4 s ILE 97 Cb -0.15 -0.55 0.01 0.00 0.13 0.00 0.00 42.46 41.90 2dm4 s ILE 97 CO 0.01 -0.30 0.22 -0.89 -1.91 0.00 0.00 174.94 172.07 2dm4 s THR 98 N -1.16 4.87 1.21 4.00 2.01 -1.26 -0.56 115.64 124.74 2dm4 s THR 98 Ca -0.08 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 2dm4 s THR 98 Cb -0.09 -3.61 0.24 0.00 0.01 0.00 0.00 72.50 69.05 2dm4 s THR 98 CO 0.00 -0.13 0.54 0.35 -0.69 0.00 0.00 174.62 174.69 2dm4 n THR 99 N 5.05 0.00 -4.25 -0.82 -2.24 -0.92 -4.81 114.28 106.29 2dm4 n THR 99 Ca -0.12 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 2dm4 n THR 99 Cb 0.48 -0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 2dm4 n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2dm4 s ILE 100 N -2.23 1.19 -1.04 2.28 -4.36 -1.26 -2.67 121.20 113.11 2dm4 s ILE 100 Ca 0.59 -1.99 -0.13 0.00 -0.26 0.00 0.00 60.65 58.87 2dm4 s ILE 100 Cb -0.15 -1.77 0.22 0.00 1.25 0.00 0.00 42.46 42.00 2dm4 s ILE 100 CO 0.59 -0.69 1.11 -0.75 0.24 0.00 0.00 174.94 175.45 2dm4 s LYS 101 N -3.53 3.95 5.89 0.37 2.20 -1.26 -4.26 119.74 123.10 2dm4 s LYS 101 Ca 0.15 -2.67 0.00 0.00 -0.36 0.00 0.00 55.97 53.09 2dm4 s LYS 101 Cb 0.01 -4.70 0.00 0.00 -1.51 0.00 0.00 37.83 31.63 2dm4 s LYS 101 CO 0.01 -1.46 0.00 0.41 -0.36 0.00 0.00 175.35 173.95 2dm4 n GLY 102 N 3.76 3.21 3.01 5.54 0.00 -1.26 -3.79 105.19 115.67 2dm4 n GLY 102 Ca 0.25 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2dm4 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 103 N -4.00 5.01 -0.85 1.61 0.01 -1.26 -5.00 113.70 109.22 2dm4 s SER 103 Ca 0.00 -3.28 0.00 0.00 1.31 0.00 0.00 55.95 53.99 2dm4 s SER 103 Cb 0.00 -1.76 0.21 0.00 0.21 0.00 0.00 66.02 64.68 2dm4 s SER 103 CO 0.00 -0.23 0.73 0.61 0.41 0.00 0.00 173.24 174.75 2dm4 n GLY 104 N 2.84 4.14 0.19 3.44 0.00 -1.25 -4.88 105.19 109.67 2dm4 n GLY 104 Ca 0.12 -2.60 0.04 0.00 0.00 0.00 0.00 46.02 43.58 2dm4 n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 h PRO 105 N 5.76 0.00 -0.75 1.61 0.13 -1.95 -3.25 132.00 133.54 2dm4 h PRO 105 Ca 0.16 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.89 2dm4 h PRO 105 Cb 0.79 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.50 2dm4 h PRO 105 CO 0.83 0.38 -0.99 0.43 -0.23 0.00 0.00 178.00 178.43 2dm4 n SER 106 N -3.77 3.02 -3.95 1.44 7.64 -1.26 -5.10 113.62 111.64 2dm4 n SER 106 Ca -0.01 -2.89 -0.29 0.00 1.01 0.00 0.00 58.87 56.68 2dm4 n SER 106 Cb 0.46 -0.44 0.27 0.00 -1.01 0.00 0.00 64.21 63.49 2dm4 n SER 106 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dm4 s SER 107 N -3.61 0.00 0.00 6.43 1.04 -1.23 -5.29 113.70 111.04 2dm4 s SER 107 Ca 0.37 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2dm4 s SER 107 Cb 0.38 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2dm4 s SER 107 CO -0.02 -4.75 0.00 0.61 0.98 0.00 0.00 173.24 170.06