#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 h SER 2 N 0.00 -0.34 -3.46 1.61 0.02 -2.06 -3.43 113.55 105.89 2dm4 h SER 2 Ca 0.00 -0.09 -0.54 0.00 -0.84 0.00 0.00 61.79 60.32 2dm4 h SER 2 Cb 0.00 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2dm4 h SER 2 CO 0.00 -0.11 0.14 -0.94 -1.14 0.00 0.00 176.83 174.78 2dm4 s SER 3 N -4.97 7.32 0.00 3.07 1.04 -1.26 -4.85 113.70 114.05 2dm4 s SER 3 Ca -0.15 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2dm4 s SER 3 Cb 0.04 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2dm4 s SER 3 CO 0.61 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.64 2dm4 n GLY 4 N 1.71 3.12 4.02 7.32 0.00 -1.26 -4.96 105.19 115.14 2dm4 n GLY 4 Ca -0.06 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2dm4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm4 n SER 5 N 0.00 -3.56 -4.05 1.61 7.64 -1.26 -4.92 113.62 109.08 2dm4 n SER 5 Ca 0.00 -0.89 -0.34 0.00 1.01 0.00 0.00 58.87 58.64 2dm4 n SER 5 Cb 0.00 -3.39 -0.10 0.00 -1.01 0.00 0.00 64.21 59.71 2dm4 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dm4 s SER 6 N -3.48 5.17 0.47 6.43 0.01 -1.26 -4.85 113.70 116.18 2dm4 s SER 6 Ca 0.58 -3.16 0.04 0.00 1.31 0.00 0.00 55.95 54.73 2dm4 s SER 6 Cb -0.30 -1.81 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 2dm4 s SER 6 CO 0.87 -0.28 0.09 -0.83 0.41 0.00 0.00 173.24 173.51 2dm4 s GLY 7 N 0.13 2.68 0.42 3.44 0.00 -1.26 -5.02 107.32 107.70 2dm4 s GLY 7 Ca 0.20 -1.30 0.29 0.00 0.00 0.00 0.00 44.72 43.91 2dm4 s GLY 7 CO -0.06 -2.09 1.87 -0.56 0.00 0.00 0.00 173.10 172.27 2dm4 h PRO 8 N 1.38 0.00 -0.89 2.90 0.13 -1.98 -3.27 132.00 130.27 2dm4 h PRO 8 Ca -0.43 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.97 2dm4 h PRO 8 Cb 1.28 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 2dm4 h PRO 8 CO 0.73 0.00 0.10 -0.25 -0.23 0.00 0.00 178.00 178.34 2dm4 n ASP 9 N -2.71 -0.03 -4.78 1.44 8.00 -1.12 -3.87 116.55 113.48 2dm4 n ASP 9 Ca 0.01 1.50 -0.37 0.00 0.71 0.00 0.00 54.79 56.65 2dm4 n ASP 9 Cb 0.26 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 2dm4 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dm4 s ALA 10 N -5.77 2.98 1.18 2.24 0.00 -1.24 -4.33 121.76 116.82 2dm4 s ALA 10 Ca -0.11 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 2dm4 s ALA 10 Cb 0.27 -3.34 0.28 0.00 0.00 0.00 0.00 23.12 20.32 2dm4 s ALA 10 CO 0.69 -0.52 1.11 -1.25 0.00 0.00 0.00 175.76 175.79 2dm4 s PRO 11 N -2.70 -1.03 0.31 0.00 0.04 -1.26 -4.47 135.00 125.89 2dm4 s PRO 11 Ca 0.63 0.00 0.02 0.00 0.04 0.00 0.00 61.00 61.68 2dm4 s PRO 11 Cb -0.26 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2dm4 s PRO 11 CO 0.32 -3.60 0.33 1.03 0.04 0.00 0.00 177.00 175.12 2dm4 s ARG 12 N -5.35 1.71 -1.20 4.56 0.52 -1.06 -4.75 118.95 113.37 2dm4 s ARG 12 Ca 0.70 -1.83 -0.02 0.00 -0.52 0.00 0.00 55.73 54.07 2dm4 s ARG 12 Cb -0.11 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.73 2dm4 s ARG 12 CO 0.56 -0.65 1.01 -1.71 0.02 0.00 0.00 175.30 174.53 2dm4 n ASN 13 N -1.23 -2.83 -4.55 0.23 5.15 -1.26 0.12 115.26 110.89 2dm4 n ASN 13 Ca 0.04 -0.59 -0.37 0.00 -0.60 0.00 0.00 54.58 53.06 2dm4 n ASN 13 Cb 0.63 -4.99 -0.03 0.00 -0.53 0.00 0.00 39.78 34.85 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 -6.42 3.26 -0.27 1.20 2.96 -1.25 -3.88 118.68 114.28 2dm4 s LEU 14 Ca 0.11 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2dm4 s LEU 14 Cb -0.05 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.12 2dm4 s LEU 14 CO 0.71 -2.17 -0.02 -1.10 -1.32 0.00 0.00 176.35 172.45 2dm4 s GLN 15 N 6.34 2.72 0.45 1.98 -0.21 0.13 -4.94 119.66 126.14 2dm4 s GLN 15 Ca 0.56 -1.07 -0.05 0.00 0.02 0.00 0.00 55.36 54.82 2dm4 s GLN 15 Cb -0.08 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 2dm4 s GLN 15 CO 0.09 -0.49 0.75 -0.51 -2.12 0.00 0.00 175.29 173.01 2dm4 s LEU 16 N 1.32 3.71 0.39 2.90 1.02 -1.26 -0.91 118.68 125.86 2dm4 s LEU 16 Ca -0.01 0.90 -0.13 0.00 0.02 0.00 0.00 54.13 54.91 2dm4 s LEU 16 Cb -0.18 -3.83 0.05 0.00 0.02 0.00 0.00 46.19 42.25 2dm4 s LEU 16 CO -0.02 -0.51 0.75 -0.44 0.02 0.00 0.00 176.35 176.15 2dm4 s SER 17 N -3.91 0.20 -0.02 2.29 0.01 0.11 -4.94 113.70 107.44 2dm4 s SER 17 Ca 0.47 -1.27 0.01 0.00 1.31 0.00 0.00 55.95 56.47 2dm4 s SER 17 Cb -0.10 0.84 0.01 0.00 0.21 0.00 0.00 66.02 66.98 2dm4 s SER 17 CO 0.41 -1.68 -0.02 -0.76 0.41 0.00 0.00 173.24 171.61 2dm4 s LEU 18 N -3.12 1.60 0.12 2.44 1.43 -1.26 -0.36 118.68 119.53 2dm4 s LEU 18 Ca 0.18 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 2dm4 s LEU 18 Cb -0.04 -0.20 -0.08 0.00 0.03 0.00 0.00 46.19 45.90 2dm4 s LEU 18 CO 0.14 -0.03 1.36 -2.16 0.23 0.00 0.00 176.35 175.89 2dm4 s PRO 19 N 0.46 4.34 0.00 1.29 0.04 -1.26 -4.90 135.00 134.96 2dm4 s PRO 19 Ca -0.04 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.31 2dm4 s PRO 19 Cb -0.07 -3.25 1.50 0.00 0.04 0.00 0.00 34.50 32.71 2dm4 s PRO 19 CO -0.01 -0.39 1.98 2.89 0.04 0.00 0.00 177.00 181.51 2dm4 n ARG 20 N 3.79 0.56 -0.01 4.56 1.85 -1.26 -2.77 116.66 123.38 2dm4 n ARG 20 Ca 0.11 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2dm4 n ARG 20 Cb 0.43 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.19 2.98 -3.75 2.89 -0.58 -1.26 -4.92 120.64 114.81 2dm4 n GLU 21 Ca 0.16 -1.52 -0.13 0.00 -0.42 0.00 0.00 57.16 55.25 2dm4 n GLU 21 Cb 0.18 -1.01 -0.11 0.00 -0.57 0.00 0.00 31.44 29.92 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dm4 s ALA 22 N -1.00 -0.78 0.52 0.62 0.00 -1.11 -5.17 121.76 114.84 2dm4 s ALA 22 Ca 0.01 0.98 0.09 0.00 0.00 0.00 0.00 51.96 53.04 2dm4 s ALA 22 Cb 0.01 -0.58 0.06 0.00 0.00 0.00 0.00 23.12 22.61 2dm4 s ALA 22 CO 0.01 -0.17 0.72 -1.21 0.00 0.00 0.00 175.76 175.11 2dm4 s GLU 23 N 0.45 2.48 -0.41 0.00 2.02 -1.26 -4.31 118.70 117.66 2dm4 s GLU 23 Ca -0.02 -1.49 -0.05 0.00 0.02 0.00 0.00 54.97 53.43 2dm4 s GLU 23 Cb -0.04 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.56 2dm4 s GLU 23 CO -0.02 -0.67 0.13 0.41 0.02 0.00 0.00 175.26 175.13 2dm4 n GLY 24 N -2.12 -0.41 3.12 -1.39 0.00 -1.26 -4.83 105.19 98.30 2dm4 n GLY 24 Ca 0.13 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.03 1.14 -0.03 1.61 1.01 -1.26 -1.43 120.40 119.41 2dm4 s VAL 25 Ca 0.18 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2dm4 s VAL 25 Cb -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2dm4 s VAL 25 CO 0.23 0.24 -0.18 -0.63 0.00 0.00 0.00 175.10 174.76 2dm4 s ILE 26 N -0.47 1.47 -0.40 2.22 1.01 -0.39 -4.26 121.20 120.38 2dm4 s ILE 26 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 2dm4 s ILE 26 Cb -0.06 -1.24 0.11 0.00 0.01 0.00 0.00 42.46 41.27 2dm4 s ILE 26 CO -0.00 0.42 0.18 -0.69 0.00 0.00 0.00 174.94 174.85 2dm4 s VAL 27 N -0.17 3.15 -0.15 2.92 1.01 0.51 0.13 120.40 127.81 2dm4 s VAL 27 Ca 0.01 -2.10 -0.17 0.00 0.00 0.00 0.00 61.98 59.72 2dm4 s VAL 27 Cb -0.10 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2dm4 s VAL 27 CO 0.01 -0.68 0.42 -0.83 0.00 0.00 0.00 175.10 174.02 2dm4 s GLY 28 N 1.70 2.29 0.18 4.51 0.00 -0.91 -0.72 107.32 114.37 2dm4 s GLY 28 Ca 0.09 -0.31 0.10 0.00 0.00 0.00 0.00 44.72 44.59 2dm4 s GLY 28 CO -0.05 0.72 -0.15 0.30 0.00 0.00 0.00 173.10 173.92 2dm4 s HIS 29 N 0.75 2.51 0.29 1.90 3.76 -0.08 -1.81 115.29 122.60 2dm4 s HIS 29 Ca 0.23 -0.27 -0.07 0.00 -0.15 0.00 0.00 55.06 54.79 2dm4 s HIS 29 Cb -0.15 -1.24 0.03 0.00 1.11 0.00 0.00 32.58 32.33 2dm4 s HIS 29 CO 0.08 0.50 0.50 -2.67 -0.85 0.00 0.00 174.74 172.30 2dm4 n TRP 30 N 0.17 -1.68 -4.39 1.40 2.14 -0.78 -0.69 117.44 113.60 2dm4 n TRP 30 Ca -0.12 -1.58 -0.20 0.00 2.07 0.00 0.00 57.50 57.68 2dm4 n TRP 30 Cb 0.55 0.58 -0.10 0.00 -0.81 0.00 0.00 31.31 31.53 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 -2.11 2.23 0.48 -1.67 0.00 0.33 -4.80 121.76 116.22 2dm4 s ALA 31 Ca 0.16 -1.77 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 2dm4 s ALA 31 Cb -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 2dm4 s ALA 31 CO 0.12 0.05 1.16 -1.25 0.00 0.00 0.00 175.76 175.83 2dm4 s PRO 32 N -3.66 3.68 0.26 0.00 0.04 -1.26 -2.57 135.00 131.49 2dm4 s PRO 32 Ca 0.26 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 2dm4 s PRO 32 Cb 0.00 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2dm4 s PRO 32 CO 0.10 -0.61 1.26 -1.25 0.04 0.00 0.00 177.00 176.54 2dm4 s PRO 33 N -2.81 4.43 0.54 0.56 0.04 -1.26 -4.64 135.00 131.86 2dm4 s PRO 33 Ca 0.65 2.06 0.30 0.00 0.04 0.00 0.00 61.00 64.05 2dm4 s PRO 33 Cb -0.28 -3.15 1.46 0.00 0.04 0.00 0.00 34.50 32.57 2dm4 s PRO 33 CO 0.33 -0.13 1.92 0.82 0.04 0.00 0.00 177.00 179.99 2dm4 h ILE 34 N 3.35 0.60 -3.11 0.56 2.04 -1.85 -3.44 117.51 115.66 2dm4 h ILE 34 Ca -0.47 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.41 2dm4 h ILE 34 Cb 1.22 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 2dm4 h ILE 34 CO 0.71 0.00 0.15 -2.28 0.00 0.00 0.00 178.15 176.73 2dm4 s HIS 35 N -4.98 -0.25 -0.06 1.37 2.46 -1.26 -5.07 115.29 107.49 2dm4 s HIS 35 Ca -0.05 -0.09 -0.24 0.00 0.47 0.00 0.00 55.06 55.14 2dm4 s HIS 35 Cb 0.21 0.55 0.05 0.00 -0.13 0.00 0.00 32.58 33.27 2dm4 s HIS 35 CO 0.76 -1.02 0.55 0.95 -2.47 0.00 0.00 174.74 173.50 2dm4 s THR 36 N -3.86 0.02 -0.18 0.89 -4.23 -1.26 -2.79 115.64 104.23 2dm4 s THR 36 Ca 0.08 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2dm4 s THR 36 Cb -0.03 -0.85 0.16 0.00 1.34 0.00 0.00 72.50 73.12 2dm4 s THR 36 CO -0.02 -0.08 1.72 0.00 -0.54 0.00 0.00 174.62 175.70 2dm4 n HIS 37 N 1.29 0.96 0.00 3.99 1.44 -1.26 -4.82 115.22 116.82 2dm4 n HIS 37 Ca -0.19 -1.34 0.00 0.00 -2.01 0.00 0.00 57.72 54.18 2dm4 n HIS 37 Cb 0.57 -0.66 0.00 0.00 0.12 0.00 0.00 29.99 30.01 2dm4 n HIS 37 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2dm4 n GLY 38 N 0.47 4.22 3.48 -1.39 0.00 -1.26 -4.89 105.19 105.82 2dm4 n GLY 38 Ca 0.19 -0.53 -0.56 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.21 -4.63 0.99 0.00 -1.26 -4.64 117.00 107.25 2dm4 n LEU 39 Ca 0.00 1.15 -0.43 0.00 0.00 0.00 0.00 56.01 56.73 2dm4 n LEU 39 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 43.42 42.45 2dm4 n LEU 39 CO 0.00 -2.13 0.90 -0.63 0.00 0.00 0.00 177.39 175.53 2dm4 s ILE 40 N -0.23 4.52 -0.01 1.96 1.01 -1.26 -3.78 121.20 123.40 2dm4 s ILE 40 Ca 0.84 1.54 -0.19 0.00 0.00 0.00 0.00 60.65 62.83 2dm4 s ILE 40 Cb -1.16 -4.40 -0.29 0.00 0.01 0.00 0.00 42.46 36.62 2dm4 s ILE 40 CO 0.56 -0.52 1.01 0.03 0.00 0.00 0.00 174.94 176.02 2dm4 h ARG 41 N 8.28 0.42 0.00 2.79 3.08 -1.85 -3.50 114.38 123.60 2dm4 h ARG 41 Ca -0.22 -0.58 0.14 0.00 0.07 0.00 0.00 59.98 59.40 2dm4 h ARG 41 Cb 1.07 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 2dm4 h ARG 41 CO 1.02 1.24 0.52 -0.85 -1.07 0.00 0.00 179.97 180.83 2dm4 n GLU 42 N -4.06 0.54 -4.21 0.04 0.00 -1.26 -5.04 120.64 106.66 2dm4 n GLU 42 Ca -0.13 -1.25 -0.28 0.00 0.00 0.00 0.00 57.16 55.50 2dm4 n GLU 42 Cb 0.83 1.71 -0.17 0.00 0.00 0.00 0.00 31.44 33.81 2dm4 n GLU 42 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2dm4 s TYR 43 N -2.62 1.81 0.34 -1.84 2.02 -1.20 -1.70 117.35 114.15 2dm4 s TYR 43 Ca 0.20 -0.89 -0.10 0.00 -0.37 0.00 0.00 57.07 55.90 2dm4 s TYR 43 Cb -0.02 -1.37 -0.07 0.00 -0.40 0.00 0.00 41.96 40.10 2dm4 s TYR 43 CO 0.05 -0.51 0.69 -1.50 -1.57 0.00 0.00 175.55 172.71 2dm4 s ILE 44 N 1.27 4.83 -0.19 2.71 2.07 -0.60 -0.63 121.20 130.66 2dm4 s ILE 44 Ca -0.01 0.57 -0.02 0.00 -1.41 0.00 0.00 60.65 59.77 2dm4 s ILE 44 Cb -0.14 -3.69 0.06 0.00 0.13 0.00 0.00 42.46 38.82 2dm4 s ILE 44 CO -0.05 -0.35 0.02 0.68 -1.91 0.00 0.00 174.94 173.33 2dm4 s VAL 45 N -2.16 0.62 -0.25 4.00 -7.23 -0.12 -1.19 120.40 114.08 2dm4 s VAL 45 Ca 0.50 -0.58 -0.10 0.00 -1.81 0.00 0.00 61.98 59.99 2dm4 s VAL 45 Cb -0.10 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 2dm4 s VAL 45 CO 0.27 -0.16 0.15 -1.61 -0.31 0.00 0.00 175.10 173.44 2dm4 s GLU 46 N 1.82 4.01 0.10 4.82 2.02 0.05 -2.53 118.70 128.98 2dm4 s GLU 46 Ca -0.01 -0.30 0.06 0.00 0.02 0.00 0.00 54.97 54.74 2dm4 s GLU 46 Cb -0.17 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 2dm4 s GLU 46 CO -0.08 0.01 -0.16 1.52 0.02 0.00 0.00 175.26 176.57 2dm4 s TYR 47 N 1.20 1.43 -0.26 1.61 1.13 -0.51 -1.33 117.35 120.61 2dm4 s TYR 47 Ca 0.07 -0.48 -0.16 0.00 -1.41 0.00 0.00 57.07 55.08 2dm4 s TYR 47 Cb -0.14 -0.77 0.07 0.00 -1.10 0.00 0.00 41.96 40.02 2dm4 s TYR 47 CO 0.06 0.13 0.65 0.45 -2.51 0.00 0.00 175.55 174.32 2dm4 s SER 48 N -2.06 -0.85 0.20 -0.18 0.15 -0.67 -0.66 113.70 109.63 2dm4 s SER 48 Ca 0.04 1.41 -0.33 0.00 0.70 0.00 0.00 55.95 57.78 2dm4 s SER 48 Cb -0.08 1.30 -0.13 0.00 -1.71 0.00 0.00 66.02 65.40 2dm4 s SER 48 CO 0.03 -0.23 1.60 -1.14 1.20 0.00 0.00 173.24 174.70 2dm4 n ARG 49 N 4.05 2.38 -1.58 5.44 0.63 -1.26 -2.64 116.66 123.67 2dm4 n ARG 49 Ca -0.19 0.85 -0.63 0.00 -0.92 0.00 0.00 57.85 56.96 2dm4 n ARG 49 Cb 0.58 -2.63 -0.10 0.00 0.45 0.00 0.00 32.46 30.76 2dm4 n ARG 49 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2dm4 n SER 50 N 3.29 1.08 -1.90 6.15 3.41 -0.02 -2.98 113.62 122.64 2dm4 n SER 50 Ca 0.15 1.05 -0.01 0.00 -0.26 0.00 0.00 58.87 59.80 2dm4 n SER 50 Cb 0.32 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm4 n GLY 51 N 4.16 -0.73 3.55 5.00 0.00 -1.26 -5.01 105.19 110.91 2dm4 n GLY 51 Ca 0.32 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.82 -0.45 -0.59 1.61 0.01 -1.16 -5.05 113.70 106.25 2dm4 s SER 52 Ca 0.04 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2dm4 s SER 52 Cb -0.01 0.38 0.47 0.00 0.21 0.00 0.00 66.02 67.06 2dm4 s SER 52 CO 0.21 -0.45 1.88 0.29 0.41 0.00 0.00 173.24 175.59 2dm4 n LYS 53 N 0.68 2.80 -3.60 12.44 5.02 -1.26 -4.87 118.16 129.37 2dm4 n LYS 53 Ca -0.13 -3.42 -0.18 0.00 -2.02 0.00 0.00 58.31 52.57 2dm4 n LYS 53 Cb 0.58 -2.27 -0.14 0.00 -0.02 0.00 0.00 35.03 33.17 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 -3.75 0.11 -0.06 1.97 -1.94 -1.26 -5.14 119.30 109.22 2dm4 s MET 54 Ca 0.62 0.38 0.04 0.00 -1.71 0.00 0.00 55.69 55.02 2dm4 s MET 54 Cb 0.49 -0.75 -0.02 0.00 2.01 0.00 0.00 34.83 36.56 2dm4 s MET 54 CO 0.00 -0.47 -0.18 -1.58 -0.01 0.00 0.00 175.02 172.78 2dm4 s TRP 55 N 2.30 2.61 -0.22 -0.03 0.52 -1.26 -4.54 118.94 118.33 2dm4 s TRP 55 Ca 0.04 -0.44 -0.06 0.00 0.02 0.00 0.00 56.10 55.66 2dm4 s TRP 55 Cb -0.14 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 2dm4 s TRP 55 CO -0.09 -0.03 0.04 0.00 0.02 0.00 0.00 176.95 176.90 2dm4 s ALA 56 N -0.35 3.15 -0.01 0.98 0.00 0.17 -4.89 121.76 120.81 2dm4 s ALA 56 Ca 0.03 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2dm4 s ALA 56 Cb -0.12 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 2dm4 s ALA 56 CO 0.02 -0.24 -0.08 -1.54 0.00 0.00 0.00 175.76 173.93 2dm4 s SER 57 N 1.15 4.55 -0.01 0.00 1.04 -1.26 -1.43 113.70 117.74 2dm4 s SER 57 Ca 0.04 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 2dm4 s SER 57 Cb -0.14 -1.06 0.03 0.00 0.10 0.00 0.00 66.02 64.95 2dm4 s SER 57 CO 0.03 0.30 0.36 0.00 0.98 0.00 0.00 173.24 174.90 2dm4 s GLN 58 N -1.25 0.73 0.32 4.02 -2.07 -1.05 -4.92 119.66 115.44 2dm4 s GLN 58 Ca 0.16 -0.16 -0.21 0.00 -1.82 0.00 0.00 55.36 53.33 2dm4 s GLN 58 Cb -0.11 0.33 -0.10 0.00 -1.09 0.00 0.00 33.01 32.04 2dm4 s GLN 58 CO 0.06 -0.21 0.85 1.03 -1.32 0.00 0.00 175.29 175.70 2dm4 s ARG 59 N -1.39 4.30 -0.10 9.60 3.00 -1.26 -0.95 118.95 132.15 2dm4 s ARG 59 Ca -0.13 1.04 0.00 0.00 0.00 0.00 0.00 55.73 56.64 2dm4 s ARG 59 Cb -0.04 -2.60 0.02 0.00 0.00 0.00 0.00 34.95 32.33 2dm4 s ARG 59 CO 0.04 0.21 -0.08 0.00 0.00 0.00 0.00 175.30 175.48 2dm4 s ALA 60 N -1.80 1.23 0.04 2.13 0.00 0.20 -4.95 121.76 118.61 2dm4 s ALA 60 Ca 0.52 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2dm4 s ALA 60 Cb -0.14 -0.80 -0.18 0.00 0.00 0.00 0.00 23.12 22.00 2dm4 s ALA 60 CO 0.19 -0.29 1.44 0.00 0.00 0.00 0.00 175.76 177.10 2dm4 h ALA 61 N 7.88 -0.81 -4.19 0.00 0.00 -1.87 -3.18 119.26 117.09 2dm4 h ALA 61 Ca -0.30 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.14 2dm4 h ALA 61 Cb 1.14 0.31 0.08 0.00 0.00 0.00 0.00 17.79 19.32 2dm4 h ALA 61 CO 0.41 -0.89 0.16 0.43 0.00 0.00 0.00 179.25 179.36 2dm4 n SER 62 N -5.39 0.46 -1.88 0.00 7.64 -1.26 -4.86 113.62 108.33 2dm4 n SER 62 Ca -0.12 -1.50 -0.11 0.00 1.01 0.00 0.00 58.87 58.15 2dm4 n SER 62 Cb 0.35 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.99 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 -3.21 5.66 -3.67 6.43 4.13 -1.26 -4.81 115.26 118.53 2dm4 n ASN 63 Ca 0.10 -2.66 -0.01 0.00 1.68 0.00 0.00 54.58 53.69 2dm4 n ASN 63 Cb 0.35 -1.23 -0.01 0.00 -1.54 0.00 0.00 39.78 37.35 2dm4 n ASN 63 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2dm4 s PHE 64 N -0.21 -0.07 0.27 3.10 -0.71 -1.26 -1.87 117.98 117.22 2dm4 s PHE 64 Ca 0.37 -0.14 -0.19 0.00 -1.04 0.00 0.00 56.93 55.93 2dm4 s PHE 64 Cb 0.21 0.60 0.02 0.00 -1.21 0.00 0.00 43.02 42.63 2dm4 s PHE 64 CO -0.03 -0.55 0.66 -0.08 -1.34 0.00 0.00 175.22 173.88 2dm4 s THR 65 N -2.77 0.00 -0.24 -4.49 -1.32 -0.75 -4.65 115.64 101.42 2dm4 s THR 65 Ca 0.14 -1.08 -0.00 0.00 -1.21 0.00 0.00 61.69 59.54 2dm4 s THR 65 Cb 0.02 -2.03 0.07 0.00 -1.51 0.00 0.00 72.50 69.04 2dm4 s THR 65 CO -0.01 -0.00 0.00 -1.61 -2.21 0.00 0.00 174.62 170.79 2dm4 s GLU 66 N -3.94 1.20 -0.63 7.08 2.02 -1.26 -2.15 118.70 121.02 2dm4 s GLU 66 Ca 0.13 -0.89 -0.22 0.00 0.02 0.00 0.00 54.97 54.01 2dm4 s GLU 66 Cb -0.05 -2.40 0.07 0.00 0.10 0.00 0.00 34.13 31.86 2dm4 s GLU 66 CO 0.07 -0.69 0.91 0.42 0.02 0.00 0.00 175.26 175.99 2dm4 s ILE 67 N 1.53 4.42 0.70 -1.63 1.01 0.12 -4.87 121.20 122.49 2dm4 s ILE 67 Ca -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2dm4 s ILE 67 Cb -0.18 -4.63 0.13 0.00 0.01 0.00 0.00 42.46 37.79 2dm4 s ILE 67 CO -0.10 -1.35 0.97 -0.54 0.00 0.00 0.00 174.94 173.92 2dm4 s LYS 68 N 3.80 1.73 -0.69 2.79 1.02 -1.26 -1.27 119.74 125.85 2dm4 s LYS 68 Ca 0.21 -1.31 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 2dm4 s LYS 68 Cb -0.18 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2dm4 s LYS 68 CO 0.10 -1.39 0.59 0.09 -0.92 0.00 0.00 175.35 173.83 2dm4 n ASN 69 N -2.74 -2.91 -4.74 2.83 3.02 -1.13 -4.95 115.26 104.64 2dm4 n ASN 69 Ca 0.16 -0.33 -0.24 0.00 -0.03 0.00 0.00 54.58 54.14 2dm4 n ASN 69 Cb 0.61 -3.04 -0.07 0.00 -0.61 0.00 0.00 39.78 36.67 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 -4.44 3.12 -0.31 3.41 1.43 -0.51 -5.07 118.68 116.31 2dm4 s LEU 70 Ca 0.12 -1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.06 2dm4 s LEU 70 Cb -0.05 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2dm4 s LEU 70 CO 0.40 -0.52 0.17 -0.76 0.23 0.00 0.00 176.35 175.88 2dm4 s LEU 71 N -3.90 4.19 0.35 1.79 1.43 -1.26 -4.51 118.68 116.77 2dm4 s LEU 71 Ca 0.41 -0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 2dm4 s LEU 71 Cb 0.03 -2.04 -0.13 0.00 0.03 0.00 0.00 46.19 44.08 2dm4 s LEU 71 CO 0.23 -0.19 0.72 1.33 0.23 0.00 0.00 176.35 178.67 2dm4 n VAL 72 N 5.01 1.94 -3.51 -1.59 0.24 -1.26 -2.28 118.33 116.88 2dm4 n VAL 72 Ca -0.14 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.34 61.47 2dm4 n VAL 72 Cb 0.49 -0.66 0.08 0.00 -1.47 0.00 0.00 33.84 32.28 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 1.28 -2.71 -3.84 -1.34 3.02 -0.92 -4.87 115.26 105.88 2dm4 n ASN 73 Ca 0.12 -0.64 -0.15 0.00 -0.03 0.00 0.00 54.58 53.87 2dm4 n ASN 73 Cb 0.35 -4.93 -0.15 0.00 -0.61 0.00 0.00 39.78 34.43 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 -3.39 0.13 -0.14 3.41 2.01 -0.96 -4.84 115.64 111.85 2dm4 s THR 74 Ca 0.12 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 2dm4 s THR 74 Cb -0.05 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2dm4 s THR 74 CO 0.74 0.10 1.58 -0.22 -0.69 0.00 0.00 174.62 176.13 2dm4 s LEU 75 N 0.69 4.13 -0.11 4.42 1.98 -1.26 -2.47 118.68 126.05 2dm4 s LEU 75 Ca -0.06 1.91 0.03 0.00 -2.89 0.00 0.00 54.13 53.11 2dm4 s LEU 75 Cb -0.09 -3.53 0.01 0.00 0.66 0.00 0.00 46.19 43.23 2dm4 s LEU 75 CO -0.01 -1.03 -0.21 -0.31 -1.89 0.00 0.00 176.35 172.89 2dm4 s TYR 76 N 4.42 2.41 -0.19 5.38 2.02 0.61 -0.84 117.35 131.16 2dm4 s TYR 76 Ca 0.70 -1.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.19 2dm4 s TYR 76 Cb -0.28 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 2dm4 s TYR 76 CO 0.27 -0.49 0.17 0.99 -1.57 0.00 0.00 175.55 174.92 2dm4 s THR 77 N 0.64 5.38 0.21 -0.71 2.01 -1.08 -2.13 115.64 119.96 2dm4 s THR 77 Ca -0.12 0.28 0.10 0.00 0.31 0.00 0.00 61.69 62.26 2dm4 s THR 77 Cb -0.16 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2dm4 s THR 77 CO 0.03 0.43 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.50 2dm4 s VAL 78 N 0.40 2.11 -0.20 3.82 1.01 -0.77 -1.67 120.40 125.08 2dm4 s VAL 78 Ca 0.10 -2.10 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 2dm4 s VAL 78 Cb -0.12 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2dm4 s VAL 78 CO -0.00 -0.32 0.52 0.00 0.00 0.00 0.00 175.10 175.30 2dm4 s ARG 79 N -3.05 0.57 -0.08 2.72 1.70 -0.44 -1.91 118.95 118.46 2dm4 s ARG 79 Ca 0.21 0.83 0.01 0.00 -0.47 0.00 0.00 55.73 56.31 2dm4 s ARG 79 Cb -0.05 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2dm4 s ARG 79 CO 0.09 -0.11 -0.08 0.08 -1.08 0.00 0.00 175.30 174.21 2dm4 s VAL 80 N 0.79 3.59 -0.02 4.99 1.01 -1.26 -0.77 120.40 128.74 2dm4 s VAL 80 Ca -0.04 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2dm4 s VAL 80 Cb -0.05 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2dm4 s VAL 80 CO -0.06 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.53 2dm4 s ALA 81 N -0.59 0.84 -0.08 5.51 0.00 -0.33 -1.09 121.76 126.02 2dm4 s ALA 81 Ca 0.09 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2dm4 s ALA 81 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2dm4 s ALA 81 CO 0.02 0.15 1.00 0.00 0.00 0.00 0.00 175.76 176.93 2dm4 s ALA 82 N 0.09 3.34 -0.04 0.00 0.00 -1.26 -1.56 121.76 122.33 2dm4 s ALA 82 Ca -0.01 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 2dm4 s ALA 82 Cb -0.07 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2dm4 s ALA 82 CO 0.00 -0.51 0.22 0.08 0.00 0.00 0.00 175.76 175.55 2dm4 s VAL 83 N 1.75 5.37 0.35 0.00 1.01 -0.69 -2.69 120.40 125.51 2dm4 s VAL 83 Ca 0.49 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.68 2dm4 s VAL 83 Cb -0.19 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2dm4 s VAL 83 CO 0.21 0.46 0.11 0.42 0.00 0.00 0.00 175.10 176.29 2dm4 s THR 84 N -1.20 0.73 0.26 3.92 -4.23 -0.22 -2.88 115.64 112.01 2dm4 s THR 84 Ca 0.23 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.65 2dm4 s THR 84 Cb -0.13 -2.53 0.42 0.00 1.34 0.00 0.00 72.50 71.60 2dm4 s THR 84 CO 0.12 0.00 1.50 -1.54 -0.54 0.00 0.00 174.62 174.16 2dm4 n SER 85 N -0.99 -0.38 0.20 3.99 3.41 -1.25 -1.52 113.62 117.08 2dm4 n SER 85 Ca -0.03 1.65 -0.08 0.00 -0.26 0.00 0.00 58.87 60.15 2dm4 n SER 85 Cb 0.66 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 2dm4 n SER 85 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dm4 h ARG 86 N 0.00 -0.50 0.00 4.33 9.65 -1.94 -3.50 114.38 122.42 2dm4 h ARG 86 Ca 0.44 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.36 2dm4 h ARG 86 Cb 0.68 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 2dm4 h ARG 86 CO -0.98 -0.33 0.00 0.41 2.80 0.00 0.00 179.97 181.87 2dm4 n GLY 87 N -0.93 -0.73 3.77 2.80 0.00 -0.58 -5.15 105.19 104.38 2dm4 n GLY 87 Ca -0.06 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.72 3.76 0.00 -0.61 1.01 -1.26 -1.06 121.20 119.31 2dm4 s ILE 88 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2dm4 s ILE 88 Cb 0.00 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.62 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 0.68 3.70 3.64 6.18 0.00 -1.09 -4.96 105.19 113.34 2dm4 n GLY 89 Ca 0.02 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2dm4 n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dm4 n ASN 90 N 0.00 0.06 -4.66 1.61 0.23 -1.26 -4.86 115.26 106.38 2dm4 n ASN 90 Ca 0.00 0.39 -0.33 0.00 -0.53 0.00 0.00 54.58 54.11 2dm4 n ASN 90 Cb 0.00 -1.45 -0.09 0.00 -2.08 0.00 0.00 39.78 36.16 2dm4 n ASN 90 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 2dm4 s TRP 91 N -2.61 3.06 0.87 -2.53 0.52 -1.26 -4.18 118.94 112.81 2dm4 s TRP 91 Ca 0.66 0.09 -0.11 0.00 0.02 0.00 0.00 56.10 56.76 2dm4 s TRP 91 Cb -0.23 -1.70 0.11 0.00 -1.15 0.00 0.00 33.47 30.51 2dm4 s TRP 91 CO 0.59 0.44 1.09 -1.54 0.02 0.00 0.00 176.95 177.55 2dm4 s SER 92 N -1.29 3.70 -0.78 2.95 1.04 -0.25 -4.84 113.70 114.21 2dm4 s SER 92 Ca 0.17 1.54 -0.26 0.00 0.48 0.00 0.00 55.95 57.88 2dm4 s SER 92 Cb -0.11 -2.22 -0.12 0.00 0.10 0.00 0.00 66.02 63.66 2dm4 s SER 92 CO 0.07 -2.50 2.35 -1.81 0.98 0.00 0.00 173.24 172.33 2dm4 s ASP 93 N -3.44 4.07 0.00 7.02 1.01 -1.26 -4.67 116.67 119.41 2dm4 s ASP 93 Ca 0.63 0.03 -0.39 0.00 0.71 0.00 0.00 52.55 53.53 2dm4 s ASP 93 Cb -0.18 -2.55 -0.18 0.00 1.01 0.00 0.00 42.92 41.02 2dm4 s ASP 93 CO 0.57 -3.68 1.27 -1.20 0.21 0.00 0.00 175.17 172.33 2dm4 n SER 94 N 17.93 1.00 -4.70 0.27 7.64 -1.26 -4.95 113.62 129.55 2dm4 n SER 94 Ca 0.45 1.14 -0.23 0.00 1.01 0.00 0.00 58.87 61.24 2dm4 n SER 94 Cb 0.44 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.52 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dm4 s LYS 95 N 0.59 2.45 0.05 1.43 -0.14 -0.80 -4.93 119.74 118.40 2dm4 s LYS 95 Ca 0.89 -1.36 0.08 0.00 -1.36 0.00 0.00 55.97 54.22 2dm4 s LYS 95 Cb -1.11 -2.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 2dm4 s LYS 95 CO 0.54 0.32 -0.19 -1.54 -0.76 0.00 0.00 175.35 173.72 2dm4 s SER 96 N -3.75 3.74 -0.11 2.83 1.04 -1.26 -1.85 113.70 114.34 2dm4 s SER 96 Ca 0.33 -0.47 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 2dm4 s SER 96 Cb -0.06 -0.56 0.03 0.00 0.10 0.00 0.00 66.02 65.53 2dm4 s SER 96 CO 0.22 0.24 0.36 -0.51 0.98 0.00 0.00 173.24 174.53 2dm4 s ILE 97 N -0.95 0.01 -0.37 -1.02 2.07 -0.90 -4.97 121.20 115.07 2dm4 s ILE 97 Ca 0.15 -0.11 -0.11 0.00 -1.41 0.00 0.00 60.65 59.16 2dm4 s ILE 97 Cb -0.10 -0.54 0.02 0.00 0.13 0.00 0.00 42.46 41.97 2dm4 s ILE 97 CO 0.06 -0.06 0.21 -0.89 -1.91 0.00 0.00 174.94 172.34 2dm4 s THR 98 N -0.19 4.63 1.09 4.00 2.01 -1.26 -0.28 115.64 125.64 2dm4 s THR 98 Ca -0.03 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 2dm4 s THR 98 Cb -0.03 -3.57 0.12 0.00 0.01 0.00 0.00 72.50 69.03 2dm4 s THR 98 CO 0.02 -0.22 0.27 0.35 -0.69 0.00 0.00 174.62 174.35 2dm4 n THR 99 N 5.01 0.00 -4.56 -0.82 -2.24 -1.03 -4.78 114.28 105.85 2dm4 n THR 99 Ca -0.12 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 2dm4 n THR 99 Cb 0.46 -0.68 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.30 1.66 -1.19 2.28 -4.36 -1.26 -2.16 121.20 113.86 2dm4 s ILE 100 Ca 0.58 -1.26 -0.12 0.00 -0.26 0.00 0.00 60.65 59.59 2dm4 s ILE 100 Cb -0.16 -1.46 0.20 0.00 1.25 0.00 0.00 42.46 42.29 2dm4 s ILE 100 CO 0.66 0.15 1.39 1.17 0.24 0.00 0.00 174.94 178.54 2dm4 n LYS 101 N 1.70 3.44 0.00 0.37 4.81 -1.26 -4.48 118.16 122.74 2dm4 n LYS 101 Ca -0.18 -3.99 0.00 0.00 -0.87 0.00 0.00 58.31 53.28 2dm4 n LYS 101 Cb 0.53 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.67 2dm4 n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dm4 n GLY 102 N 3.67 -2.05 3.10 3.14 0.00 -1.26 -4.98 105.19 106.81 2dm4 n GLY 102 Ca 0.34 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 2dm4 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 103 N -3.74 -0.23 0.00 1.61 1.04 -1.26 -5.03 113.70 106.09 2dm4 s SER 103 Ca 0.00 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2dm4 s SER 103 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2dm4 s SER 103 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2dm4 n GLY 104 N 4.44 0.65 0.15 7.32 0.00 -1.26 -5.01 105.19 111.49 2dm4 n GLY 104 Ca -0.22 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.00 -5.38 1.61 0.13 -1.99 -3.42 132.00 122.95 2dm4 h PRO 105 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2dm4 h PRO 105 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 2dm4 h PRO 105 CO 0.00 0.00 -0.87 -1.54 -0.23 0.00 0.00 178.00 175.36 2dm4 s SER 106 N -4.47 2.78 1.10 1.44 1.04 -1.26 -5.13 113.70 109.19 2dm4 s SER 106 Ca 0.04 -0.48 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 2dm4 s SER 106 Cb 0.09 -1.09 0.21 0.00 0.10 0.00 0.00 66.02 65.34 2dm4 s SER 106 CO 0.41 0.16 0.85 -1.20 0.98 0.00 0.00 173.24 174.45 2dm4 n SER 107 N 3.38 -1.39 0.00 7.02 7.64 -1.26 -5.22 113.62 123.79 2dm4 n SER 107 Ca -0.19 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2dm4 n SER 107 Cb 0.53 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2dm4 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64